smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000166695666 529651998 /nfs/dbraw/zinc/65/19/98/529651998.db2.gz JKGCEVFMSIYYFJ-UGSOOPFHSA-N 2 1 283.419 4.020 20 0 CIADMP CC[C@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000166695840 529667034 /nfs/dbraw/zinc/66/70/34/529667034.db2.gz JKGCEVFMSIYYFJ-ACJLOTCBSA-N 2 1 283.419 4.020 20 0 CIADMP Cc1nccn1CCCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347598161 226213388 /nfs/dbraw/zinc/21/33/88/226213388.db2.gz KBYWEDFJLSALFY-RDJZCZTQSA-N 2 1 291.483 4.118 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347598161 226213393 /nfs/dbraw/zinc/21/33/93/226213393.db2.gz KBYWEDFJLSALFY-RDJZCZTQSA-N 2 1 291.483 4.118 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@@H]1C ZINC000347598161 226213394 /nfs/dbraw/zinc/21/33/94/226213394.db2.gz KBYWEDFJLSALFY-RDJZCZTQSA-N 2 1 291.483 4.118 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000525488589 260200785 /nfs/dbraw/zinc/20/07/85/260200785.db2.gz YLKPBWYKHYQOCM-PBHICJAKSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000525488589 260200787 /nfs/dbraw/zinc/20/07/87/260200787.db2.gz YLKPBWYKHYQOCM-PBHICJAKSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000525488589 260200789 /nfs/dbraw/zinc/20/07/89/260200789.db2.gz YLKPBWYKHYQOCM-PBHICJAKSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000525488589 260200790 /nfs/dbraw/zinc/20/07/90/260200790.db2.gz YLKPBWYKHYQOCM-PBHICJAKSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525488589 260200792 /nfs/dbraw/zinc/20/07/92/260200792.db2.gz YLKPBWYKHYQOCM-PBHICJAKSA-N 2 1 294.870 4.065 20 0 CIADMP CC(C)[N@H+](C)CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000319003908 262147517 /nfs/dbraw/zinc/14/75/17/262147517.db2.gz QTWRVHLEIVQFQY-UHFFFAOYSA-N 2 1 296.458 4.096 20 0 CIADMP CC(C)[N@@H+](C)CCC[NH2+]C(c1ccccc1)c1ccccc1 ZINC000319003908 262147518 /nfs/dbraw/zinc/14/75/18/262147518.db2.gz QTWRVHLEIVQFQY-UHFFFAOYSA-N 2 1 296.458 4.096 20 0 CIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221913456 262323124 /nfs/dbraw/zinc/32/31/24/262323124.db2.gz LUBGUCKJTHPLQB-HNNXBMFYSA-N 2 1 288.435 4.122 20 0 CIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221913456 262323125 /nfs/dbraw/zinc/32/31/25/262323125.db2.gz LUBGUCKJTHPLQB-HNNXBMFYSA-N 2 1 288.435 4.122 20 0 CIADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCC2)cc1 ZINC000186957877 262332131 /nfs/dbraw/zinc/33/21/31/262332131.db2.gz OVNWSAVHNHZCLJ-FQEVSTJZSA-N 2 1 298.474 4.053 20 0 CIADMP CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390767702 262338690 /nfs/dbraw/zinc/33/86/90/262338690.db2.gz JDVPBGDSEOZYTE-IEBWSBKVSA-N 2 1 288.479 4.067 20 0 CIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000187801577 263269065 /nfs/dbraw/zinc/26/90/65/263269065.db2.gz MEACLSHVGWRLTK-QWFCFKBJSA-N 2 1 298.474 4.014 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1C1CCCCC1 ZINC000119253099 267313076 /nfs/dbraw/zinc/31/30/76/267313076.db2.gz PTUUXLOTNSCQHC-SFHVURJKSA-N 2 1 289.467 4.016 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000119253099 267313077 /nfs/dbraw/zinc/31/30/77/267313077.db2.gz PTUUXLOTNSCQHC-SFHVURJKSA-N 2 1 289.467 4.016 20 0 CIADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C(C)C ZINC000531937334 328321910 /nfs/dbraw/zinc/32/19/10/328321910.db2.gz CNKPFFJYRILVPG-SFHVURJKSA-N 2 1 276.468 4.051 20 0 CIADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)cc1C ZINC000520950065 327191439 /nfs/dbraw/zinc/19/14/39/327191439.db2.gz FPWSUFSABHNUKS-GOSISDBHSA-N 2 1 288.479 4.048 20 0 CIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2(CF)CCC2)CC1 ZINC000583382200 327335382 /nfs/dbraw/zinc/33/53/82/327335382.db2.gz OPJAVPHIMXPUNU-UHFFFAOYSA-N 2 1 298.490 4.147 20 0 CIADMP CCC(C)(C)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000583408400 327349506 /nfs/dbraw/zinc/34/95/06/327349506.db2.gz WARZNRGFNKJLLM-HZPDHXFCSA-N 2 1 280.500 4.055 20 0 CIADMP CC(C)CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccoc1 ZINC000428450105 327374614 /nfs/dbraw/zinc/37/46/14/327374614.db2.gz WBJKKFODOLQQGA-SFHVURJKSA-N 2 1 292.467 4.219 20 0 CIADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)c(F)c1 ZINC000536625238 328669746 /nfs/dbraw/zinc/66/97/46/328669746.db2.gz FLRTXSWSHOESMB-IACUBPJLSA-N 2 1 298.833 4.003 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CC1CC1)c1ccccc1 ZINC000532522322 328784348 /nfs/dbraw/zinc/78/43/48/328784348.db2.gz HUKRYQUGIVXGIQ-LJQANCHMSA-N 2 1 297.446 4.103 20 0 CIADMP C[C@@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccsc1 ZINC000178160069 329196906 /nfs/dbraw/zinc/19/69/06/329196906.db2.gz IDCYLFFRLWJOBT-CQSZACIVSA-N 2 1 292.492 4.053 20 0 CIADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582928633 329286075 /nfs/dbraw/zinc/28/60/75/329286075.db2.gz PBVFFUQFFRAZFK-WNRNVDISSA-N 2 1 294.527 4.444 20 0 CIADMP CCCC[C@H](C)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582928632 329286244 /nfs/dbraw/zinc/28/62/44/329286244.db2.gz PBVFFUQFFRAZFK-FJIDUMEYSA-N 2 1 294.527 4.444 20 0 CIADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379621056 330143342 /nfs/dbraw/zinc/14/33/42/330143342.db2.gz DWDWWJARBLYPIH-NEWSRXKRSA-N 2 1 288.479 4.208 20 0 CIADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379621056 330143344 /nfs/dbraw/zinc/14/33/44/330143344.db2.gz DWDWWJARBLYPIH-NEWSRXKRSA-N 2 1 288.479 4.208 20 0 CIADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379628653 330144535 /nfs/dbraw/zinc/14/45/35/330144535.db2.gz NUWVCVGAQRIZJK-FUHWJXTLSA-N 2 1 288.479 4.065 20 0 CIADMP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379628653 330144537 /nfs/dbraw/zinc/14/45/37/330144537.db2.gz NUWVCVGAQRIZJK-FUHWJXTLSA-N 2 1 288.479 4.065 20 0 CIADMP Cc1ccccc1[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000422715528 330151778 /nfs/dbraw/zinc/15/17/78/330151778.db2.gz SHFPPJZZXNOBBB-VAMGGRTRSA-N 2 1 292.426 4.181 20 0 CIADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(C2CC2)c1 ZINC000423142705 330172615 /nfs/dbraw/zinc/17/26/15/330172615.db2.gz BGOXKKRVVJWPGR-QTJFZDIUSA-N 2 1 292.426 4.359 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000536860288 330252728 /nfs/dbraw/zinc/25/27/28/330252728.db2.gz WVRSDJUYNULIJW-LXZKKBNFSA-N 2 1 294.508 4.298 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccs1 ZINC000536860288 330252729 /nfs/dbraw/zinc/25/27/29/330252729.db2.gz WVRSDJUYNULIJW-LXZKKBNFSA-N 2 1 294.508 4.298 20 0 CIADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+](C(C)C)C(C)C)c(C)o1 ZINC000447563195 330870249 /nfs/dbraw/zinc/87/02/49/330870249.db2.gz OUOWDJVXPIGIOV-OAHLLOKOSA-N 2 1 280.456 4.056 20 0 CIADMP Cc1ccc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)oc2c1 ZINC000453367984 331123694 /nfs/dbraw/zinc/12/36/94/331123694.db2.gz UGJAPZIJWJUFOV-LNRIEFBSSA-N 2 1 298.430 4.017 20 0 CIADMP Cc1ccc2cc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)oc2c1 ZINC000453367984 331123695 /nfs/dbraw/zinc/12/36/95/331123695.db2.gz UGJAPZIJWJUFOV-LNRIEFBSSA-N 2 1 298.430 4.017 20 0 CIADMP CC(C)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)C(C)(C)C ZINC000453377838 331125301 /nfs/dbraw/zinc/12/53/01/331125301.db2.gz ZCLUQSVAHRMYBC-HMQMGEFJSA-N 2 1 280.500 4.052 20 0 CIADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453404154 331129080 /nfs/dbraw/zinc/12/90/80/331129080.db2.gz PDAZTHZAKVDRGK-BEFAXECRSA-N 2 1 286.463 4.089 20 0 CIADMP C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459468474 331283151 /nfs/dbraw/zinc/28/31/51/331283151.db2.gz QTAVZFCWFZLAPX-NUWOQIAWSA-N 2 1 292.511 4.054 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000464787808 331368258 /nfs/dbraw/zinc/36/82/58/331368258.db2.gz FMSOQWKJLNKEFV-YOEHRIQHSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000464787808 331368259 /nfs/dbraw/zinc/36/82/59/331368259.db2.gz FMSOQWKJLNKEFV-YOEHRIQHSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000464787808 331368260 /nfs/dbraw/zinc/36/82/60/331368260.db2.gz FMSOQWKJLNKEFV-YOEHRIQHSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000464787808 331368261 /nfs/dbraw/zinc/36/82/61/331368261.db2.gz FMSOQWKJLNKEFV-YOEHRIQHSA-N 2 1 294.870 4.065 20 0 CIADMP CCCC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309711116 333047862 /nfs/dbraw/zinc/04/78/62/333047862.db2.gz KAGFGLDIZNNGCY-JENIJYKNSA-N 2 1 288.479 4.065 20 0 CIADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1Cl ZINC000523851274 333347790 /nfs/dbraw/zinc/34/77/90/333347790.db2.gz NAVWKPSPAWEAPW-CJNGLKHVSA-N 2 1 296.886 4.357 20 0 CIADMP CCC(CC)[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000546606802 334040027 /nfs/dbraw/zinc/04/00/27/334040027.db2.gz GYNZIQBMLJCAOW-AEFFLSMTSA-N 2 1 288.479 4.065 20 0 CIADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550587771 334224737 /nfs/dbraw/zinc/22/47/37/334224737.db2.gz DEGGYPUIHLDAEL-WDSOQIARSA-N 2 1 288.479 4.236 20 0 CIADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550587771 334224738 /nfs/dbraw/zinc/22/47/38/334224738.db2.gz DEGGYPUIHLDAEL-WDSOQIARSA-N 2 1 288.479 4.236 20 0 CIADMP CC(C)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000550889381 334232106 /nfs/dbraw/zinc/23/21/06/334232106.db2.gz AZBYKLDYOHXEPZ-UHFFFAOYSA-N 2 1 288.479 4.065 20 0 CIADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247042423 334274513 /nfs/dbraw/zinc/27/45/13/334274513.db2.gz REGZCUOJBDZGCQ-QZTJIDSGSA-N 2 1 286.463 4.006 20 0 CIADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250581672 334346668 /nfs/dbraw/zinc/34/66/68/334346668.db2.gz VZRGLFPZFNLHJE-IPELMVKDSA-N 2 1 286.463 4.087 20 0 CIADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccs1 ZINC000252367696 334378451 /nfs/dbraw/zinc/37/84/51/334378451.db2.gz BPURHOFCJHXMOS-CABCVRRESA-N 2 1 280.481 4.053 20 0 CIADMP CCC[C@@H]1C[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000578264497 335593637 /nfs/dbraw/zinc/59/36/37/335593637.db2.gz XZRCYEJDXYZITF-MZMPZRCHSA-N 2 1 283.419 4.020 20 0 CIADMP CCC[N@@H+](CCCc1cncn1C)[C@@H](CC)c1ccccc1 ZINC000581318242 336047824 /nfs/dbraw/zinc/04/78/24/336047824.db2.gz HPXMEFWZVSGBJT-IBGZPJMESA-N 2 1 299.462 4.216 20 0 CIADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H](CC)c1ccccc1 ZINC000581318242 336047826 /nfs/dbraw/zinc/04/78/26/336047826.db2.gz HPXMEFWZVSGBJT-IBGZPJMESA-N 2 1 299.462 4.216 20 0 CIADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](CC)c1ccccc1 ZINC000581318242 336047828 /nfs/dbraw/zinc/04/78/28/336047828.db2.gz HPXMEFWZVSGBJT-IBGZPJMESA-N 2 1 299.462 4.216 20 0 CIADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000037140994 522563981 /nfs/dbraw/zinc/56/39/81/522563981.db2.gz SDTJIBLXBLDBND-KRWDZBQOSA-N 2 1 292.854 4.008 20 0 CIADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000037141015 522564583 /nfs/dbraw/zinc/56/45/83/522564583.db2.gz UYOJSGKDJUGUTF-KRWDZBQOSA-N 2 1 292.854 4.008 20 0 CIADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000037141016 522811490 /nfs/dbraw/zinc/81/14/90/522811490.db2.gz UYOJSGKDJUGUTF-QGZVFWFLSA-N 2 1 292.854 4.008 20 0 CIADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000157476614 525584636 /nfs/dbraw/zinc/58/46/36/525584636.db2.gz OUMIJFGDLNWFCK-YMRXKLBXSA-N 2 1 286.806 4.135 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](CC)c1ccccc1 ZINC000191471530 528864775 /nfs/dbraw/zinc/86/47/75/528864775.db2.gz PYZDXOMLXIFMLJ-SFHVURJKSA-N 2 1 299.462 4.309 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](CC)c1ccccc1 ZINC000191471530 528864780 /nfs/dbraw/zinc/86/47/80/528864780.db2.gz PYZDXOMLXIFMLJ-SFHVURJKSA-N 2 1 299.462 4.309 20 0 CIADMP CC(C)[NH+](CCC[NH2+]Cc1ccc2occc2c1)C(C)C ZINC000352754140 528885784 /nfs/dbraw/zinc/88/57/84/528885784.db2.gz GSCWZWPKXPGKDC-UHFFFAOYSA-N 2 1 288.435 4.031 20 0 CIADMP CC[C@@H]([NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000166695760 529199917 /nfs/dbraw/zinc/19/99/17/529199917.db2.gz JKGCEVFMSIYYFJ-SCLBCKFNSA-N 2 1 283.419 4.020 20 0 CIADMP CC[C@@H]([NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)C1CC1 ZINC000166695918 529205792 /nfs/dbraw/zinc/20/57/92/529205792.db2.gz JKGCEVFMSIYYFJ-FZKQIMNGSA-N 2 1 283.419 4.020 20 0 CIADMP Cc1ccc(CCC[N@H+]2CCC[C@H]2c2cccs2)cn1 ZINC000353380146 228093111 /nfs/dbraw/zinc/09/31/11/228093111.db2.gz KCMLFPBMZWQWCS-INIZCTEOSA-N 2 1 286.444 4.221 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000090720982 260392928 /nfs/dbraw/zinc/39/29/28/260392928.db2.gz IYDMYUAHISARBY-RDHHWEPZSA-N 2 1 280.500 4.054 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000090720982 260392929 /nfs/dbraw/zinc/39/29/29/260392929.db2.gz IYDMYUAHISARBY-RDHHWEPZSA-N 2 1 280.500 4.054 20 0 CIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2ccccc2s1 ZINC000177985335 261374563 /nfs/dbraw/zinc/37/45/63/261374563.db2.gz WLGANAPJGFASLV-KCQAQPDRSA-N 2 1 288.460 4.035 20 0 CIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2ccccc2s1 ZINC000177985335 261374566 /nfs/dbraw/zinc/37/45/66/261374566.db2.gz WLGANAPJGFASLV-KCQAQPDRSA-N 2 1 288.460 4.035 20 0 CIADMP CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390767700 262338496 /nfs/dbraw/zinc/33/84/96/262338496.db2.gz JDVPBGDSEOZYTE-HKUYNNGSSA-N 2 1 288.479 4.067 20 0 CIADMP CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390767706 262338582 /nfs/dbraw/zinc/33/85/82/262338582.db2.gz JDVPBGDSEOZYTE-PKOBYXMFSA-N 2 1 288.479 4.067 20 0 CIADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3C[C@H]3C3CCCCC3)CC[NH2+]2)cc1 ZINC000415109986 263273256 /nfs/dbraw/zinc/27/32/56/263273256.db2.gz PTFXGHSKFDYKMV-FYQPLNBISA-N 2 1 298.474 4.038 20 0 CIADMP Cc1cccc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000521244834 265109441 /nfs/dbraw/zinc/10/94/41/265109441.db2.gz QEDOYISQJYIWBE-QGZVFWFLSA-N 2 1 288.479 4.108 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358150735 266429099 /nfs/dbraw/zinc/42/90/99/266429099.db2.gz GQHCMJPZBIZYDQ-KKUMJFAQSA-N 2 1 285.435 4.266 20 0 CIADMP CCC[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccsc1 ZINC000187768655 328302108 /nfs/dbraw/zinc/30/21/08/328302108.db2.gz QFFSOKSQJQOOEE-MRXNPFEDSA-N 2 1 294.508 4.442 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000164682400 328433049 /nfs/dbraw/zinc/43/30/49/328433049.db2.gz QLQHIJYDXTZKOG-LJQANCHMSA-N 2 1 297.446 4.029 20 0 CIADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(C)cc1 ZINC000088163971 327016785 /nfs/dbraw/zinc/01/67/85/327016785.db2.gz VWGBWIJPVQEHHC-XVLXNVKGSA-N 2 1 286.463 4.051 20 0 CIADMP CC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(C)cc1 ZINC000088163971 327016786 /nfs/dbraw/zinc/01/67/86/327016786.db2.gz VWGBWIJPVQEHHC-XVLXNVKGSA-N 2 1 286.463 4.051 20 0 CIADMP CCC(CC)C[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000409444717 327161775 /nfs/dbraw/zinc/16/17/75/327161775.db2.gz HBYNNJKHTOELRV-UHFFFAOYSA-N 2 1 288.479 4.019 20 0 CIADMP CCC(CC)C[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000409444717 327161776 /nfs/dbraw/zinc/16/17/76/327161776.db2.gz HBYNNJKHTOELRV-UHFFFAOYSA-N 2 1 288.479 4.019 20 0 CIADMP CCCC[N@H+](CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000559479620 327248159 /nfs/dbraw/zinc/24/81/59/327248159.db2.gz KJIRDRMAYPYLFS-UHFFFAOYSA-N 2 1 277.456 4.016 20 0 CIADMP CCCC[N@@H+](CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000559479620 327248160 /nfs/dbraw/zinc/24/81/60/327248160.db2.gz KJIRDRMAYPYLFS-UHFFFAOYSA-N 2 1 277.456 4.016 20 0 CIADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(Cl)c(F)c1 ZINC000536625240 328669734 /nfs/dbraw/zinc/66/97/34/328669734.db2.gz FLRTXSWSHOESMB-YUTCNCBUSA-N 2 1 298.833 4.003 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000178703677 329202697 /nfs/dbraw/zinc/20/26/97/329202697.db2.gz MLAAZOGOLJSQHI-ZRGWGRIASA-N 2 1 297.446 4.056 20 0 CIADMP C[C@@H]([NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccsc1 ZINC000183184093 329245168 /nfs/dbraw/zinc/24/51/68/329245168.db2.gz UHDQSROERUAYHE-RBSFLKMASA-N 2 1 292.492 4.052 20 0 CIADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000422779736 330154993 /nfs/dbraw/zinc/15/49/93/330154993.db2.gz IUHAHLFAPIPOJT-KFKAGJAMSA-N 2 1 286.463 4.038 20 0 CIADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(C2CC2)c1 ZINC000423142706 330172523 /nfs/dbraw/zinc/17/25/23/330172523.db2.gz BGOXKKRVVJWPGR-SVIJTADQSA-N 2 1 292.426 4.359 20 0 CIADMP CCC(C)(C)C1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000035054405 330242286 /nfs/dbraw/zinc/24/22/86/330242286.db2.gz RVBRURWHVSAJJS-UHFFFAOYSA-N 2 1 292.511 4.198 20 0 CIADMP CC(C)[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C1CC1 ZINC000536855738 330252163 /nfs/dbraw/zinc/25/21/63/330252163.db2.gz BSAQHHNEGPOFMM-LJQANCHMSA-N 2 1 288.479 4.051 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccs1 ZINC000536860293 330252735 /nfs/dbraw/zinc/25/27/35/330252735.db2.gz WVRSDJUYNULIJW-UNEWFSDZSA-N 2 1 294.508 4.298 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccs1 ZINC000536860293 330252736 /nfs/dbraw/zinc/25/27/36/330252736.db2.gz WVRSDJUYNULIJW-UNEWFSDZSA-N 2 1 294.508 4.298 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(C(C)C)c1 ZINC000527854239 330288574 /nfs/dbraw/zinc/28/85/74/330288574.db2.gz WJIIFKPDTUWLFU-OAHLLOKOSA-N 2 1 285.435 4.056 20 0 CIADMP CC[C@H](C)c1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000527856750 330288969 /nfs/dbraw/zinc/28/89/69/330288969.db2.gz WNWKBEYQZBFCMB-GJZGRUSLSA-N 2 1 285.435 4.056 20 0 CIADMP CCC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044534219 330329694 /nfs/dbraw/zinc/32/96/94/330329694.db2.gz CKEZPZSIECDXFF-RHSMWYFYSA-N 2 1 294.870 4.113 20 0 CIADMP CC(C)[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000536998892 330375386 /nfs/dbraw/zinc/37/53/86/330375386.db2.gz PGMMGDAUSKUUCW-HKUYNNGSSA-N 2 1 288.479 4.094 20 0 CIADMP CC(C)[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000536998894 330375468 /nfs/dbraw/zinc/37/54/68/330375468.db2.gz PGMMGDAUSKUUCW-MJGOQNOKSA-N 2 1 288.479 4.094 20 0 CIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@@H](C)c3ccsc32)C1 ZINC000453097108 331088891 /nfs/dbraw/zinc/08/88/91/331088891.db2.gz OMZNYFKFYYWIJV-FMKPAKJESA-N 2 1 292.492 4.008 20 0 CIADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000453167930 331096489 /nfs/dbraw/zinc/09/64/89/331096489.db2.gz JGUAQVCHIOLLBS-NVXWUHKLSA-N 2 1 294.508 4.157 20 0 CIADMP CC(C)C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccs1 ZINC000453397645 331128131 /nfs/dbraw/zinc/12/81/31/331128131.db2.gz JULSZUMBQATFRU-MRXNPFEDSA-N 2 1 294.508 4.299 20 0 CIADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc2ccccc21 ZINC000453405712 331129366 /nfs/dbraw/zinc/12/93/66/331129366.db2.gz CCTXGEMZRYACQR-MRXNPFEDSA-N 2 1 296.458 4.365 20 0 CIADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000459345556 331277260 /nfs/dbraw/zinc/27/72/60/331277260.db2.gz NPEQIASYFMNHRP-HXUWFJFHSA-N 2 1 298.474 4.014 20 0 CIADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000462691803 331325271 /nfs/dbraw/zinc/32/52/71/331325271.db2.gz ZKWKFLPVCRPYGM-RCCFBDPRSA-N 2 1 280.500 4.057 20 0 CIADMP CCCCc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000511020381 332924670 /nfs/dbraw/zinc/92/46/70/332924670.db2.gz XPLPPBZKHCVHML-INIZCTEOSA-N 2 1 299.462 4.275 20 0 CIADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-c2ccccc2)o1 ZINC000480142236 331759398 /nfs/dbraw/zinc/75/93/98/331759398.db2.gz AZKXIZFXRPCMDA-INIZCTEOSA-N 2 1 298.430 4.083 20 0 CIADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(-c2ccccc2)o1 ZINC000480142237 331759402 /nfs/dbraw/zinc/75/94/02/331759402.db2.gz AZKXIZFXRPCMDA-MRXNPFEDSA-N 2 1 298.430 4.083 20 0 CIADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1C)C1CCCC1 ZINC000495066216 332502828 /nfs/dbraw/zinc/50/28/28/332502828.db2.gz GUQKTCDHESKHEO-LJQANCHMSA-N 2 1 297.446 4.021 20 0 CIADMP Cc1ccncc1CCC[N@H+](C)Cc1cc2ccccc2o1 ZINC000522035191 333230982 /nfs/dbraw/zinc/23/09/82/333230982.db2.gz OGVUHUMWYNRAQE-UHFFFAOYSA-N 2 1 294.398 4.201 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cccs2)C2CCCC2)CC[N@@H+]1C ZINC000227404242 333282384 /nfs/dbraw/zinc/28/23/84/333282384.db2.gz AUMGZHWFJNAXMJ-UNEWFSDZSA-N 2 1 292.492 4.052 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H](c2cccs2)C2CCCC2)CC[N@H+]1C ZINC000227404242 333282385 /nfs/dbraw/zinc/28/23/85/333282385.db2.gz AUMGZHWFJNAXMJ-UNEWFSDZSA-N 2 1 292.492 4.052 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCC(C)C)C(C)(C)C ZINC000539490564 333673130 /nfs/dbraw/zinc/67/31/30/333673130.db2.gz FMECDQNCVVHOKK-QGZVFWFLSA-N 2 1 293.499 4.412 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000540390668 333728021 /nfs/dbraw/zinc/72/80/21/333728021.db2.gz GCFUMYJHYJSSOG-GOSISDBHSA-N 2 1 299.462 4.267 20 0 CIADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN([C@H]2C=CCCCCC2)C1 ZINC000549527987 334196230 /nfs/dbraw/zinc/19/62/30/334196230.db2.gz ZGDGGPSISJGAKI-ZSYWTGECSA-N 2 1 290.495 4.213 20 0 CIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000550701319 334227264 /nfs/dbraw/zinc/22/72/64/334227264.db2.gz YRKFXCXMJCKZHX-DBVUQKKJSA-N 2 1 294.442 4.173 20 0 CIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000550701319 334227265 /nfs/dbraw/zinc/22/72/65/334227265.db2.gz YRKFXCXMJCKZHX-DBVUQKKJSA-N 2 1 294.442 4.173 20 0 CIADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000247920190 334291474 /nfs/dbraw/zinc/29/14/74/334291474.db2.gz BAZRQCIOOSVGPC-KEYYUXOJSA-N 2 1 294.870 4.109 20 0 CIADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000247920190 334291476 /nfs/dbraw/zinc/29/14/76/334291476.db2.gz BAZRQCIOOSVGPC-KEYYUXOJSA-N 2 1 294.870 4.109 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H](CC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000252183407 334376014 /nfs/dbraw/zinc/37/60/14/334376014.db2.gz TYJGJEGNASHZKE-KBAYOESNSA-N 2 1 288.479 4.236 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H](CC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC000252183407 334376016 /nfs/dbraw/zinc/37/60/16/334376016.db2.gz TYJGJEGNASHZKE-KBAYOESNSA-N 2 1 288.479 4.236 20 0 CIADMP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000182150953 335801519 /nfs/dbraw/zinc/80/15/19/335801519.db2.gz HNDFFPJEODCPML-MRXNPFEDSA-N 2 1 288.479 4.333 20 0 CIADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000382129481 336082167 /nfs/dbraw/zinc/08/21/67/336082167.db2.gz OJFOXQUNPGGOQS-ZBFHGGJFSA-N 2 1 280.481 4.053 20 0 CIADMP Cc1ccccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000480628905 518191113 /nfs/dbraw/zinc/19/11/13/518191113.db2.gz BPDGMYJOGHOSSD-FUHWJXTLSA-N 2 1 288.479 4.158 20 0 CIADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157431183 519836346 /nfs/dbraw/zinc/83/63/46/519836346.db2.gz VEHUCKFTMVKZTC-OALUTQOASA-N 2 1 280.415 4.044 20 0 CIADMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000157431339 519836362 /nfs/dbraw/zinc/83/63/62/519836362.db2.gz VEHUCKFTMVKZTC-RTBURBONSA-N 2 1 280.415 4.044 20 0 CIADMP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000128088285 520409080 /nfs/dbraw/zinc/40/90/80/520409080.db2.gz QDVWYNVMVWLRBW-FCEWJHQRSA-N 2 1 298.474 4.016 20 0 CIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000573625635 334953331 /nfs/dbraw/zinc/95/33/31/334953331.db2.gz PLKXJVJNKIIFBQ-VQIMIIECSA-N 2 1 298.474 4.134 20 0 CIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000573625633 334953436 /nfs/dbraw/zinc/95/34/36/334953436.db2.gz PLKXJVJNKIIFBQ-LPHOPBHVSA-N 2 1 298.474 4.134 20 0 CIADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)C1 ZINC000462674850 261526776 /nfs/dbraw/zinc/52/67/76/261526776.db2.gz AADJXZVUUTUNJY-RCCFBDPRSA-N 2 1 280.500 4.199 20 0 CIADMP Cc1nccn1CCCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347598159 226212532 /nfs/dbraw/zinc/21/25/32/226212532.db2.gz KBYWEDFJLSALFY-DOTOQJQBSA-N 2 1 291.483 4.118 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347598159 226212535 /nfs/dbraw/zinc/21/25/35/226212535.db2.gz KBYWEDFJLSALFY-DOTOQJQBSA-N 2 1 291.483 4.118 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@@H]1C ZINC000347598159 226212538 /nfs/dbraw/zinc/21/25/38/226212538.db2.gz KBYWEDFJLSALFY-DOTOQJQBSA-N 2 1 291.483 4.118 20 0 CIADMP Cc1nccn1CCCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347598160 226213344 /nfs/dbraw/zinc/21/33/44/226213344.db2.gz KBYWEDFJLSALFY-NVXWUHKLSA-N 2 1 291.483 4.118 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347598160 226213347 /nfs/dbraw/zinc/21/33/47/226213347.db2.gz KBYWEDFJLSALFY-NVXWUHKLSA-N 2 1 291.483 4.118 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(C)(C)C)C[C@H]1C ZINC000347598160 226213351 /nfs/dbraw/zinc/21/33/51/226213351.db2.gz KBYWEDFJLSALFY-NVXWUHKLSA-N 2 1 291.483 4.118 20 0 CIADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390553167 262215165 /nfs/dbraw/zinc/21/51/65/262215165.db2.gz KRRHLPAYOVUVAH-FUHWJXTLSA-N 2 1 288.479 4.065 20 0 CIADMP CCC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390553167 262215166 /nfs/dbraw/zinc/21/51/66/262215166.db2.gz KRRHLPAYOVUVAH-FUHWJXTLSA-N 2 1 288.479 4.065 20 0 CIADMP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086956909 262347285 /nfs/dbraw/zinc/34/72/85/262347285.db2.gz HGXRNKOPQPRKQQ-HZPDHXFCSA-N 2 1 292.511 4.198 20 0 CIADMP Cc1cccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)c1 ZINC000065976627 265007532 /nfs/dbraw/zinc/00/75/32/265007532.db2.gz QPNYCRLCZFLLFI-UHFFFAOYSA-N 2 1 296.458 4.125 20 0 CIADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(C)cc1 ZINC000164598361 327722374 /nfs/dbraw/zinc/72/23/74/327722374.db2.gz NZMIYXKNFZDDIV-SFHVURJKSA-N 2 1 285.435 4.021 20 0 CIADMP CCC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccsc1 ZINC000187699228 328300916 /nfs/dbraw/zinc/30/09/16/328300916.db2.gz PKQZYJCKIJBEJY-BBRMVZONSA-N 2 1 291.464 4.020 20 0 CIADMP Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000531937092 328321882 /nfs/dbraw/zinc/32/18/82/328321882.db2.gz YOOSOCCDWCSCIH-ZWKOTPCHSA-N 2 1 288.479 4.158 20 0 CIADMP Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c1 ZINC000531937091 328321950 /nfs/dbraw/zinc/32/19/50/328321950.db2.gz YOOSOCCDWCSCIH-ROUUACIJSA-N 2 1 288.479 4.158 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2(C)CCCC2)cc1 ZINC000346228704 328570915 /nfs/dbraw/zinc/57/09/15/328570915.db2.gz ZRYSSEQQIJKKLR-CQSZACIVSA-N 2 1 283.419 4.164 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCCC[C@H]1C(C)(C)C ZINC000539067618 326931251 /nfs/dbraw/zinc/93/12/51/326931251.db2.gz XVCBTZINRGHFHG-OIISXLGYSA-N 2 1 291.483 4.022 20 0 CIADMP CC(C)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000262052945 327096995 /nfs/dbraw/zinc/09/69/95/327096995.db2.gz DANDNGKKQCJNLM-QYZOEREBSA-N 2 1 298.405 4.257 20 0 CIADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C(F)F)cc1 ZINC000582752587 329143894 /nfs/dbraw/zinc/14/38/94/329143894.db2.gz AYXYLHRZLPERII-UHFFFAOYSA-N 2 1 298.421 4.178 20 0 CIADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C(F)F)cc1 ZINC000582752587 329143896 /nfs/dbraw/zinc/14/38/96/329143896.db2.gz AYXYLHRZLPERII-UHFFFAOYSA-N 2 1 298.421 4.178 20 0 CIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccsc1 ZINC000183184044 329245235 /nfs/dbraw/zinc/24/52/35/329245235.db2.gz UHDQSROERUAYHE-SOUVJXGZSA-N 2 1 292.492 4.052 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(C2CC2)cc1 ZINC000419348693 329718985 /nfs/dbraw/zinc/71/89/85/329718985.db2.gz XXXDITYKUGAQMY-HNNXBMFYSA-N 2 1 297.446 4.200 20 0 CIADMP CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422778664 330154636 /nfs/dbraw/zinc/15/46/36/330154636.db2.gz HUXZDHMAUHNUFR-OALUTQOASA-N 2 1 294.442 4.219 20 0 CIADMP Cc1ccc([C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C2CC2)cc1 ZINC000422801715 330155630 /nfs/dbraw/zinc/15/56/30/330155630.db2.gz AFOYJIDQLAWXOG-AQNXPRMDSA-N 2 1 292.426 4.181 20 0 CIADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2cccc3Cl)c2ccccc21 ZINC000422939223 330161828 /nfs/dbraw/zinc/16/18/28/330161828.db2.gz RCDBXRVFSSUXBW-FGTMMUONSA-N 2 1 298.817 4.062 20 0 CIADMP C[C@@H]([NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1)[C@H](C)[NH3+] ZINC000423442238 330201925 /nfs/dbraw/zinc/20/19/25/330201925.db2.gz JSBVVOBVMXPUJC-MJBXVCDLSA-N 2 1 292.492 4.108 20 0 CIADMP CC(C)c1cccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000527850498 330288276 /nfs/dbraw/zinc/28/82/76/330288276.db2.gz XFGONUQUUNJBMQ-HNNXBMFYSA-N 2 1 286.463 4.087 20 0 CIADMP CC[C@H](C)c1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000527901245 330293457 /nfs/dbraw/zinc/29/34/57/330293457.db2.gz OVOORXHVTICEOM-ZQIUZPCESA-N 2 1 297.446 4.131 20 0 CIADMP CCCCc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534286 330329679 /nfs/dbraw/zinc/32/96/79/330329679.db2.gz FQQMNYQITMFVMH-WMZOPIPTSA-N 2 1 288.479 4.022 20 0 CIADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000212751436 330367323 /nfs/dbraw/zinc/36/73/23/330367323.db2.gz DSMGUOCQKCSZBG-LBPRGKRZSA-N 2 1 298.833 4.004 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C3CC3)CC2)cc1 ZINC000090772806 330395861 /nfs/dbraw/zinc/39/58/61/330395861.db2.gz YTIMVKCTNNTFAT-CQSZACIVSA-N 2 1 295.430 4.022 20 0 CIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CC[C@H](C)c3ccsc32)C1 ZINC000453097110 331088838 /nfs/dbraw/zinc/08/88/38/331088838.db2.gz OMZNYFKFYYWIJV-LZWOXQAQSA-N 2 1 292.492 4.008 20 0 CIADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453388635 331127061 /nfs/dbraw/zinc/12/70/61/331127061.db2.gz BUMAULMLNYDLHA-CRAIPNDOSA-N 2 1 286.463 4.007 20 0 CIADMP C[C@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453404156 331129039 /nfs/dbraw/zinc/12/90/39/331129039.db2.gz PDAZTHZAKVDRGK-HNAYVOBHSA-N 2 1 286.463 4.089 20 0 CIADMP CCC1CCC([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)CC1 ZINC000462740459 331326758 /nfs/dbraw/zinc/32/67/58/331326758.db2.gz BGEFMYQODSUEEN-UHFFFAOYSA-N 2 1 288.479 4.197 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000511037261 332925251 /nfs/dbraw/zinc/92/52/51/332925251.db2.gz XMJLCILRMFMUMD-OAHLLOKOSA-N 2 1 285.435 4.056 20 0 CIADMP Cc1ccccc1[C@H](C)[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000483426371 331874556 /nfs/dbraw/zinc/87/45/56/331874556.db2.gz CTJSPJZZRLIEBO-KRWDZBQOSA-N 2 1 286.463 4.006 20 0 CIADMP Cc1cccc([C@@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000489116797 332041911 /nfs/dbraw/zinc/04/19/11/332041911.db2.gz MQUXTZWGIDDYKI-QGZVFWFLSA-N 2 1 286.463 4.006 20 0 CIADMP CCCC(CCC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309750857 333048522 /nfs/dbraw/zinc/04/85/22/333048522.db2.gz VVBXFTVBUHAAHZ-GOSISDBHSA-N 2 1 288.479 4.067 20 0 CIADMP CCC[C@H](CC)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309871340 333050714 /nfs/dbraw/zinc/05/07/14/333050714.db2.gz RFPXPWGLCHCAKI-NEWSRXKRSA-N 2 1 288.479 4.065 20 0 CIADMP CC(C)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000517187566 333094188 /nfs/dbraw/zinc/09/41/88/333094188.db2.gz OGRZZZVNDFRYNV-ZWKOTPCHSA-N 2 1 288.479 4.094 20 0 CIADMP CC(C)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000517187566 333094189 /nfs/dbraw/zinc/09/41/89/333094189.db2.gz OGRZZZVNDFRYNV-ZWKOTPCHSA-N 2 1 288.479 4.094 20 0 CIADMP CCCCc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000224107152 333216913 /nfs/dbraw/zinc/21/69/13/333216913.db2.gz NOYOPTSKXFZMEH-BXWFABGCSA-N 2 1 288.479 4.163 20 0 CIADMP CCCCc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000224107152 333216914 /nfs/dbraw/zinc/21/69/14/333216914.db2.gz NOYOPTSKXFZMEH-BXWFABGCSA-N 2 1 288.479 4.163 20 0 CIADMP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000337633042 335128667 /nfs/dbraw/zinc/12/86/67/335128667.db2.gz QDVWYNVMVWLRBW-GJYPPUQNSA-N 2 1 298.474 4.016 20 0 CIADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000226312823 333256378 /nfs/dbraw/zinc/25/63/78/333256378.db2.gz XRSQNWYDGNQVOC-MRXNPFEDSA-N 2 1 284.447 4.221 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000227375440 333282002 /nfs/dbraw/zinc/28/20/02/333282002.db2.gz IYDMYUAHISARBY-ZGRYLRDCSA-N 2 1 280.500 4.054 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000227375440 333282004 /nfs/dbraw/zinc/28/20/04/333282004.db2.gz IYDMYUAHISARBY-ZGRYLRDCSA-N 2 1 280.500 4.054 20 0 CIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000250052849 333301874 /nfs/dbraw/zinc/30/18/74/333301874.db2.gz MEACLSHVGWRLTK-CMKODMSKSA-N 2 1 298.474 4.014 20 0 CIADMP C[C@H]([NH2+]CCC[NH+](C)C)c1cc2c(ccc3ccccc23)o1 ZINC000539498776 333674315 /nfs/dbraw/zinc/67/43/15/333674315.db2.gz YDELSCINMVHBBE-AWEZNQCLSA-N 2 1 296.414 4.188 20 0 CIADMP CC(C)=CCC[C@H](C)CC[N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000564322791 334095024 /nfs/dbraw/zinc/09/50/24/334095024.db2.gz AXBZOQOGUXGWSA-OKZBNKHCSA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C ZINC000564322791 334095025 /nfs/dbraw/zinc/09/50/25/334095025.db2.gz AXBZOQOGUXGWSA-OKZBNKHCSA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000564322791 334095026 /nfs/dbraw/zinc/09/50/26/334095026.db2.gz AXBZOQOGUXGWSA-OKZBNKHCSA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000564322791 334095028 /nfs/dbraw/zinc/09/50/28/334095028.db2.gz AXBZOQOGUXGWSA-OKZBNKHCSA-N 2 1 280.500 4.031 20 0 CIADMP C[C@@H]1CC[C@H]([NH+](C)CCCC[N@H+](C)[C@H]2CC[C@H](C)C2)C1 ZINC000549919994 334208572 /nfs/dbraw/zinc/20/85/72/334208572.db2.gz MQCZCGFPBYSLON-MHORFTMASA-N 2 1 280.500 4.007 20 0 CIADMP C[C@@H]1CC[C@H]([N@@H+](C)CCCC[NH+](C)[C@H]2CC[C@H](C)C2)C1 ZINC000549919994 334208573 /nfs/dbraw/zinc/20/85/73/334208573.db2.gz MQCZCGFPBYSLON-MHORFTMASA-N 2 1 280.500 4.007 20 0 CIADMP C[C@@H]1CC[C@H]([N@H+](C)CCCC[NH+](C)[C@H]2CC[C@H](C)C2)C1 ZINC000549919994 334208575 /nfs/dbraw/zinc/20/85/75/334208575.db2.gz MQCZCGFPBYSLON-MHORFTMASA-N 2 1 280.500 4.007 20 0 CIADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)(C)C ZINC000247987780 334292843 /nfs/dbraw/zinc/29/28/43/334292843.db2.gz IZUTZVWZCZOKBE-SQWLQELKSA-N 2 1 294.508 4.155 20 0 CIADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)(C)C ZINC000247987780 334292844 /nfs/dbraw/zinc/29/28/44/334292844.db2.gz IZUTZVWZCZOKBE-SQWLQELKSA-N 2 1 294.508 4.155 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@@H](C)C1CCCCC1 ZINC000164645237 334885022 /nfs/dbraw/zinc/88/50/22/334885022.db2.gz GTGYHAGNBWCZNW-HZPDHXFCSA-N 2 1 291.483 4.166 20 0 CIADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000577661947 335386976 /nfs/dbraw/zinc/38/69/76/335386976.db2.gz FDXJIBQRGDDOEK-QGZVFWFLSA-N 2 1 292.511 4.199 20 0 CIADMP CCCC[NH+]1CCC([NH2+][C@@H](CC)c2ccsc2)CC1 ZINC000382195457 336084453 /nfs/dbraw/zinc/08/44/53/336084453.db2.gz ZSVAWIVCLDMMQT-INIZCTEOSA-N 2 1 280.481 4.053 20 0 CIADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC000036921430 522564655 /nfs/dbraw/zinc/56/46/55/522564655.db2.gz UGKGXRQKNNAKBJ-HMQMGEFJSA-N 2 1 292.854 4.006 20 0 CIADMP Cc1cccc(NC2CC[NH+]([C@@H](C)c3ccccc3)CC2)[nH+]1 ZINC000118847382 524671830 /nfs/dbraw/zinc/67/18/30/524671830.db2.gz SCQJYLJYAMLTQT-INIZCTEOSA-N 2 1 295.430 4.028 20 0 CIADMP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000157476450 525695433 /nfs/dbraw/zinc/69/54/33/525695433.db2.gz OUMIJFGDLNWFCK-LQAWEQHXSA-N 2 1 286.806 4.135 20 0 CIADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000020189402 171055664 /nfs/dbraw/zinc/05/56/64/171055664.db2.gz SWNIQBWVHQFNNY-GFCCVEGCSA-N 2 1 298.833 4.003 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000090720983 260392906 /nfs/dbraw/zinc/39/29/06/260392906.db2.gz IYDMYUAHISARBY-VXLLPVPCSA-N 2 1 280.500 4.054 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000090720983 260392907 /nfs/dbraw/zinc/39/29/07/260392907.db2.gz IYDMYUAHISARBY-VXLLPVPCSA-N 2 1 280.500 4.054 20 0 CIADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000514082260 261198868 /nfs/dbraw/zinc/19/88/68/261198868.db2.gz GIPLGHIBTXAFBJ-INIZCTEOSA-N 2 1 288.479 4.020 20 0 CIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cc2ccccc2s1 ZINC000177985363 261374013 /nfs/dbraw/zinc/37/40/13/261374013.db2.gz WLGANAPJGFASLV-YDHLFZDLSA-N 2 1 288.460 4.035 20 0 CIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cc2ccccc2s1 ZINC000177985363 261374017 /nfs/dbraw/zinc/37/40/17/261374017.db2.gz WLGANAPJGFASLV-YDHLFZDLSA-N 2 1 288.460 4.035 20 0 CIADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000021511647 262389486 /nfs/dbraw/zinc/38/94/86/262389486.db2.gz BPURHOFCJHXMOS-GJZGRUSLSA-N 2 1 280.481 4.053 20 0 CIADMP CC(C)C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccs1 ZINC000414186872 262815906 /nfs/dbraw/zinc/81/59/06/262815906.db2.gz PNWSLSKOYYECAH-JKSUJKDBSA-N 2 1 294.508 4.157 20 0 CIADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3C[C@@H]3C3CCCCC3)CC[NH2+]2)cc1 ZINC000415109991 263273128 /nfs/dbraw/zinc/27/31/28/263273128.db2.gz PTFXGHSKFDYKMV-ZRNYENFQSA-N 2 1 298.474 4.038 20 0 CIADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000531686013 328021613 /nfs/dbraw/zinc/02/16/13/328021613.db2.gz MYCUEOPAOYHUOK-JKSUJKDBSA-N 2 1 276.468 4.051 20 0 CIADMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000531686012 328021655 /nfs/dbraw/zinc/02/16/55/328021655.db2.gz MYCUEOPAOYHUOK-HZPDHXFCSA-N 2 1 276.468 4.051 20 0 CIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](C)c2ccccc2)c1 ZINC000563505213 328070618 /nfs/dbraw/zinc/07/06/18/328070618.db2.gz MHDKWFDBNPVWLZ-KRWDZBQOSA-N 2 1 296.458 4.032 20 0 CIADMP CC(C)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303764260 328357794 /nfs/dbraw/zinc/35/77/94/328357794.db2.gz PFYHIKXEMVZYRF-MJGOQNOKSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303764260 328357796 /nfs/dbraw/zinc/35/77/96/328357796.db2.gz PFYHIKXEMVZYRF-MJGOQNOKSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303764260 328357797 /nfs/dbraw/zinc/35/77/97/328357797.db2.gz PFYHIKXEMVZYRF-MJGOQNOKSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303764260 328357799 /nfs/dbraw/zinc/35/77/99/328357799.db2.gz PFYHIKXEMVZYRF-MJGOQNOKSA-N 2 1 288.479 4.017 20 0 CIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000303944196 328370817 /nfs/dbraw/zinc/37/08/17/328370817.db2.gz UEUMRYSRNMIHGJ-MJGOQNOKSA-N 2 1 292.511 4.153 20 0 CIADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000303944196 328370819 /nfs/dbraw/zinc/37/08/19/328370819.db2.gz UEUMRYSRNMIHGJ-MJGOQNOKSA-N 2 1 292.511 4.153 20 0 CIADMP C[C@@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccsc1 ZINC000050344114 328397707 /nfs/dbraw/zinc/39/77/07/328397707.db2.gz HGNJHHYQSUOPAB-CQSZACIVSA-N 2 1 280.481 4.053 20 0 CIADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccsc1 ZINC000050344114 328397709 /nfs/dbraw/zinc/39/77/09/328397709.db2.gz HGNJHHYQSUOPAB-CQSZACIVSA-N 2 1 280.481 4.053 20 0 CIADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(C)cc1 ZINC000088163970 327016628 /nfs/dbraw/zinc/01/66/28/327016628.db2.gz VWGBWIJPVQEHHC-IPQPSQTFSA-N 2 1 286.463 4.051 20 0 CIADMP CC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(C)cc1 ZINC000088163970 327016630 /nfs/dbraw/zinc/01/66/30/327016630.db2.gz VWGBWIJPVQEHHC-IPQPSQTFSA-N 2 1 286.463 4.051 20 0 CIADMP CCCC[N@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1ccccc1 ZINC000536476057 327240714 /nfs/dbraw/zinc/24/07/14/327240714.db2.gz LVJZRNULMHAPCL-KRWDZBQOSA-N 2 1 299.462 4.445 20 0 CIADMP CCCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](C)c1ccccc1 ZINC000536476057 327240715 /nfs/dbraw/zinc/24/07/15/327240715.db2.gz LVJZRNULMHAPCL-KRWDZBQOSA-N 2 1 299.462 4.445 20 0 CIADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379630712 330144503 /nfs/dbraw/zinc/14/45/03/330144503.db2.gz QDPIYPFHBBGXLD-LNLFQRSKSA-N 2 1 288.479 4.064 20 0 CIADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379630712 330144504 /nfs/dbraw/zinc/14/45/04/330144504.db2.gz QDPIYPFHBBGXLD-LNLFQRSKSA-N 2 1 288.479 4.064 20 0 CIADMP CCC(C)(C)c1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422998449 330163431 /nfs/dbraw/zinc/16/34/31/330163431.db2.gz CTKPNCJSSHCVNI-AWEZNQCLSA-N 2 1 297.446 4.033 20 0 CIADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)c2ccccc21 ZINC000422951236 330164077 /nfs/dbraw/zinc/16/40/77/330164077.db2.gz ZYOHUHFPBAJCSG-KZNAEPCWSA-N 2 1 298.817 4.062 20 0 CIADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)CCC2 ZINC000423137049 330172167 /nfs/dbraw/zinc/17/21/67/330172167.db2.gz VZPDIVZEAQKTOA-XUVXKRRUSA-N 2 1 292.426 4.107 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C2CC(C)(C)C2)cc1 ZINC000433295256 330216177 /nfs/dbraw/zinc/21/61/77/330216177.db2.gz OOPPSCRVWKPLCI-ZDUSSCGKSA-N 2 1 283.419 4.020 20 0 CIADMP Cc1ccc(CCC[N@H+]2CCc3sccc3[C@H]2C)cn1 ZINC000527509231 330254791 /nfs/dbraw/zinc/25/47/91/330254791.db2.gz AWGPGACKEPEVCW-CQSZACIVSA-N 2 1 286.444 4.003 20 0 CIADMP CC(C)c1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000527850506 330288357 /nfs/dbraw/zinc/28/83/57/330288357.db2.gz XFGONUQUUNJBMQ-OAHLLOKOSA-N 2 1 286.463 4.087 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(C(C)C)c1 ZINC000527854236 330288633 /nfs/dbraw/zinc/28/86/33/330288633.db2.gz WJIIFKPDTUWLFU-HNNXBMFYSA-N 2 1 285.435 4.056 20 0 CIADMP CC(C)c1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000527906407 330290238 /nfs/dbraw/zinc/29/02/38/330290238.db2.gz WVIJXIARNVKFLH-FMJMRLDVSA-N 2 1 286.463 4.086 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC23CC3)cc1 ZINC000527873607 330290983 /nfs/dbraw/zinc/29/09/83/330290983.db2.gz WBNXHCCQHOYTLN-PMUMKWKESA-N 2 1 295.430 4.020 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC23CC3)cc1 ZINC000527873606 330291001 /nfs/dbraw/zinc/29/10/01/330291001.db2.gz WBNXHCCQHOYTLN-IYOUNJFTSA-N 2 1 295.430 4.020 20 0 CIADMP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453076380 331086932 /nfs/dbraw/zinc/08/69/32/331086932.db2.gz HQFHKHOORXHNFT-CJNGLKHVSA-N 2 1 292.492 4.151 20 0 CIADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cs1 ZINC000453120262 331091234 /nfs/dbraw/zinc/09/12/34/331091234.db2.gz CDVHSUCGLROZET-AWEZNQCLSA-N 2 1 292.492 4.114 20 0 CIADMP CC(C)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000453335916 331118400 /nfs/dbraw/zinc/11/84/00/331118400.db2.gz FCUUNTMOELBDQI-UYTSQGDYSA-N 2 1 292.492 4.050 20 0 CIADMP CC(C)[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000453375640 331124723 /nfs/dbraw/zinc/12/47/23/331124723.db2.gz XYVTXAJVYATIPA-OUQUZMNPSA-N 2 1 298.474 4.086 20 0 CIADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1Cl ZINC000453397515 331128119 /nfs/dbraw/zinc/12/81/19/331128119.db2.gz JNWZAAMGYVCBAL-GFCCVEGCSA-N 2 1 298.833 4.004 20 0 CIADMP C[C@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453404157 331129009 /nfs/dbraw/zinc/12/90/09/331129009.db2.gz PDAZTHZAKVDRGK-KXBFYZLASA-N 2 1 286.463 4.089 20 0 CIADMP CC[C@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000462745880 331327122 /nfs/dbraw/zinc/32/71/22/331327122.db2.gz QRRFEDMIAAFWPA-QFBILLFUSA-N 2 1 288.479 4.197 20 0 CIADMP CC(C)=CCC[C@@H](C)CC[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000482165755 331826032 /nfs/dbraw/zinc/82/60/32/331826032.db2.gz SPJAIJOMEOMMJH-IAGOWNOFSA-N 2 1 291.483 4.190 20 0 CIADMP CCCC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309711117 333047916 /nfs/dbraw/zinc/04/79/16/333047916.db2.gz KAGFGLDIZNNGCY-LNLFQRSKSA-N 2 1 288.479 4.065 20 0 CIADMP Cc1c2ccccc2oc1[C@H](C)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000188942659 333176595 /nfs/dbraw/zinc/17/65/95/333176595.db2.gz KZSGXSRBEZZPPH-ARFHVFGLSA-N 2 1 298.430 4.019 20 0 CIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188942659 333176596 /nfs/dbraw/zinc/17/65/96/333176596.db2.gz KZSGXSRBEZZPPH-ARFHVFGLSA-N 2 1 298.430 4.019 20 0 CIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000188942659 333176597 /nfs/dbraw/zinc/17/65/97/333176597.db2.gz KZSGXSRBEZZPPH-ARFHVFGLSA-N 2 1 298.430 4.019 20 0 CIADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC(C)(C)C)C1 ZINC000521817758 333189597 /nfs/dbraw/zinc/18/95/97/333189597.db2.gz RDZNDJRYFUHPDS-MRXNPFEDSA-N 2 1 288.479 4.054 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000226865118 333271401 /nfs/dbraw/zinc/27/14/01/333271401.db2.gz RYLIJTWEFYMLQH-QBPKDAKJSA-N 2 1 280.500 4.054 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](C(C)(C)C)CC2)CC[N@H+]1C ZINC000226865118 333271402 /nfs/dbraw/zinc/27/14/02/333271402.db2.gz RYLIJTWEFYMLQH-QBPKDAKJSA-N 2 1 280.500 4.054 20 0 CIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)c2ccccc2)c1 ZINC000173358323 335132397 /nfs/dbraw/zinc/13/23/97/335132397.db2.gz AUBHJPHQEZPPDP-KRWDZBQOSA-N 2 1 296.458 4.378 20 0 CIADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1Cl ZINC000523851276 333347974 /nfs/dbraw/zinc/34/79/74/333347974.db2.gz NAVWKPSPAWEAPW-XJKSGUPXSA-N 2 1 296.886 4.357 20 0 CIADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000524766308 333387288 /nfs/dbraw/zinc/38/72/88/333387288.db2.gz UNNUYMYOHPKDOS-SFHVURJKSA-N 2 1 296.458 4.004 20 0 CIADMP CCC[C@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000540509514 333733156 /nfs/dbraw/zinc/73/31/56/333733156.db2.gz YNHWMIMNDPKONB-VQIMIIECSA-N 2 1 299.462 4.001 20 0 CIADMP Cc1ccccc1[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000137569456 334175097 /nfs/dbraw/zinc/17/50/97/334175097.db2.gz REGZCUOJBDZGCQ-MSOLQXFVSA-N 2 1 286.463 4.006 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1C=CCCCCC1 ZINC000549996720 334210919 /nfs/dbraw/zinc/21/09/19/334210919.db2.gz JFAWKTROYPUQFX-KRWDZBQOSA-N 2 1 289.467 4.046 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1C=CCCCCC1 ZINC000549996720 334210920 /nfs/dbraw/zinc/21/09/20/334210920.db2.gz JFAWKTROYPUQFX-KRWDZBQOSA-N 2 1 289.467 4.046 20 0 CIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCCCC2)C3)cc1 ZINC000245746982 334216998 /nfs/dbraw/zinc/21/69/98/334216998.db2.gz STAHPPPWOMYBAQ-ACDBMABISA-N 2 1 298.474 4.104 20 0 CIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000550701321 334227192 /nfs/dbraw/zinc/22/71/92/334227192.db2.gz YRKFXCXMJCKZHX-PWIZWCRZSA-N 2 1 294.442 4.173 20 0 CIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000550701321 334227193 /nfs/dbraw/zinc/22/71/93/334227193.db2.gz YRKFXCXMJCKZHX-PWIZWCRZSA-N 2 1 294.442 4.173 20 0 CIADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C)C[C@H]1c1ccccc1 ZINC000550703790 334227453 /nfs/dbraw/zinc/22/74/53/334227453.db2.gz NGDHQVPLTDONTE-MSOLQXFVSA-N 2 1 288.479 4.238 20 0 CIADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C)C[C@H]1c1ccccc1 ZINC000550703790 334227454 /nfs/dbraw/zinc/22/74/54/334227454.db2.gz NGDHQVPLTDONTE-MSOLQXFVSA-N 2 1 288.479 4.238 20 0 CIADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000550703793 334227524 /nfs/dbraw/zinc/22/75/24/334227524.db2.gz NGDHQVPLTDONTE-ZWKOTPCHSA-N 2 1 288.479 4.238 20 0 CIADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000550703793 334227525 /nfs/dbraw/zinc/22/75/25/334227525.db2.gz NGDHQVPLTDONTE-ZWKOTPCHSA-N 2 1 288.479 4.238 20 0 CIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000247149078 334276354 /nfs/dbraw/zinc/27/63/54/334276354.db2.gz STJINCHJFHQRAO-LSDHHAIUSA-N 2 1 280.481 4.053 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000247965475 334292367 /nfs/dbraw/zinc/29/23/67/334292367.db2.gz GTMRJXWWECLRIU-MPTYRVRUSA-N 2 1 294.508 4.155 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000247965475 334292369 /nfs/dbraw/zinc/29/23/69/334292369.db2.gz GTMRJXWWECLRIU-MPTYRVRUSA-N 2 1 294.508 4.155 20 0 CIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)(C)C ZINC000247987777 334292881 /nfs/dbraw/zinc/29/28/81/334292881.db2.gz IZUTZVWZCZOKBE-OFQRWUPVSA-N 2 1 294.508 4.155 20 0 CIADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)(C)C ZINC000247987777 334292883 /nfs/dbraw/zinc/29/28/83/334292883.db2.gz IZUTZVWZCZOKBE-OFQRWUPVSA-N 2 1 294.508 4.155 20 0 CIADMP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000552223372 334305262 /nfs/dbraw/zinc/30/52/62/334305262.db2.gz SBVJXLUSKBIKEJ-RBUKOAKNSA-N 2 1 288.479 4.051 20 0 CIADMP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000552223370 334305306 /nfs/dbraw/zinc/30/53/06/334305306.db2.gz SBVJXLUSKBIKEJ-MOPGFXCFSA-N 2 1 288.479 4.051 20 0 CIADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000552245096 334307563 /nfs/dbraw/zinc/30/75/63/334307563.db2.gz QSTXOTYWNCXCPJ-TXPKVOOTSA-N 2 1 288.479 4.018 20 0 CIADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000552245096 334307566 /nfs/dbraw/zinc/30/75/66/334307566.db2.gz QSTXOTYWNCXCPJ-TXPKVOOTSA-N 2 1 288.479 4.018 20 0 CIADMP CCCc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000552561769 334335725 /nfs/dbraw/zinc/33/57/25/334335725.db2.gz BQINXAKRNODLRA-JKSUJKDBSA-N 2 1 299.462 4.131 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000252175671 334375797 /nfs/dbraw/zinc/37/57/97/334375797.db2.gz RYLIJTWEFYMLQH-LTIDMASMSA-N 2 1 280.500 4.054 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](C(C)(C)C)CC2)CC[N@H+]1C ZINC000252175671 334375800 /nfs/dbraw/zinc/37/58/00/334375800.db2.gz RYLIJTWEFYMLQH-LTIDMASMSA-N 2 1 280.500 4.054 20 0 CIADMP CCCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000252646881 334383780 /nfs/dbraw/zinc/38/37/80/334383780.db2.gz SPZINARMOKAGKM-FHWLQOOXSA-N 2 1 286.463 4.134 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1C[C@@H](C)c2c1cccc2C ZINC000153973836 334684391 /nfs/dbraw/zinc/68/43/91/334684391.db2.gz IINAANBGAGARKE-CRAIPNDOSA-N 2 1 297.446 4.118 20 0 CIADMP CC(C)c1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000037044591 519839101 /nfs/dbraw/zinc/83/91/01/519839101.db2.gz QUNGMXIULUUVBX-FMJMRLDVSA-N 2 1 286.463 4.086 20 0 CIADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C)cc1 ZINC000157337398 522762644 /nfs/dbraw/zinc/76/26/44/522762644.db2.gz FGYOJYWVOQYHGZ-FHWLQOOXSA-N 2 1 280.415 4.181 20 0 CIADMP C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340368828 523987816 /nfs/dbraw/zinc/98/78/16/523987816.db2.gz DVQFVHAAZAWNRX-RBUKOAKNSA-N 2 1 298.474 4.134 20 0 CIADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340368828 523987821 /nfs/dbraw/zinc/98/78/21/523987821.db2.gz DVQFVHAAZAWNRX-RBUKOAKNSA-N 2 1 298.474 4.134 20 0 CIADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000157476767 525636460 /nfs/dbraw/zinc/63/64/60/525636460.db2.gz OUMIJFGDLNWFCK-JECHBYEQSA-N 2 1 286.806 4.135 20 0 CIADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157265386 525695506 /nfs/dbraw/zinc/69/55/06/525695506.db2.gz OODRMDVRLLLMKO-NVGVWMPQSA-N 2 1 286.806 4.135 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC000338020237 527422421 /nfs/dbraw/zinc/42/24/21/527422421.db2.gz QWRFZARQXFNEOD-OAHLLOKOSA-N 2 1 293.414 4.086 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C2CCC2)cc1 ZINC000166672928 227061502 /nfs/dbraw/zinc/06/15/02/227061502.db2.gz PNPKDFNZUSPZAO-KGLIPLIRSA-N 2 1 283.419 4.020 20 0 CIADMP Cc1ccc([C@@H](C)N[C@H](C)c2ccc(-n3ccnc3)cc2)o1 ZINC000192735729 227283811 /nfs/dbraw/zinc/28/38/11/227283811.db2.gz DJNTVYFZYYGZBR-HUUCEWRRSA-N 2 1 295.386 4.186 20 0 CIADMP CSc1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157328151 264320010 /nfs/dbraw/zinc/32/00/10/264320010.db2.gz LINGKBRMKNBPNQ-UYHISHBKSA-N 2 1 298.455 4.204 20 0 CIADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](C)c2ccccc2)c1 ZINC000563505214 328070515 /nfs/dbraw/zinc/07/05/15/328070515.db2.gz MHDKWFDBNPVWLZ-QGZVFWFLSA-N 2 1 296.458 4.032 20 0 CIADMP CCCC[C@H](CC)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000582149492 328303099 /nfs/dbraw/zinc/30/30/99/328303099.db2.gz OCGKAVRYMOCMOY-XNHLSEOASA-N 2 1 280.500 4.150 20 0 CIADMP CCCC[C@H](CC)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000582149492 328303100 /nfs/dbraw/zinc/30/31/00/328303100.db2.gz OCGKAVRYMOCMOY-XNHLSEOASA-N 2 1 280.500 4.150 20 0 CIADMP CCCC[C@H](CC)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000582149492 328303102 /nfs/dbraw/zinc/30/31/02/328303102.db2.gz OCGKAVRYMOCMOY-XNHLSEOASA-N 2 1 280.500 4.150 20 0 CIADMP CCCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745903 328358052 /nfs/dbraw/zinc/35/80/52/328358052.db2.gz JYBWOAGWYCIYKD-PKOBYXMFSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745903 328358053 /nfs/dbraw/zinc/35/80/53/328358053.db2.gz JYBWOAGWYCIYKD-PKOBYXMFSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745903 328358054 /nfs/dbraw/zinc/35/80/54/328358054.db2.gz JYBWOAGWYCIYKD-PKOBYXMFSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745903 328358055 /nfs/dbraw/zinc/35/80/55/328358055.db2.gz JYBWOAGWYCIYKD-PKOBYXMFSA-N 2 1 288.479 4.162 20 0 CIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000303944201 328370947 /nfs/dbraw/zinc/37/09/47/328370947.db2.gz UEUMRYSRNMIHGJ-PKOBYXMFSA-N 2 1 292.511 4.153 20 0 CIADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000303944201 328370948 /nfs/dbraw/zinc/37/09/48/328370948.db2.gz UEUMRYSRNMIHGJ-PKOBYXMFSA-N 2 1 292.511 4.153 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](C)C(C)C)cc1 ZINC000531979052 328371875 /nfs/dbraw/zinc/37/18/75/328371875.db2.gz ARSDLOIPEXFJQS-GJZGRUSLSA-N 2 1 285.435 4.123 20 0 CIADMP CC(C)CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000569527048 327192081 /nfs/dbraw/zinc/19/20/81/327192081.db2.gz IZZUGYJNDZGOAV-QGZVFWFLSA-N 2 1 280.500 4.054 20 0 CIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000559751805 327259766 /nfs/dbraw/zinc/25/97/66/327259766.db2.gz BUUOVJIWUHTCLX-ROUUACIJSA-N 2 1 292.511 4.199 20 0 CIADMP CCCC[NH+]1CCC([NH2+]Cc2cc(C)cc(Cl)c2)CC1 ZINC000395143463 329280098 /nfs/dbraw/zinc/28/00/98/329280098.db2.gz KHFFVOOMANMMJO-UHFFFAOYSA-N 2 1 294.870 4.003 20 0 CIADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000582928635 329286067 /nfs/dbraw/zinc/28/60/67/329286067.db2.gz PBVFFUQFFRAZFK-XSLAGTTESA-N 2 1 294.527 4.444 20 0 CIADMP CCC(CC)[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1 ZINC000565161364 329873044 /nfs/dbraw/zinc/87/30/44/329873044.db2.gz DZWQSNDQXCOTOR-LJQANCHMSA-N 2 1 299.462 4.120 20 0 CIADMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1C ZINC000422748728 330153161 /nfs/dbraw/zinc/15/31/61/330153161.db2.gz VUYUZOQTVLPTFS-GDIGMMSISA-N 2 1 280.415 4.099 20 0 CIADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCCC1 ZINC000422779738 330154893 /nfs/dbraw/zinc/15/48/93/330154893.db2.gz IUHAHLFAPIPOJT-ZYSHUDEJSA-N 2 1 286.463 4.038 20 0 CIADMP Cc1ccc([C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C2CC2)cc1 ZINC000422801717 330155880 /nfs/dbraw/zinc/15/58/80/330155880.db2.gz AFOYJIDQLAWXOG-ZCNNSNEGSA-N 2 1 292.426 4.181 20 0 CIADMP CC(C)c1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423052870 330167402 /nfs/dbraw/zinc/16/74/02/330167402.db2.gz QSAAQTNHQNNJGN-RBUKOAKNSA-N 2 1 280.415 4.044 20 0 CIADMP CCSc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423130194 330171515 /nfs/dbraw/zinc/17/15/15/330171515.db2.gz MVIZKWOAPPIDLU-ROUUACIJSA-N 2 1 298.455 4.033 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccs1 ZINC000536860290 330252789 /nfs/dbraw/zinc/25/27/89/330252789.db2.gz WVRSDJUYNULIJW-QRTARXTBSA-N 2 1 294.508 4.298 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccs1 ZINC000536860290 330252791 /nfs/dbraw/zinc/25/27/91/330252791.db2.gz WVRSDJUYNULIJW-QRTARXTBSA-N 2 1 294.508 4.298 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](CC(C)C)c1ccccc1 ZINC000527519942 330256429 /nfs/dbraw/zinc/25/64/29/330256429.db2.gz WDQFWPOBOJYTPR-IBGZPJMESA-N 2 1 299.462 4.001 20 0 CIADMP CCCCc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534288 330329791 /nfs/dbraw/zinc/32/97/91/330329791.db2.gz FQQMNYQITMFVMH-SJLPKXTDSA-N 2 1 288.479 4.022 20 0 CIADMP CC(C)C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000119701696 330378863 /nfs/dbraw/zinc/37/88/63/330378863.db2.gz VVLZWCBZLCEPPU-INIZCTEOSA-N 2 1 292.492 4.052 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC1=CCCCC1 ZINC000450859369 331003297 /nfs/dbraw/zinc/00/32/97/331003297.db2.gz VFQNIVOCMQZVPS-UHFFFAOYSA-N 2 1 289.467 4.048 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC1=CCCCC1 ZINC000450859369 331003298 /nfs/dbraw/zinc/00/32/98/331003298.db2.gz VFQNIVOCMQZVPS-UHFFFAOYSA-N 2 1 289.467 4.048 20 0 CIADMP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453076385 331086902 /nfs/dbraw/zinc/08/69/02/331086902.db2.gz HQFHKHOORXHNFT-XJKSGUPXSA-N 2 1 292.492 4.151 20 0 CIADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453143495 331093792 /nfs/dbraw/zinc/09/37/92/331093792.db2.gz FSUTWOPZPIXGNP-CJNGLKHVSA-N 2 1 292.492 4.149 20 0 CIADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccsc1 ZINC000453146649 331094151 /nfs/dbraw/zinc/09/41/51/331094151.db2.gz XOEIBIZYJZVIAU-QGZVFWFLSA-N 2 1 292.492 4.196 20 0 CIADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000453167931 331096530 /nfs/dbraw/zinc/09/65/30/331096530.db2.gz JGUAQVCHIOLLBS-RDJZCZTQSA-N 2 1 294.508 4.157 20 0 CIADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000453375631 331124715 /nfs/dbraw/zinc/12/47/15/331124715.db2.gz XYVTXAJVYATIPA-CUJSOJNGSA-N 2 1 298.474 4.086 20 0 CIADMP C[C@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2sccc21 ZINC000453417598 331130374 /nfs/dbraw/zinc/13/03/74/331130374.db2.gz XVJRZDZFGZZRJO-XJKSGUPXSA-N 2 1 292.492 4.151 20 0 CIADMP CC[C@@H](C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000462118281 331317698 /nfs/dbraw/zinc/31/76/98/331317698.db2.gz DQOLOXWSZNCQLM-DYVFJYSZSA-N 2 1 294.870 4.111 20 0 CIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000462679298 331325094 /nfs/dbraw/zinc/32/50/94/331325094.db2.gz IBYLOIKHSNYHDE-MRXNPFEDSA-N 2 1 280.500 4.057 20 0 CIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(C)(C)CC1 ZINC000462680066 331325114 /nfs/dbraw/zinc/32/51/14/331325114.db2.gz ITZLFJQPAVTYKF-MRXNPFEDSA-N 2 1 280.500 4.199 20 0 CIADMP CC[C@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000462745879 331327081 /nfs/dbraw/zinc/32/70/81/331327081.db2.gz QRRFEDMIAAFWPA-LPHOPBHVSA-N 2 1 288.479 4.197 20 0 CIADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(Cl)c1 ZINC000484498771 331900485 /nfs/dbraw/zinc/90/04/85/331900485.db2.gz HXKUZBDVJMYMLH-YUTCNCBUSA-N 2 1 298.833 4.003 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1C)C(C)C ZINC000091346674 334376758 /nfs/dbraw/zinc/37/67/58/334376758.db2.gz FWZYGGOYVUWZEC-IBGZPJMESA-N 2 1 299.462 4.267 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@@H]1C(C)(C)C ZINC000164662900 334885433 /nfs/dbraw/zinc/88/54/33/334885433.db2.gz CFXFSHZCPKPPRL-DLBZAZTESA-N 2 1 291.483 4.166 20 0 CIADMP CCC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178029270 333066885 /nfs/dbraw/zinc/06/68/85/333066885.db2.gz ZLWWURCGVCGZNN-ZIAGYGMSSA-N 2 1 271.408 4.020 20 0 CIADMP CCC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178029246 333066916 /nfs/dbraw/zinc/06/69/16/333066916.db2.gz ZLWWURCGVCGZNN-KGLIPLIRSA-N 2 1 271.408 4.020 20 0 CIADMP C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183197978 333119439 /nfs/dbraw/zinc/11/94/39/333119439.db2.gz VHEYGJHGGATSIR-QLFBSQMISA-N 2 1 292.492 4.052 20 0 CIADMP Cc1cc(C)cc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000521817729 333189648 /nfs/dbraw/zinc/18/96/48/333189648.db2.gz OIFVNYPERJNMKB-GOSISDBHSA-N 2 1 288.479 4.048 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222556161 333197065 /nfs/dbraw/zinc/19/70/65/333197065.db2.gz ZZWFFGPPUZBVBG-IPELMVKDSA-N 2 1 288.479 4.236 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222556161 333197066 /nfs/dbraw/zinc/19/70/66/333197066.db2.gz ZZWFFGPPUZBVBG-IPELMVKDSA-N 2 1 288.479 4.236 20 0 CIADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc2ccccc21 ZINC000226312803 333256332 /nfs/dbraw/zinc/25/63/32/333256332.db2.gz HMPWWWQZWPMFED-MRXNPFEDSA-N 2 1 284.447 4.221 20 0 CIADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C)cc1 ZINC000227537545 333285289 /nfs/dbraw/zinc/28/52/89/333285289.db2.gz FGYOJYWVOQYHGZ-CEXWTWQISA-N 2 1 280.415 4.181 20 0 CIADMP CSc1ccc([C@@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000227537275 333285309 /nfs/dbraw/zinc/28/53/09/333285309.db2.gz LINGKBRMKNBPNQ-PJSAGSTRSA-N 2 1 298.455 4.204 20 0 CIADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(C)cc1 ZINC000227537558 333285336 /nfs/dbraw/zinc/28/53/36/333285336.db2.gz FGYOJYWVOQYHGZ-QYZOEREBSA-N 2 1 280.415 4.181 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000540438819 333730180 /nfs/dbraw/zinc/73/01/80/333730180.db2.gz QVKLOZKRUDDMOV-GOSISDBHSA-N 2 1 299.462 4.267 20 0 CIADMP CCC(CC)[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000546606803 334040012 /nfs/dbraw/zinc/04/00/12/334040012.db2.gz GYNZIQBMLJCAOW-FUHWJXTLSA-N 2 1 288.479 4.065 20 0 CIADMP CC(C)=CCC[C@H](C)CC[N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000564322792 334094934 /nfs/dbraw/zinc/09/49/34/334094934.db2.gz AXBZOQOGUXGWSA-RCCFBDPRSA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C ZINC000564322792 334094935 /nfs/dbraw/zinc/09/49/35/334094935.db2.gz AXBZOQOGUXGWSA-RCCFBDPRSA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000564322792 334094936 /nfs/dbraw/zinc/09/49/36/334094936.db2.gz AXBZOQOGUXGWSA-RCCFBDPRSA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000564322792 334094937 /nfs/dbraw/zinc/09/49/37/334094937.db2.gz AXBZOQOGUXGWSA-RCCFBDPRSA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)(C)C1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000135691644 334136559 /nfs/dbraw/zinc/13/65/59/334136559.db2.gz IUDHIJFGSJNLFH-OPQOLIRYSA-N 2 1 292.511 4.055 20 0 CIADMP Cc1cccc([C@@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000245439221 334193493 /nfs/dbraw/zinc/19/34/93/334193493.db2.gz FRXYIHIJIVQIOT-IEBWSBKVSA-N 2 1 286.463 4.006 20 0 CIADMP c1ccc2c(c1)CCC[C@H]2[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246963464 334272899 /nfs/dbraw/zinc/27/28/99/334272899.db2.gz GHUCHLCGHUWOCM-UYAOXDASSA-N 2 1 298.474 4.014 20 0 CIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000550622348 334225474 /nfs/dbraw/zinc/22/54/74/334225474.db2.gz TZPCEHYNHPVHQI-ROUUACIJSA-N 2 1 292.511 4.344 20 0 CIADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550700845 334227172 /nfs/dbraw/zinc/22/71/72/334227172.db2.gz PPKSZXQPNFMFPW-DKKFBQAASA-N 2 1 288.479 4.236 20 0 CIADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550700845 334227173 /nfs/dbraw/zinc/22/71/73/334227173.db2.gz PPKSZXQPNFMFPW-DKKFBQAASA-N 2 1 288.479 4.236 20 0 CIADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550700844 334227293 /nfs/dbraw/zinc/22/72/93/334227293.db2.gz PPKSZXQPNFMFPW-CAMMJAKZSA-N 2 1 288.479 4.236 20 0 CIADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550700844 334227294 /nfs/dbraw/zinc/22/72/94/334227294.db2.gz PPKSZXQPNFMFPW-CAMMJAKZSA-N 2 1 288.479 4.236 20 0 CIADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247042443 334274370 /nfs/dbraw/zinc/27/43/70/334274370.db2.gz REGZCUOJBDZGCQ-ZWKOTPCHSA-N 2 1 286.463 4.006 20 0 CIADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000247920193 334291448 /nfs/dbraw/zinc/29/14/48/334291448.db2.gz BAZRQCIOOSVGPC-ZQIUZPCESA-N 2 1 294.870 4.109 20 0 CIADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000247920193 334291450 /nfs/dbraw/zinc/29/14/50/334291450.db2.gz BAZRQCIOOSVGPC-ZQIUZPCESA-N 2 1 294.870 4.109 20 0 CIADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)c1cccs1 ZINC000248408250 334300559 /nfs/dbraw/zinc/30/05/59/334300559.db2.gz VHEYGJHGGATSIR-KKUMJFAQSA-N 2 1 292.492 4.052 20 0 CIADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000252183405 334376077 /nfs/dbraw/zinc/37/60/77/334376077.db2.gz TYJGJEGNASHZKE-BPQIPLTHSA-N 2 1 288.479 4.236 20 0 CIADMP C[C@@H]1C[C@@H]([NH2+][C@H](CC(C)(C)C)c2ccccc2)CC[N@H+]1C ZINC000252183405 334376079 /nfs/dbraw/zinc/37/60/79/334376079.db2.gz TYJGJEGNASHZKE-BPQIPLTHSA-N 2 1 288.479 4.236 20 0 CIADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1cccs1 ZINC000252367697 334378475 /nfs/dbraw/zinc/37/84/75/334378475.db2.gz BPURHOFCJHXMOS-HUUCEWRRSA-N 2 1 280.481 4.053 20 0 CIADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000252637055 334383682 /nfs/dbraw/zinc/38/36/82/334383682.db2.gz HKMKPKYZSACHAP-ULQDDVLXSA-N 2 1 292.854 4.008 20 0 CIADMP CC[C@@H]1C[C@H](C)C[NH+]1CCCC[N@@H+]1C[C@H](C)C[C@@H]1CC ZINC000580684821 335322066 /nfs/dbraw/zinc/32/20/66/335322066.db2.gz XXOFGPNONYKXSE-FZDBZEDMSA-N 2 1 280.500 4.007 20 0 CIADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCCC[NH+]1C[C@H](C)C[C@@H]1CC ZINC000580684821 335322068 /nfs/dbraw/zinc/32/20/68/335322068.db2.gz XXOFGPNONYKXSE-FZDBZEDMSA-N 2 1 280.500 4.007 20 0 CIADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CCCC[NH+]1C[C@H](C)C[C@@H]1CC ZINC000580684821 335322069 /nfs/dbraw/zinc/32/20/69/335322069.db2.gz XXOFGPNONYKXSE-FZDBZEDMSA-N 2 1 280.500 4.007 20 0 CIADMP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000157431486 519836373 /nfs/dbraw/zinc/83/63/73/519836373.db2.gz VEHUCKFTMVKZTC-MOPGFXCFSA-N 2 1 280.415 4.044 20 0 CIADMP CC(C)c1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000037044592 519839956 /nfs/dbraw/zinc/83/99/56/519839956.db2.gz QUNGMXIULUUVBX-AQXGTKIOSA-N 2 1 286.463 4.086 20 0 CIADMP CC1(C)CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000128087843 520408821 /nfs/dbraw/zinc/40/88/21/520408821.db2.gz QDVWYNVMVWLRBW-MDZRGWNJSA-N 2 1 298.474 4.016 20 0 CIADMP C[N@@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C[C@H]1c1ccccc1 ZINC000340368827 523988022 /nfs/dbraw/zinc/98/80/22/523988022.db2.gz DVQFVHAAZAWNRX-OALUTQOASA-N 2 1 298.474 4.134 20 0 CIADMP C[N@H+]1CC[C@H]([NH2+]C2CCC3(CC3)CC2)C[C@H]1c1ccccc1 ZINC000340368827 523988026 /nfs/dbraw/zinc/98/80/26/523988026.db2.gz DVQFVHAAZAWNRX-OALUTQOASA-N 2 1 298.474 4.134 20 0 CIADMP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000157476292 525652907 /nfs/dbraw/zinc/65/29/07/525652907.db2.gz OUMIJFGDLNWFCK-SSKCKEOISA-N 2 1 286.806 4.135 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(CC(C)C)cc1 ZINC000338007326 527421750 /nfs/dbraw/zinc/42/17/50/527421750.db2.gz GYOPYVMASUDMDY-INIZCTEOSA-N 2 1 299.462 4.131 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(C)(C)C)cc1 ZINC000341908018 130121445 /nfs/dbraw/zinc/12/14/45/130121445.db2.gz LLUSBRLSCSBNNC-AWEZNQCLSA-N 2 1 285.435 4.268 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000345021285 225233557 /nfs/dbraw/zinc/23/35/57/225233557.db2.gz VPDPSEFMQVNZEH-DOTOQJQBSA-N 2 1 295.430 4.188 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CC=CCC2)cc1 ZINC000345021291 225233724 /nfs/dbraw/zinc/23/37/24/225233724.db2.gz VPDPSEFMQVNZEH-NVXWUHKLSA-N 2 1 295.430 4.188 20 0 CIADMP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086957057 262347125 /nfs/dbraw/zinc/34/71/25/262347125.db2.gz LHEBBKYPPVSZTL-GVDBMIGSSA-N 2 1 292.511 4.055 20 0 CIADMP CC(C)(C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086956911 262347268 /nfs/dbraw/zinc/34/72/68/262347268.db2.gz HGXRNKOPQPRKQQ-JKSUJKDBSA-N 2 1 292.511 4.198 20 0 CIADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@@H]3C3CCCCC3)CC[NH2+]2)cc1 ZINC000415109989 263273444 /nfs/dbraw/zinc/27/34/44/263273444.db2.gz PTFXGHSKFDYKMV-YSTOQKLRSA-N 2 1 298.474 4.038 20 0 CIADMP Cc1ccccc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000065976621 265007767 /nfs/dbraw/zinc/00/77/67/265007767.db2.gz HWOBKNARIPQLFQ-UHFFFAOYSA-N 2 1 296.458 4.125 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000531686011 328021648 /nfs/dbraw/zinc/02/16/48/328021648.db2.gz MYCUEOPAOYHUOK-HOTGVXAUSA-N 2 1 276.468 4.051 20 0 CIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000531703066 328026290 /nfs/dbraw/zinc/02/62/90/328026290.db2.gz ARCAFWXPMRKQOM-HUUCEWRRSA-N 2 1 294.870 4.111 20 0 CIADMP CCC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccsc1 ZINC000187699198 328300845 /nfs/dbraw/zinc/30/08/45/328300845.db2.gz PKQZYJCKIJBEJY-CJNGLKHVSA-N 2 1 291.464 4.020 20 0 CIADMP CCCC[C@@H](CC)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000582149491 328303267 /nfs/dbraw/zinc/30/32/67/328303267.db2.gz OCGKAVRYMOCMOY-HRBLRVMOSA-N 2 1 280.500 4.150 20 0 CIADMP CCCC[C@@H](CC)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000582149491 328303268 /nfs/dbraw/zinc/30/32/68/328303268.db2.gz OCGKAVRYMOCMOY-HRBLRVMOSA-N 2 1 280.500 4.150 20 0 CIADMP CCCC[C@@H](CC)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000582149491 328303269 /nfs/dbraw/zinc/30/32/69/328303269.db2.gz OCGKAVRYMOCMOY-HRBLRVMOSA-N 2 1 280.500 4.150 20 0 CIADMP C[C@H]([NH2+]CCC[N@H+](C)C1CCCCC1)c1ccsc1 ZINC000050344111 328397615 /nfs/dbraw/zinc/39/76/15/328397615.db2.gz HGNJHHYQSUOPAB-AWEZNQCLSA-N 2 1 280.481 4.053 20 0 CIADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)c1ccsc1 ZINC000050344111 328397617 /nfs/dbraw/zinc/39/76/17/328397617.db2.gz HGNJHHYQSUOPAB-AWEZNQCLSA-N 2 1 280.481 4.053 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000539067503 326931232 /nfs/dbraw/zinc/93/12/32/326931232.db2.gz VPJPMUBBCIJRHM-OWCLPIDISA-N 2 1 291.483 4.022 20 0 CIADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000215091305 327214962 /nfs/dbraw/zinc/21/49/62/327214962.db2.gz MPBWYXLFXSOZFP-GFCCVEGCSA-N 2 1 298.833 4.003 20 0 CIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000559751800 327259572 /nfs/dbraw/zinc/25/95/72/327259572.db2.gz BUUOVJIWUHTCLX-MSOLQXFVSA-N 2 1 292.511 4.199 20 0 CIADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCCCCC2)C1 ZINC000559879511 327266225 /nfs/dbraw/zinc/26/62/25/327266225.db2.gz XMKQJVQJLNLDGG-CALCHBBNSA-N 2 1 280.500 4.057 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC=C(C)CC2)cc1 ZINC000559921864 327271972 /nfs/dbraw/zinc/27/19/72/327271972.db2.gz MVUVYPZYHPCRFU-QAPCUYQASA-N 2 1 295.430 4.330 20 0 CIADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000178247750 329195024 /nfs/dbraw/zinc/19/50/24/329195024.db2.gz QZFWZZVKLWQDNE-CQSZACIVSA-N 2 1 292.492 4.196 20 0 CIADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1ccsc1 ZINC000183184057 329245056 /nfs/dbraw/zinc/24/50/56/329245056.db2.gz UHDQSROERUAYHE-RRFJBIMHSA-N 2 1 292.492 4.052 20 0 CIADMP CCCC[C@H](C)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000582928634 329286209 /nfs/dbraw/zinc/28/62/09/329286209.db2.gz PBVFFUQFFRAZFK-XLAORIBOSA-N 2 1 294.527 4.444 20 0 CIADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1C ZINC000422748729 330153253 /nfs/dbraw/zinc/15/32/53/330153253.db2.gz VUYUZOQTVLPTFS-JVPBZIDWSA-N 2 1 280.415 4.099 20 0 CIADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCCC1 ZINC000422779737 330154799 /nfs/dbraw/zinc/15/47/99/330154799.db2.gz IUHAHLFAPIPOJT-SNRMKQJTSA-N 2 1 286.463 4.038 20 0 CIADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCCC1 ZINC000422779735 330154848 /nfs/dbraw/zinc/15/48/48/330154848.db2.gz IUHAHLFAPIPOJT-IPELMVKDSA-N 2 1 286.463 4.038 20 0 CIADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422882168 330158777 /nfs/dbraw/zinc/15/87/77/330158777.db2.gz AJIDNVXRERIBMN-ZOCIIQOWSA-N 2 1 280.415 4.099 20 0 CIADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)c2ccccc21 ZINC000422951237 330163975 /nfs/dbraw/zinc/16/39/75/330163975.db2.gz ZYOHUHFPBAJCSG-SQNIBIBYSA-N 2 1 298.817 4.062 20 0 CIADMP CC[C@H](C)c1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000527856752 330289013 /nfs/dbraw/zinc/28/90/13/330289013.db2.gz WNWKBEYQZBFCMB-LSDHHAIUSA-N 2 1 285.435 4.056 20 0 CIADMP CCC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044534213 330329841 /nfs/dbraw/zinc/32/98/41/330329841.db2.gz CKEZPZSIECDXFF-YOEHRIQHSA-N 2 1 294.870 4.113 20 0 CIADMP CC(C)[C@@H](C)[NH+](C)CCCCC[N@H+](C)[C@H](C)C(C)C ZINC000533247176 330355306 /nfs/dbraw/zinc/35/53/06/330355306.db2.gz YMPPVPJDPKQKAT-IAGOWNOFSA-N 2 1 270.505 4.109 20 0 CIADMP CC(C)C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccs1 ZINC000453397644 331128096 /nfs/dbraw/zinc/12/80/96/331128096.db2.gz JULSZUMBQATFRU-INIZCTEOSA-N 2 1 294.508 4.299 20 0 CIADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000453403737 331129065 /nfs/dbraw/zinc/12/90/65/331129065.db2.gz OPXZSUYEUUGAIU-LBPRGKRZSA-N 2 1 298.833 4.004 20 0 CIADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2sccc21 ZINC000453417595 331130432 /nfs/dbraw/zinc/13/04/32/331130432.db2.gz XVJRZDZFGZZRJO-CZUORRHYSA-N 2 1 292.492 4.151 20 0 CIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCC(C)(C)CC1 ZINC000462680065 331325148 /nfs/dbraw/zinc/32/51/48/331325148.db2.gz ITZLFJQPAVTYKF-INIZCTEOSA-N 2 1 280.500 4.199 20 0 CIADMP CC[NH+](Cc1ccccc1C[N@H+](CC)C(C)C)C(C)C ZINC000488792777 332025804 /nfs/dbraw/zinc/02/58/04/332025804.db2.gz GQDIDGREBUZXCI-UHFFFAOYSA-N 2 1 276.468 4.147 20 0 CIADMP Cc1cccc([C@H](C)[NH+]2CCC([NH+]3CCCCC3)CC2)c1 ZINC000489116796 332041907 /nfs/dbraw/zinc/04/19/07/332041907.db2.gz MQUXTZWGIDDYKI-KRWDZBQOSA-N 2 1 286.463 4.006 20 0 CIADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1C)C1CCCC1 ZINC000495066215 332502804 /nfs/dbraw/zinc/50/28/04/332502804.db2.gz GUQKTCDHESKHEO-IBGZPJMESA-N 2 1 297.446 4.021 20 0 CIADMP CCC[C@H](CC)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309871341 333050627 /nfs/dbraw/zinc/05/06/27/333050627.db2.gz RFPXPWGLCHCAKI-QRQLOZEOSA-N 2 1 288.479 4.065 20 0 CIADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3ccccc32)CC1 ZINC000514003073 333059165 /nfs/dbraw/zinc/05/91/65/333059165.db2.gz GTFLJZOXGMPVIA-UHFFFAOYSA-N 2 1 296.458 4.144 20 0 CIADMP CCC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178029280 333066868 /nfs/dbraw/zinc/06/68/68/333066868.db2.gz ZLWWURCGVCGZNN-UONOGXRCSA-N 2 1 271.408 4.020 20 0 CIADMP CCC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178029257 333066892 /nfs/dbraw/zinc/06/68/92/333066892.db2.gz ZLWWURCGVCGZNN-KBPBESRZSA-N 2 1 271.408 4.020 20 0 CIADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)c1cccs1 ZINC000183197944 333119332 /nfs/dbraw/zinc/11/93/32/333119332.db2.gz VHEYGJHGGATSIR-SOUVJXGZSA-N 2 1 292.492 4.052 20 0 CIADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cc2ccccc2s1 ZINC000219092178 333141359 /nfs/dbraw/zinc/14/13/59/333141359.db2.gz ZPYIKTQICURCCJ-CQSZACIVSA-N 2 1 290.476 4.282 20 0 CIADMP C[C@@H]([NH2+]C1(C[NH2+][C@@H](C)C2CC2)CCCC1)c1ccccc1 ZINC000237541326 333380090 /nfs/dbraw/zinc/38/00/90/333380090.db2.gz BPYJGLANVIXCQV-JKSUJKDBSA-N 2 1 286.463 4.038 20 0 CIADMP CC1(C)CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000315629657 333382750 /nfs/dbraw/zinc/38/27/50/333382750.db2.gz XPAAGCDATCQBRU-LJQANCHMSA-N 2 1 298.474 4.016 20 0 CIADMP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(C)ccc1C ZINC000530221547 333528791 /nfs/dbraw/zinc/52/87/91/333528791.db2.gz GGNJDPQYNRIQRR-HSALFYBXSA-N 2 1 294.442 4.489 20 0 CIADMP CC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cc(C)ccc1C ZINC000530221549 333528863 /nfs/dbraw/zinc/52/88/63/333528863.db2.gz GGNJDPQYNRIQRR-UFYCRDLUSA-N 2 1 294.442 4.489 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1)C1CCC1 ZINC000128289700 333649196 /nfs/dbraw/zinc/64/91/96/333649196.db2.gz HKGLETHTQUDGKR-LJQANCHMSA-N 2 1 297.446 4.103 20 0 CIADMP CCC[C@@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccccc1 ZINC000540509510 333733258 /nfs/dbraw/zinc/73/32/58/333733258.db2.gz YNHWMIMNDPKONB-LPHOPBHVSA-N 2 1 299.462 4.001 20 0 CIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000549526082 334196133 /nfs/dbraw/zinc/19/61/33/334196133.db2.gz IFHDDMDKKJVBTL-INIZCTEOSA-N 2 1 292.511 4.057 20 0 CIADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550587769 334224950 /nfs/dbraw/zinc/22/49/50/334224950.db2.gz DEGGYPUIHLDAEL-QXAKKESOSA-N 2 1 288.479 4.236 20 0 CIADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550587769 334224951 /nfs/dbraw/zinc/22/49/51/334224951.db2.gz DEGGYPUIHLDAEL-QXAKKESOSA-N 2 1 288.479 4.236 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C2CCCCC2)CC[N@@H+]1C ZINC000252193174 334376286 /nfs/dbraw/zinc/37/62/86/334376286.db2.gz VFCDTEQIQOYKNR-YSHGAJCASA-N 2 1 292.511 4.198 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2C2CCCCC2)CC[N@H+]1C ZINC000252193174 334376287 /nfs/dbraw/zinc/37/62/87/334376287.db2.gz VFCDTEQIQOYKNR-YSHGAJCASA-N 2 1 292.511 4.198 20 0 CIADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](CC(C)(C)C)c2ccccc2)C1 ZINC000252438359 334380099 /nfs/dbraw/zinc/38/00/99/334380099.db2.gz AHGLZHDQJWTWQL-SJLPKXTDSA-N 2 1 288.479 4.095 20 0 CIADMP CC1=CC[C@@H]([NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CC1 ZINC000567338476 334705328 /nfs/dbraw/zinc/70/53/28/334705328.db2.gz NVEPUJDHKCNKFS-IEBWSBKVSA-N 2 1 298.474 4.300 20 0 CIADMP CC[C@@H]1C[C@H](C)C[NH+]1CCCC[N@@H+]1C[C@@H](C)C[C@H]1CC ZINC000580684822 335322140 /nfs/dbraw/zinc/32/21/40/335322140.db2.gz XXOFGPNONYKXSE-WNRNVDISSA-N 2 1 280.500 4.007 20 0 CIADMP CC(C)CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccoc1 ZINC000353449712 519683147 /nfs/dbraw/zinc/68/31/47/519683147.db2.gz RPAACMUVTSJAFC-QGZVFWFLSA-N 2 1 280.456 4.077 20 0 CIADMP CC(C)CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccoc1 ZINC000353449712 519683150 /nfs/dbraw/zinc/68/31/50/519683150.db2.gz RPAACMUVTSJAFC-QGZVFWFLSA-N 2 1 280.456 4.077 20 0 CIADMP CCC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000157344935 521172069 /nfs/dbraw/zinc/17/20/69/521172069.db2.gz IIBVPKHPQCYXIG-GBESFXJTSA-N 2 1 280.415 4.262 20 0 CIADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000130240688 522927240 /nfs/dbraw/zinc/92/72/40/522927240.db2.gz KVXTTYCNOPMROU-BRWVUGGUSA-N 2 1 292.854 4.008 20 0 CIADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c(C)s1 ZINC000157364105 525527193 /nfs/dbraw/zinc/52/71/93/525527193.db2.gz XXTYCXMISNZFMU-MZPVMMEZSA-N 2 1 286.444 4.160 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000345021296 225234493 /nfs/dbraw/zinc/23/44/93/225234493.db2.gz VPDPSEFMQVNZEH-WBVHZDCISA-N 2 1 295.430 4.188 20 0 CIADMP CC[C@H](C)[N@@H+](CCCCn1ccnc1C)Cc1ccccc1 ZINC000179400033 260046644 /nfs/dbraw/zinc/04/66/44/260046644.db2.gz UQBHWIVUVOVGOV-KRWDZBQOSA-N 2 1 299.462 4.272 20 0 CIADMP CC[C@H](C)[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000179400033 260046645 /nfs/dbraw/zinc/04/66/45/260046645.db2.gz UQBHWIVUVOVGOV-KRWDZBQOSA-N 2 1 299.462 4.272 20 0 CIADMP CC[C@H](C)[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000179400033 260046646 /nfs/dbraw/zinc/04/66/46/260046646.db2.gz UQBHWIVUVOVGOV-KRWDZBQOSA-N 2 1 299.462 4.272 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000525488590 260200525 /nfs/dbraw/zinc/20/05/25/260200525.db2.gz YLKPBWYKHYQOCM-RHSMWYFYSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000525488590 260200526 /nfs/dbraw/zinc/20/05/26/260200526.db2.gz YLKPBWYKHYQOCM-RHSMWYFYSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000525488590 260200528 /nfs/dbraw/zinc/20/05/28/260200528.db2.gz YLKPBWYKHYQOCM-RHSMWYFYSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000525488590 260200529 /nfs/dbraw/zinc/20/05/29/260200529.db2.gz YLKPBWYKHYQOCM-RHSMWYFYSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000525488590 260200530 /nfs/dbraw/zinc/20/05/30/260200530.db2.gz YLKPBWYKHYQOCM-RHSMWYFYSA-N 2 1 294.870 4.065 20 0 CIADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(CC(C)C)c2)CC1 ZINC000514082262 261198820 /nfs/dbraw/zinc/19/88/20/261198820.db2.gz GIPLGHIBTXAFBJ-MRXNPFEDSA-N 2 1 288.479 4.020 20 0 CIADMP CCC[C@@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390553166 262214923 /nfs/dbraw/zinc/21/49/23/262214923.db2.gz KRRHLPAYOVUVAH-AEFFLSMTSA-N 2 1 288.479 4.065 20 0 CIADMP CCC[C@@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390553166 262214925 /nfs/dbraw/zinc/21/49/25/262214925.db2.gz KRRHLPAYOVUVAH-AEFFLSMTSA-N 2 1 288.479 4.065 20 0 CIADMP CCC(CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390607850 262227057 /nfs/dbraw/zinc/22/70/57/262227057.db2.gz WDGREHZVKWHHHJ-SFHVURJKSA-N 2 1 288.479 4.065 20 0 CIADMP CCC(CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390607850 262227058 /nfs/dbraw/zinc/22/70/58/262227058.db2.gz WDGREHZVKWHHHJ-SFHVURJKSA-N 2 1 288.479 4.065 20 0 CIADMP CSc1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157328440 264320276 /nfs/dbraw/zinc/32/02/76/264320276.db2.gz LINGKBRMKNBPNQ-IGNZVWTISA-N 2 1 298.455 4.204 20 0 CIADMP C[C@@H]1CC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000359069334 266530199 /nfs/dbraw/zinc/53/01/99/266530199.db2.gz MPRHXYDMWKKLDP-FLAIETJXSA-N 2 1 298.474 4.232 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C1CCCCC1 ZINC000119252957 267313105 /nfs/dbraw/zinc/31/31/05/267313105.db2.gz PTUUXLOTNSCQHC-GOSISDBHSA-N 2 1 289.467 4.016 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000119252957 267313108 /nfs/dbraw/zinc/31/31/08/267313108.db2.gz PTUUXLOTNSCQHC-GOSISDBHSA-N 2 1 289.467 4.016 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(Cl)s1 ZINC000164611919 327722668 /nfs/dbraw/zinc/72/26/68/327722668.db2.gz SKBCXZLQFYDOFV-NSHDSACASA-N 2 1 297.855 4.037 20 0 CIADMP CCC(C)(C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000570972343 327967264 /nfs/dbraw/zinc/96/72/64/327967264.db2.gz BATNTALQXQRTFZ-CQSZACIVSA-N 2 1 285.435 4.268 20 0 CIADMP Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000531691551 328024619 /nfs/dbraw/zinc/02/46/19/328024619.db2.gz FCCFLLQTCWQUTH-ROUUACIJSA-N 2 1 288.479 4.300 20 0 CIADMP CCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000125991137 328040381 /nfs/dbraw/zinc/04/03/81/328040381.db2.gz YHDAFDKRVAPXBF-LSDHHAIUSA-N 2 1 294.508 4.082 20 0 CIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000303944156 328370902 /nfs/dbraw/zinc/37/09/02/328370902.db2.gz UEUMRYSRNMIHGJ-HKUYNNGSSA-N 2 1 292.511 4.153 20 0 CIADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000303944156 328370903 /nfs/dbraw/zinc/37/09/03/328370903.db2.gz UEUMRYSRNMIHGJ-HKUYNNGSSA-N 2 1 292.511 4.153 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000531979053 328372127 /nfs/dbraw/zinc/37/21/27/328372127.db2.gz ARSDLOIPEXFJQS-HUUCEWRRSA-N 2 1 285.435 4.123 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+]C1(c2ccccc2)CCCCC1 ZINC000536477207 327241029 /nfs/dbraw/zinc/24/10/29/327241029.db2.gz XBQZNPGKVUXGPO-UHFFFAOYSA-N 2 1 297.446 4.031 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC=C(C)CC2)cc1 ZINC000559921860 327271960 /nfs/dbraw/zinc/27/19/60/327271960.db2.gz MVUVYPZYHPCRFU-CRAIPNDOSA-N 2 1 295.430 4.330 20 0 CIADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCCCC3)CC23CC3)cc1 ZINC000582486145 329096492 /nfs/dbraw/zinc/09/64/92/329096492.db2.gz AFMRFXPFDUSEKB-LJQANCHMSA-N 2 1 298.474 4.106 20 0 CIADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCCCC3)CC23CC3)cc1 ZINC000582486145 329096494 /nfs/dbraw/zinc/09/64/94/329096494.db2.gz AFMRFXPFDUSEKB-LJQANCHMSA-N 2 1 298.474 4.106 20 0 CIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000178703695 329202615 /nfs/dbraw/zinc/20/26/15/329202615.db2.gz MLAAZOGOLJSQHI-DOXZYTNZSA-N 2 1 297.446 4.056 20 0 CIADMP C[C@@H]([NH2+][C@@H](C)c1ccsc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183184075 329245035 /nfs/dbraw/zinc/24/50/35/329245035.db2.gz UHDQSROERUAYHE-QLFBSQMISA-N 2 1 292.492 4.052 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379637443 330144034 /nfs/dbraw/zinc/14/40/34/330144034.db2.gz YRTHQRKKJWYZJR-LSTDLKDCSA-N 2 1 288.479 4.064 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379637443 330144033 /nfs/dbraw/zinc/14/40/33/330144033.db2.gz YRTHQRKKJWYZJR-LSTDLKDCSA-N 2 1 288.479 4.064 20 0 CIADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422778665 330154445 /nfs/dbraw/zinc/15/44/45/330154445.db2.gz HUXZDHMAUHNUFR-RBUKOAKNSA-N 2 1 294.442 4.219 20 0 CIADMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000422993982 330163253 /nfs/dbraw/zinc/16/32/53/330163253.db2.gz UMGDRHGBACUPGW-OTWHNJEPSA-N 2 1 292.426 4.143 20 0 CIADMP Cc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)CCC2 ZINC000423137048 330172143 /nfs/dbraw/zinc/17/21/43/330172143.db2.gz VZPDIVZEAQKTOA-VAMGGRTRSA-N 2 1 292.426 4.107 20 0 CIADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccc(Cl)c(Cl)c1Cl ZINC000423243164 330181998 /nfs/dbraw/zinc/18/19/98/330181998.db2.gz ZGCNMODZXCVNPU-JGVFFNPUSA-N 2 1 295.641 4.035 20 0 CIADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000423321002 330190377 /nfs/dbraw/zinc/19/03/77/330190377.db2.gz HFPIJEMDXSEUJB-MNOVXSKESA-N 2 1 294.851 4.066 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccs1 ZINC000536860261 330252762 /nfs/dbraw/zinc/25/27/62/330252762.db2.gz WVRSDJUYNULIJW-KMFMINBZSA-N 2 1 294.508 4.298 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccs1 ZINC000536860261 330252763 /nfs/dbraw/zinc/25/27/63/330252763.db2.gz WVRSDJUYNULIJW-KMFMINBZSA-N 2 1 294.508 4.298 20 0 CIADMP CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000527856751 330288973 /nfs/dbraw/zinc/28/89/73/330288973.db2.gz WNWKBEYQZBFCMB-HUUCEWRRSA-N 2 1 285.435 4.056 20 0 CIADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000212767440 330367312 /nfs/dbraw/zinc/36/73/12/330367312.db2.gz KDVUHAJRFSLAAP-CYBMUJFWSA-N 2 1 298.833 4.006 20 0 CIADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000119701825 330378833 /nfs/dbraw/zinc/37/88/33/330378833.db2.gz VVLZWCBZLCEPPU-MRXNPFEDSA-N 2 1 292.492 4.052 20 0 CIADMP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453143494 331093759 /nfs/dbraw/zinc/09/37/59/331093759.db2.gz FSUTWOPZPIXGNP-BBRMVZONSA-N 2 1 292.492 4.149 20 0 CIADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000453167929 331096506 /nfs/dbraw/zinc/09/65/06/331096506.db2.gz JGUAQVCHIOLLBS-DOTOQJQBSA-N 2 1 294.508 4.157 20 0 CIADMP Cc1ccc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)oc2c1 ZINC000453367978 331123600 /nfs/dbraw/zinc/12/36/00/331123600.db2.gz UGJAPZIJWJUFOV-HZTRTUMWSA-N 2 1 298.430 4.017 20 0 CIADMP Cc1ccc2cc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)oc2c1 ZINC000453367978 331123601 /nfs/dbraw/zinc/12/36/01/331123601.db2.gz UGJAPZIJWJUFOV-HZTRTUMWSA-N 2 1 298.430 4.017 20 0 CIADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453388636 331127068 /nfs/dbraw/zinc/12/70/68/331127068.db2.gz BUMAULMLNYDLHA-MAUKXSAKSA-N 2 1 286.463 4.007 20 0 CIADMP CCC[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccsc1 ZINC000453405881 331129267 /nfs/dbraw/zinc/12/92/67/331129267.db2.gz QRAORCCNZCIADL-INIZCTEOSA-N 2 1 280.481 4.053 20 0 CIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCC(C)(C)CC2)C1 ZINC000462679297 331325106 /nfs/dbraw/zinc/32/51/06/331325106.db2.gz IBYLOIKHSNYHDE-INIZCTEOSA-N 2 1 280.500 4.057 20 0 CIADMP CC[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000462745881 331327017 /nfs/dbraw/zinc/32/70/17/331327017.db2.gz QRRFEDMIAAFWPA-VQIMIIECSA-N 2 1 288.479 4.197 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000464787806 331368281 /nfs/dbraw/zinc/36/82/81/331368281.db2.gz FMSOQWKJLNKEFV-WMLDXEAASA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000464787806 331368282 /nfs/dbraw/zinc/36/82/82/331368282.db2.gz FMSOQWKJLNKEFV-WMLDXEAASA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000464787806 331368283 /nfs/dbraw/zinc/36/82/83/331368283.db2.gz FMSOQWKJLNKEFV-WMLDXEAASA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000464787806 331368284 /nfs/dbraw/zinc/36/82/84/331368284.db2.gz FMSOQWKJLNKEFV-WMLDXEAASA-N 2 1 294.870 4.065 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H](CC(C)C)C1 ZINC000474813102 331600382 /nfs/dbraw/zinc/60/03/82/331600382.db2.gz CDMFIMPQLFDNII-MSOLQXFVSA-N 2 1 291.483 4.166 20 0 CIADMP CC(C)CCC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccccc1 ZINC000480170397 331761265 /nfs/dbraw/zinc/76/12/65/331761265.db2.gz NBCPCLLKCNYMRT-LJQANCHMSA-N 2 1 288.479 4.238 20 0 CIADMP CC[C@H](C)[NH+](C)Cc1ccccc1C[N@H+](C)[C@@H](C)CC ZINC000489656750 332063417 /nfs/dbraw/zinc/06/34/17/332063417.db2.gz DDADVBZNMVSWDO-HOTGVXAUSA-N 2 1 276.468 4.147 20 0 CIADMP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000517187563 333094211 /nfs/dbraw/zinc/09/42/11/333094211.db2.gz OGRZZZVNDFRYNV-MSOLQXFVSA-N 2 1 288.479 4.094 20 0 CIADMP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000517187563 333094210 /nfs/dbraw/zinc/09/42/10/333094210.db2.gz OGRZZZVNDFRYNV-MSOLQXFVSA-N 2 1 288.479 4.094 20 0 CIADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](c1ccc(Cl)cc1)C1CC1 ZINC000223024947 333203397 /nfs/dbraw/zinc/20/33/97/333203397.db2.gz WOIBNJOWASMXCW-KRWDZBQOSA-N 2 1 294.870 4.111 20 0 CIADMP CCC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000224110026 333216892 /nfs/dbraw/zinc/21/68/92/333216892.db2.gz NHWOKXOWSXSTJU-JQFCIGGWSA-N 2 1 294.870 4.254 20 0 CIADMP CCC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000224110026 333216893 /nfs/dbraw/zinc/21/68/93/333216893.db2.gz NHWOKXOWSXSTJU-JQFCIGGWSA-N 2 1 294.870 4.254 20 0 CIADMP CCC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000227537681 333285200 /nfs/dbraw/zinc/28/52/00/333285200.db2.gz IIBVPKHPQCYXIG-CEXWTWQISA-N 2 1 280.415 4.262 20 0 CIADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1Cl ZINC000523851275 333347964 /nfs/dbraw/zinc/34/79/64/333347964.db2.gz NAVWKPSPAWEAPW-CZUORRHYSA-N 2 1 296.886 4.357 20 0 CIADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2ccccc2c1 ZINC000524755513 333386581 /nfs/dbraw/zinc/38/65/81/333386581.db2.gz DILYHGZDZUAZGH-FQEVSTJZSA-N 2 1 296.458 4.146 20 0 CIADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2ccccc2c1 ZINC000524755513 333386583 /nfs/dbraw/zinc/38/65/83/333386583.db2.gz DILYHGZDZUAZGH-FQEVSTJZSA-N 2 1 296.458 4.146 20 0 CIADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2ccccc2c1 ZINC000524755513 333386584 /nfs/dbraw/zinc/38/65/84/333386584.db2.gz DILYHGZDZUAZGH-FQEVSTJZSA-N 2 1 296.458 4.146 20 0 CIADMP CC[NH+]1CCC([NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000037128475 333490745 /nfs/dbraw/zinc/49/07/45/333490745.db2.gz UVWZXMSWXCQERV-GOSISDBHSA-N 2 1 288.479 4.238 20 0 CIADMP CC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cc(C)ccc1C ZINC000530221546 333528877 /nfs/dbraw/zinc/52/88/77/333528877.db2.gz GGNJDPQYNRIQRR-AABGKKOBSA-N 2 1 294.442 4.489 20 0 CIADMP CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1CCCCC1 ZINC000540170474 333717222 /nfs/dbraw/zinc/71/72/22/333717222.db2.gz YUSINGBFZOFVET-CRAIPNDOSA-N 2 1 291.483 4.166 20 0 CIADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000576128480 335158475 /nfs/dbraw/zinc/15/84/75/335158475.db2.gz BVSFEVYGHUAQNN-QGZVFWFLSA-N 2 1 299.462 4.200 20 0 CIADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1c(C)cc(C)cc1C ZINC000576128480 335158477 /nfs/dbraw/zinc/15/84/77/335158477.db2.gz BVSFEVYGHUAQNN-QGZVFWFLSA-N 2 1 299.462 4.200 20 0 CIADMP CC(C)=CCC[C@H](C)CC[N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000564322790 334094950 /nfs/dbraw/zinc/09/49/50/334094950.db2.gz AXBZOQOGUXGWSA-KSZLIROESA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C ZINC000564322790 334094952 /nfs/dbraw/zinc/09/49/52/334094952.db2.gz AXBZOQOGUXGWSA-KSZLIROESA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000564322790 334094953 /nfs/dbraw/zinc/09/49/53/334094953.db2.gz AXBZOQOGUXGWSA-KSZLIROESA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000564322790 334094955 /nfs/dbraw/zinc/09/49/55/334094955.db2.gz AXBZOQOGUXGWSA-KSZLIROESA-N 2 1 280.500 4.031 20 0 CIADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN([C@@H]2C=CCCCCC2)C1 ZINC000549527985 334196400 /nfs/dbraw/zinc/19/64/00/334196400.db2.gz ZGDGGPSISJGAKI-HCXYKTFWSA-N 2 1 290.495 4.213 20 0 CIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000550623150 334225732 /nfs/dbraw/zinc/22/57/32/334225732.db2.gz SUXVVLYSWRVVOP-ZWKOTPCHSA-N 2 1 292.511 4.201 20 0 CIADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000550623149 334225734 /nfs/dbraw/zinc/22/57/34/334225734.db2.gz SUXVVLYSWRVVOP-ROUUACIJSA-N 2 1 292.511 4.201 20 0 CIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000550701320 334227188 /nfs/dbraw/zinc/22/71/88/334227188.db2.gz YRKFXCXMJCKZHX-FFZOFVMBSA-N 2 1 294.442 4.173 20 0 CIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)c1ccccc1 ZINC000550701320 334227189 /nfs/dbraw/zinc/22/71/89/334227189.db2.gz YRKFXCXMJCKZHX-FFZOFVMBSA-N 2 1 294.442 4.173 20 0 CIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000550701322 334227222 /nfs/dbraw/zinc/22/72/22/334227222.db2.gz YRKFXCXMJCKZHX-VDGAXYAQSA-N 2 1 294.442 4.173 20 0 CIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)c1ccccc1 ZINC000550701322 334227223 /nfs/dbraw/zinc/22/72/23/334227223.db2.gz YRKFXCXMJCKZHX-VDGAXYAQSA-N 2 1 294.442 4.173 20 0 CIADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000247920188 334291422 /nfs/dbraw/zinc/29/14/22/334291422.db2.gz BAZRQCIOOSVGPC-CPUCHLNUSA-N 2 1 294.870 4.109 20 0 CIADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1Cl ZINC000247920188 334291423 /nfs/dbraw/zinc/29/14/23/334291423.db2.gz BAZRQCIOOSVGPC-CPUCHLNUSA-N 2 1 294.870 4.109 20 0 CIADMP C1C[C@H]2C[C@@H]([NH2+]C3CCC4(CCCCC4)CC3)CC[N@H+]2C1 ZINC000248889421 334320903 /nfs/dbraw/zinc/32/09/03/334320903.db2.gz YMMDGHJLLUXYTI-ROUUACIJSA-N 2 1 290.495 4.096 20 0 CIADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(Cl)c1 ZINC000252637054 334383751 /nfs/dbraw/zinc/38/37/51/334383751.db2.gz HKMKPKYZSACHAP-IKGGRYGDSA-N 2 1 292.854 4.008 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)[C@@H](C)C1CCCCC1 ZINC000164645132 334884844 /nfs/dbraw/zinc/88/48/44/334884844.db2.gz GTGYHAGNBWCZNW-CVEARBPZSA-N 2 1 291.483 4.166 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)[C@H](C)C1CCCCC1 ZINC000164645450 334885149 /nfs/dbraw/zinc/88/51/49/334885149.db2.gz GTGYHAGNBWCZNW-JKSUJKDBSA-N 2 1 291.483 4.166 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000164705456 334885843 /nfs/dbraw/zinc/88/58/43/334885843.db2.gz FFQMWICKMMKMFY-QGZVFWFLSA-N 2 1 299.462 4.248 20 0 CIADMP Cc1ccncc1CCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000576672514 335233264 /nfs/dbraw/zinc/23/32/64/335233264.db2.gz WOSXOUNLILLCRK-UHFFFAOYSA-N 2 1 272.436 4.001 20 0 CIADMP C[N@@H+]1CC=C(C[NH2+][C@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000344285640 335245647 /nfs/dbraw/zinc/24/56/47/335245647.db2.gz HNHMYICOJYQOEH-GOSISDBHSA-N 2 1 286.463 4.015 20 0 CIADMP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000182150971 335801527 /nfs/dbraw/zinc/80/15/27/335801527.db2.gz HNDFFPJEODCPML-INIZCTEOSA-N 2 1 288.479 4.333 20 0 CIADMP CC(C)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157431036 519836322 /nfs/dbraw/zinc/83/63/22/519836322.db2.gz VEHUCKFTMVKZTC-RBUKOAKNSA-N 2 1 280.415 4.044 20 0 CIADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000130240895 522755983 /nfs/dbraw/zinc/75/59/83/522755983.db2.gz KVXTTYCNOPMROU-BBWFWOEESA-N 2 1 292.854 4.008 20 0 CIADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000088163874 525405388 /nfs/dbraw/zinc/40/53/88/525405388.db2.gz SSYVNTBRKOGEES-FCLXEUQJSA-N 2 1 292.854 4.006 20 0 CIADMP C[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000088163874 525405397 /nfs/dbraw/zinc/40/53/97/525405397.db2.gz SSYVNTBRKOGEES-FCLXEUQJSA-N 2 1 292.854 4.006 20 0 CIADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)c1ccco1 ZINC000340193740 525463328 /nfs/dbraw/zinc/46/33/28/525463328.db2.gz DZMFNJFPEGBRCE-INIZCTEOSA-N 2 1 298.430 4.116 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1ccccc1C ZINC000191510360 528867751 /nfs/dbraw/zinc/86/77/51/528867751.db2.gz ZGICPQWEWBLYON-QGZVFWFLSA-N 2 1 299.462 4.227 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1ccccc1C ZINC000191510360 528867754 /nfs/dbraw/zinc/86/77/54/528867754.db2.gz ZGICPQWEWBLYON-QGZVFWFLSA-N 2 1 299.462 4.227 20 0 CIADMP CC[C@@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C)c1 ZINC000353610291 529681258 /nfs/dbraw/zinc/68/12/58/529681258.db2.gz WDXPVQFRHCEHTI-CTWPCTMYSA-N 2 1 286.463 4.053 20 0 CIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCC23CC3)CC1 ZINC000573625634 334953383 /nfs/dbraw/zinc/95/33/83/334953383.db2.gz PLKXJVJNKIIFBQ-QFBILLFUSA-N 2 1 298.474 4.134 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CC=CCC2)cc1 ZINC000345021294 225233849 /nfs/dbraw/zinc/23/38/49/225233849.db2.gz VPDPSEFMQVNZEH-RDJZCZTQSA-N 2 1 295.430 4.188 20 0 CIADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000352802910 227238406 /nfs/dbraw/zinc/23/84/06/227238406.db2.gz XAECITCVXBMNJA-VQIMIIECSA-N 2 1 297.446 4.055 20 0 CIADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)CC[C@@H]1c1ccccc1 ZINC000352802910 227238410 /nfs/dbraw/zinc/23/84/10/227238410.db2.gz XAECITCVXBMNJA-VQIMIIECSA-N 2 1 297.446 4.055 20 0 CIADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000352802909 227238530 /nfs/dbraw/zinc/23/85/30/227238530.db2.gz XAECITCVXBMNJA-QFBILLFUSA-N 2 1 297.446 4.055 20 0 CIADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)CC[C@@H]1c1ccccc1 ZINC000352802909 227238531 /nfs/dbraw/zinc/23/85/31/227238531.db2.gz XAECITCVXBMNJA-QFBILLFUSA-N 2 1 297.446 4.055 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000525488591 260200355 /nfs/dbraw/zinc/20/03/55/260200355.db2.gz YLKPBWYKHYQOCM-WMLDXEAASA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000525488591 260200356 /nfs/dbraw/zinc/20/03/56/260200356.db2.gz YLKPBWYKHYQOCM-WMLDXEAASA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000525488591 260200357 /nfs/dbraw/zinc/20/03/57/260200357.db2.gz YLKPBWYKHYQOCM-WMLDXEAASA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000525488591 260200358 /nfs/dbraw/zinc/20/03/58/260200358.db2.gz YLKPBWYKHYQOCM-WMLDXEAASA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000525488591 260200359 /nfs/dbraw/zinc/20/03/59/260200359.db2.gz YLKPBWYKHYQOCM-WMLDXEAASA-N 2 1 294.870 4.065 20 0 CIADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cc2ccccc2s1 ZINC000177985322 261374104 /nfs/dbraw/zinc/37/41/04/261374104.db2.gz WLGANAPJGFASLV-VNHYZAJKSA-N 2 1 288.460 4.035 20 0 CIADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2ccccc2s1 ZINC000177985322 261374106 /nfs/dbraw/zinc/37/41/06/261374106.db2.gz WLGANAPJGFASLV-VNHYZAJKSA-N 2 1 288.460 4.035 20 0 CIADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cc2ccccc2s1 ZINC000177985350 261374703 /nfs/dbraw/zinc/37/47/03/261374703.db2.gz WLGANAPJGFASLV-IPYPFGDCSA-N 2 1 288.460 4.035 20 0 CIADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cc2ccccc2s1 ZINC000177985350 261374704 /nfs/dbraw/zinc/37/47/04/261374704.db2.gz WLGANAPJGFASLV-IPYPFGDCSA-N 2 1 288.460 4.035 20 0 CIADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000086957052 262347091 /nfs/dbraw/zinc/34/70/91/262347091.db2.gz LHEBBKYPPVSZTL-BBWFWOEESA-N 2 1 292.511 4.055 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(Cl)s1 ZINC000164612043 327722732 /nfs/dbraw/zinc/72/27/32/327722732.db2.gz SKBCXZLQFYDOFV-LLVKDONJSA-N 2 1 297.855 4.037 20 0 CIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000531703063 328026325 /nfs/dbraw/zinc/02/63/25/328026325.db2.gz ARCAFWXPMRKQOM-GJZGRUSLSA-N 2 1 294.870 4.111 20 0 CIADMP CC(C)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303764262 328357979 /nfs/dbraw/zinc/35/79/79/328357979.db2.gz PFYHIKXEMVZYRF-PKOBYXMFSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303764262 328357981 /nfs/dbraw/zinc/35/79/81/328357981.db2.gz PFYHIKXEMVZYRF-PKOBYXMFSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303764262 328357983 /nfs/dbraw/zinc/35/79/83/328357983.db2.gz PFYHIKXEMVZYRF-PKOBYXMFSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303764262 328357984 /nfs/dbraw/zinc/35/79/84/328357984.db2.gz PFYHIKXEMVZYRF-PKOBYXMFSA-N 2 1 288.479 4.017 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](C)C(C)C)cc1 ZINC000531979051 328371831 /nfs/dbraw/zinc/37/18/31/328371831.db2.gz ARSDLOIPEXFJQS-CABCVRRESA-N 2 1 285.435 4.123 20 0 CIADMP CC(C)CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000569527047 327192077 /nfs/dbraw/zinc/19/20/77/327192077.db2.gz IZZUGYJNDZGOAV-KRWDZBQOSA-N 2 1 280.500 4.054 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC=C(C)CC2)cc1 ZINC000559921862 327271948 /nfs/dbraw/zinc/27/19/48/327271948.db2.gz MVUVYPZYHPCRFU-MAUKXSAKSA-N 2 1 295.430 4.330 20 0 CIADMP CC[NH+](CCCC[N@H+](CC)C1CCCC1)C1CCCC1 ZINC000561293882 327383138 /nfs/dbraw/zinc/38/31/38/327383138.db2.gz PCTDKSOGEZGWDY-UHFFFAOYSA-N 2 1 280.500 4.296 20 0 CIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000178097803 329192524 /nfs/dbraw/zinc/19/25/24/329192524.db2.gz YBQVCGQZGXVCNL-CABCVRRESA-N 2 1 280.481 4.053 20 0 CIADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000178097813 329192620 /nfs/dbraw/zinc/19/26/20/329192620.db2.gz YBQVCGQZGXVCNL-GJZGRUSLSA-N 2 1 280.481 4.053 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CC[C@H](C)c2ccccc21 ZINC000178703706 329202765 /nfs/dbraw/zinc/20/27/65/329202765.db2.gz MLAAZOGOLJSQHI-VCBZYWHSSA-N 2 1 297.446 4.056 20 0 CIADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379630711 330144508 /nfs/dbraw/zinc/14/45/08/330144508.db2.gz QDPIYPFHBBGXLD-JENIJYKNSA-N 2 1 288.479 4.064 20 0 CIADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379630711 330144509 /nfs/dbraw/zinc/14/45/09/330144509.db2.gz QDPIYPFHBBGXLD-JENIJYKNSA-N 2 1 288.479 4.064 20 0 CIADMP CCC(C)(C)c1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422998450 330163455 /nfs/dbraw/zinc/16/34/55/330163455.db2.gz CTKPNCJSSHCVNI-CQSZACIVSA-N 2 1 297.446 4.033 20 0 CIADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)c2ccccc21 ZINC000422951234 330164143 /nfs/dbraw/zinc/16/41/43/330164143.db2.gz ZYOHUHFPBAJCSG-FGTMMUONSA-N 2 1 298.817 4.062 20 0 CIADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423036057 330166615 /nfs/dbraw/zinc/16/66/15/330166615.db2.gz KQVYPEUAJPOKCA-JCGIZDLHSA-N 2 1 280.415 4.099 20 0 CIADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)CCC2 ZINC000423137047 330172127 /nfs/dbraw/zinc/17/21/27/330172127.db2.gz VZPDIVZEAQKTOA-AQNXPRMDSA-N 2 1 292.426 4.107 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC23CC3)cc1 ZINC000527873588 330290945 /nfs/dbraw/zinc/29/09/45/330290945.db2.gz WBNXHCCQHOYTLN-DEYYWGMASA-N 2 1 295.430 4.020 20 0 CIADMP CCC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044534217 330329828 /nfs/dbraw/zinc/32/98/28/330329828.db2.gz CKEZPZSIECDXFF-PBHICJAKSA-N 2 1 294.870 4.113 20 0 CIADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000424375424 330348443 /nfs/dbraw/zinc/34/84/43/330348443.db2.gz NCMPFVMARYEIOC-LERXQTSPSA-N 2 1 292.810 4.007 20 0 CIADMP CC(C)[NH2+]C1CC[NH+]([C@@H](C)c2ccc3ccccc3c2)CC1 ZINC000108371078 330353569 /nfs/dbraw/zinc/35/35/69/330353569.db2.gz VAQFGCBMZNKHSG-INIZCTEOSA-N 2 1 296.458 4.363 20 0 CIADMP CC(C)[NH2+]C1CC[NH+]([C@H](C)c2ccc3ccccc3c2)CC1 ZINC000108371082 330353655 /nfs/dbraw/zinc/35/36/55/330353655.db2.gz VAQFGCBMZNKHSG-MRXNPFEDSA-N 2 1 296.458 4.363 20 0 CIADMP CC(C)[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000536998893 330375437 /nfs/dbraw/zinc/37/54/37/330375437.db2.gz PGMMGDAUSKUUCW-IEBWSBKVSA-N 2 1 288.479 4.094 20 0 CIADMP CCC(CC)[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000537050084 330394925 /nfs/dbraw/zinc/39/49/25/330394925.db2.gz BMHRAEHIXXRVKA-LJQANCHMSA-N 2 1 299.462 4.349 20 0 CIADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000447562053 330870022 /nfs/dbraw/zinc/87/00/22/330870022.db2.gz KKYYOMHQPCSUMF-WOJBJXKFSA-N 2 1 298.474 4.087 20 0 CIADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C2CC2)c1 ZINC000453397655 331128171 /nfs/dbraw/zinc/12/81/71/331128171.db2.gz JWAUBDKJHDDWFW-HNNXBMFYSA-N 2 1 286.463 4.089 20 0 CIADMP C[C@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2sccc21 ZINC000453417591 331130316 /nfs/dbraw/zinc/13/03/16/331130316.db2.gz XVJRZDZFGZZRJO-BBRMVZONSA-N 2 1 292.492 4.151 20 0 CIADMP C[N@@H+](CCCC[NH2+]Cc1ccc(C(C)(C)C)s1)C1CC1 ZINC000453592116 331135199 /nfs/dbraw/zinc/13/51/99/331135199.db2.gz DGLDKQJGKMTBEY-UHFFFAOYSA-N 2 1 294.508 4.010 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459783169 331300724 /nfs/dbraw/zinc/30/07/24/331300724.db2.gz ZJOFBQXDVVEFDF-KRDRHDLTSA-N 2 1 295.430 4.020 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459783168 331300796 /nfs/dbraw/zinc/30/07/96/331300796.db2.gz ZJOFBQXDVVEFDF-BIGGFVEDSA-N 2 1 295.430 4.020 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000464787803 331368324 /nfs/dbraw/zinc/36/83/24/331368324.db2.gz FMSOQWKJLNKEFV-PBHICJAKSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000464787803 331368325 /nfs/dbraw/zinc/36/83/25/331368325.db2.gz FMSOQWKJLNKEFV-PBHICJAKSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000464787803 331368326 /nfs/dbraw/zinc/36/83/26/331368326.db2.gz FMSOQWKJLNKEFV-PBHICJAKSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000464787803 331368327 /nfs/dbraw/zinc/36/83/27/331368327.db2.gz FMSOQWKJLNKEFV-PBHICJAKSA-N 2 1 294.870 4.065 20 0 CIADMP CC(C)C1CC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000488422905 332006243 /nfs/dbraw/zinc/00/62/43/332006243.db2.gz ZJOLLGDMLPNZRC-UHFFFAOYSA-N 2 1 288.479 4.051 20 0 CIADMP CC[C@@H](C)[NH+](C)Cc1ccccc1C[N@H+](C)[C@H](C)CC ZINC000489656752 332063366 /nfs/dbraw/zinc/06/33/66/332063366.db2.gz DDADVBZNMVSWDO-HZPDHXFCSA-N 2 1 276.468 4.147 20 0 CIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC23CCC3)CC1 ZINC000502729699 332671925 /nfs/dbraw/zinc/67/19/25/332671925.db2.gz ZLHYPUNQEUWGIH-APWZRJJASA-N 2 1 298.474 4.134 20 0 CIADMP CCCC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309711119 333047912 /nfs/dbraw/zinc/04/79/12/333047912.db2.gz KAGFGLDIZNNGCY-YQVWRLOYSA-N 2 1 288.479 4.065 20 0 CIADMP CC(C)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000517187565 333094336 /nfs/dbraw/zinc/09/43/36/333094336.db2.gz OGRZZZVNDFRYNV-ROUUACIJSA-N 2 1 288.479 4.094 20 0 CIADMP CC(C)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000517187565 333094337 /nfs/dbraw/zinc/09/43/37/333094337.db2.gz OGRZZZVNDFRYNV-ROUUACIJSA-N 2 1 288.479 4.094 20 0 CIADMP Cc1cc(C)cc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000521817730 333189601 /nfs/dbraw/zinc/18/96/01/333189601.db2.gz OIFVNYPERJNMKB-SFHVURJKSA-N 2 1 288.479 4.048 20 0 CIADMP Cc1cc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c(C)s1 ZINC000227538057 333285267 /nfs/dbraw/zinc/28/52/67/333285267.db2.gz XXTYCXMISNZFMU-JECHBYEQSA-N 2 1 286.444 4.160 20 0 CIADMP CC[NH+]1CCC([NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000037128474 333490810 /nfs/dbraw/zinc/49/08/10/333490810.db2.gz UVWZXMSWXCQERV-SFHVURJKSA-N 2 1 288.479 4.238 20 0 CIADMP CC[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000125147689 333564205 /nfs/dbraw/zinc/56/42/05/333564205.db2.gz VFGYZERRSUMSJJ-QFBILLFUSA-N 2 1 288.479 4.236 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1CCC(C)C ZINC000539069783 333654896 /nfs/dbraw/zinc/65/48/96/333654896.db2.gz XUYUDIGLYYJHPB-BPQIPLTHSA-N 2 1 291.483 4.022 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000540390669 333728030 /nfs/dbraw/zinc/72/80/30/333728030.db2.gz GCFUMYJHYJSSOG-SFHVURJKSA-N 2 1 299.462 4.267 20 0 CIADMP C[C@@H]1CC[C@H]([NH+](C)CCCC[N@H+](C)[C@@H]2CC[C@H](C)C2)C1 ZINC000549919993 334208518 /nfs/dbraw/zinc/20/85/18/334208518.db2.gz MQCZCGFPBYSLON-FZDBZEDMSA-N 2 1 280.500 4.007 20 0 CIADMP C[C@@H]1CC[C@H]([N@@H+](C)CCCC[NH+](C)[C@@H]2CC[C@H](C)C2)C1 ZINC000549919993 334208519 /nfs/dbraw/zinc/20/85/19/334208519.db2.gz MQCZCGFPBYSLON-FZDBZEDMSA-N 2 1 280.500 4.007 20 0 CIADMP C[C@@H]1CC[C@H]([N@H+](C)CCCC[NH+](C)[C@@H]2CC[C@H](C)C2)C1 ZINC000549919993 334208520 /nfs/dbraw/zinc/20/85/20/334208520.db2.gz MQCZCGFPBYSLON-FZDBZEDMSA-N 2 1 280.500 4.007 20 0 CIADMP CC(C)C(C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000551804551 334262171 /nfs/dbraw/zinc/26/21/71/334262171.db2.gz ACOLOHZAZQFNGW-IRXDYDNUSA-N 2 1 294.527 4.157 20 0 CIADMP CC(C)C(C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000551804549 334262317 /nfs/dbraw/zinc/26/23/17/334262317.db2.gz ACOLOHZAZQFNGW-DLBZAZTESA-N 2 1 294.527 4.157 20 0 CIADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000247920192 334291490 /nfs/dbraw/zinc/29/14/90/334291490.db2.gz BAZRQCIOOSVGPC-VBQJREDUSA-N 2 1 294.870 4.109 20 0 CIADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1Cl ZINC000247920192 334291491 /nfs/dbraw/zinc/29/14/91/334291491.db2.gz BAZRQCIOOSVGPC-VBQJREDUSA-N 2 1 294.870 4.109 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000247956224 334291974 /nfs/dbraw/zinc/29/19/74/334291974.db2.gz FOOMRONFEGNYTL-YESZJQIVSA-N 2 1 288.479 4.236 20 0 CIADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)C ZINC000247965451 334292337 /nfs/dbraw/zinc/29/23/37/334292337.db2.gz GTCLEDFTQFMHFT-HLLBOEOZSA-N 2 1 294.508 4.155 20 0 CIADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000247965451 334292339 /nfs/dbraw/zinc/29/23/39/334292339.db2.gz GTCLEDFTQFMHFT-HLLBOEOZSA-N 2 1 294.508 4.155 20 0 CIADMP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000552223373 334305247 /nfs/dbraw/zinc/30/52/47/334305247.db2.gz SBVJXLUSKBIKEJ-RTBURBONSA-N 2 1 288.479 4.051 20 0 CIADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccs1 ZINC000090585215 334364009 /nfs/dbraw/zinc/36/40/09/334364009.db2.gz CSEDRMSEVWGWDZ-HZPDHXFCSA-N 2 1 294.508 4.157 20 0 CIADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](CC(C)(C)C)c2ccccc2)C1 ZINC000252438358 334380139 /nfs/dbraw/zinc/38/01/39/334380139.db2.gz AHGLZHDQJWTWQL-FUHWJXTLSA-N 2 1 288.479 4.095 20 0 CIADMP C[N@@H+]1CC=C(C[NH2+][C@@H](CC(C)(C)C)c2ccccc2)CC1 ZINC000344285643 335245831 /nfs/dbraw/zinc/24/58/31/335245831.db2.gz HNHMYICOJYQOEH-SFHVURJKSA-N 2 1 286.463 4.015 20 0 CIADMP Cc1ccncc1CCC[N@@H+](Cc1ccco1)C1CCCC1 ZINC000577247693 335329561 /nfs/dbraw/zinc/32/95/61/335329561.db2.gz PQRAEYSXPZAUQW-UHFFFAOYSA-N 2 1 298.430 4.360 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CC(C)C)c1ccccc1 ZINC000177370678 335370982 /nfs/dbraw/zinc/37/09/82/335370982.db2.gz RNQZEQZXFOZIQU-LJQANCHMSA-N 2 1 299.462 4.349 20 0 CIADMP CCC[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1cccnc1 ZINC000185626552 335954519 /nfs/dbraw/zinc/95/45/19/335954519.db2.gz KJNTWZTZFNFZHX-SFHVURJKSA-N 2 1 291.483 4.021 20 0 CIADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000157262229 525588980 /nfs/dbraw/zinc/58/89/80/525588980.db2.gz OUMIJFGDLNWFCK-MZPVMMEZSA-N 2 1 286.806 4.135 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C2CCC2)cc1 ZINC000166672842 227060812 /nfs/dbraw/zinc/06/08/12/227060812.db2.gz PNPKDFNZUSPZAO-ZIAGYGMSSA-N 2 1 283.419 4.020 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C2CCC2)cc1 ZINC000166672616 227060864 /nfs/dbraw/zinc/06/08/64/227060864.db2.gz PNPKDFNZUSPZAO-UONOGXRCSA-N 2 1 283.419 4.020 20 0 CIADMP Cc1ccc([C@H](C)N[C@@H](C)c2ccc(-n3ccnc3)cc2)o1 ZINC000192735715 227283344 /nfs/dbraw/zinc/28/33/44/227283344.db2.gz DJNTVYFZYYGZBR-GJZGRUSLSA-N 2 1 295.386 4.186 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC2(CCCC2)CC1 ZINC000352832323 227308859 /nfs/dbraw/zinc/30/88/59/227308859.db2.gz FXJKLFGAQJCIQX-UHFFFAOYSA-N 2 1 289.467 4.064 20 0 CIADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000091957363 260267108 /nfs/dbraw/zinc/26/71/08/260267108.db2.gz HKMKPKYZSACHAP-ZACQAIPSSA-N 2 1 292.854 4.008 20 0 CIADMP CC(C)CC(CC(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000088163830 260278755 /nfs/dbraw/zinc/27/87/55/260278755.db2.gz FPOPUVBXBAOSKR-AYHJJNSGSA-N 2 1 280.500 4.052 20 0 CIADMP CC(C)CC(CC(C)C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000088163830 260278757 /nfs/dbraw/zinc/27/87/57/260278757.db2.gz FPOPUVBXBAOSKR-AYHJJNSGSA-N 2 1 280.500 4.052 20 0 CIADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000518266391 260364136 /nfs/dbraw/zinc/36/41/36/260364136.db2.gz UYCHQDFOMIRTFN-MRXNPFEDSA-N 2 1 288.479 4.197 20 0 CIADMP CCC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390553169 262215092 /nfs/dbraw/zinc/21/50/92/262215092.db2.gz KRRHLPAYOVUVAH-WMZOPIPTSA-N 2 1 288.479 4.065 20 0 CIADMP CCC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390553169 262215094 /nfs/dbraw/zinc/21/50/94/262215094.db2.gz KRRHLPAYOVUVAH-WMZOPIPTSA-N 2 1 288.479 4.065 20 0 CIADMP Cc1cccc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000521244829 265109436 /nfs/dbraw/zinc/10/94/36/265109436.db2.gz QEDOYISQJYIWBE-KRWDZBQOSA-N 2 1 288.479 4.108 20 0 CIADMP Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000531691549 328024642 /nfs/dbraw/zinc/02/46/42/328024642.db2.gz FCCFLLQTCWQUTH-MSOLQXFVSA-N 2 1 288.479 4.300 20 0 CIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC000303944170 328370929 /nfs/dbraw/zinc/37/09/29/328370929.db2.gz UEUMRYSRNMIHGJ-IEBWSBKVSA-N 2 1 292.511 4.153 20 0 CIADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2CCCC2)C1 ZINC000303944170 328370930 /nfs/dbraw/zinc/37/09/30/328370930.db2.gz UEUMRYSRNMIHGJ-IEBWSBKVSA-N 2 1 292.511 4.153 20 0 CIADMP Cc1ccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)cc1C ZINC000520950066 327191513 /nfs/dbraw/zinc/19/15/13/327191513.db2.gz FPWSUFSABHNUKS-SFHVURJKSA-N 2 1 288.479 4.048 20 0 CIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000559751806 327259716 /nfs/dbraw/zinc/25/97/16/327259716.db2.gz BUUOVJIWUHTCLX-ZWKOTPCHSA-N 2 1 292.511 4.199 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC=C(C)CC2)cc1 ZINC000559921866 327271963 /nfs/dbraw/zinc/27/19/63/327271963.db2.gz MVUVYPZYHPCRFU-YJBOKZPZSA-N 2 1 295.430 4.330 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C2CC3(CCC3)C2)cc1 ZINC000448073008 327417955 /nfs/dbraw/zinc/41/79/55/327417955.db2.gz XJUAWLQEFHYXLS-CQSZACIVSA-N 2 1 295.430 4.164 20 0 CIADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379621058 330143222 /nfs/dbraw/zinc/14/32/22/330143222.db2.gz DWDWWJARBLYPIH-WDSOQIARSA-N 2 1 288.479 4.208 20 0 CIADMP CCC[C@H](CC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379621058 330143224 /nfs/dbraw/zinc/14/32/24/330143224.db2.gz DWDWWJARBLYPIH-WDSOQIARSA-N 2 1 288.479 4.208 20 0 CIADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422882167 330158781 /nfs/dbraw/zinc/15/87/81/330158781.db2.gz AJIDNVXRERIBMN-KYNGSXCRSA-N 2 1 280.415 4.099 20 0 CIADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000422993981 330163174 /nfs/dbraw/zinc/16/31/74/330163174.db2.gz UMGDRHGBACUPGW-FHWLQOOXSA-N 2 1 292.426 4.143 20 0 CIADMP CC(C)c1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423052868 330167303 /nfs/dbraw/zinc/16/73/03/330167303.db2.gz QSAAQTNHQNNJGN-MOPGFXCFSA-N 2 1 280.415 4.044 20 0 CIADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000423442239 330201833 /nfs/dbraw/zinc/20/18/33/330201833.db2.gz JSBVVOBVMXPUJC-RDBSUJKOSA-N 2 1 292.492 4.108 20 0 CIADMP CC[C@@H](C)c1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000527876477 330291203 /nfs/dbraw/zinc/29/12/03/330291203.db2.gz OTBIHGFERHBCAE-HZPDHXFCSA-N 2 1 286.463 4.113 20 0 CIADMP CC[C@@H](C)c1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000527876475 330291264 /nfs/dbraw/zinc/29/12/64/330291264.db2.gz OTBIHGFERHBCAE-CVEARBPZSA-N 2 1 286.463 4.113 20 0 CIADMP CC[C@H](C)c1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000527901236 330293485 /nfs/dbraw/zinc/29/34/85/330293485.db2.gz OVOORXHVTICEOM-JJRVBVJISA-N 2 1 297.446 4.131 20 0 CIADMP CCC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(Cl)cc1 ZINC000044534215 330329865 /nfs/dbraw/zinc/32/98/65/330329865.db2.gz CKEZPZSIECDXFF-WMLDXEAASA-N 2 1 294.870 4.113 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000106868871 330341493 /nfs/dbraw/zinc/34/14/93/330341493.db2.gz VAMGYFCPEQSFED-ZGUYJTEBSA-N 2 1 292.511 4.198 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1C)C1CC1 ZINC000091346697 330400467 /nfs/dbraw/zinc/40/04/67/330400467.db2.gz AGIXMWXTKHLSAT-LJQANCHMSA-N 2 1 297.446 4.021 20 0 CIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2F)CC1 ZINC000449344593 330916607 /nfs/dbraw/zinc/91/66/07/330916607.db2.gz RTYUVXKCEFREHT-JKSUJKDBSA-N 2 1 298.490 4.146 20 0 CIADMP CCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453076383 331086980 /nfs/dbraw/zinc/08/69/80/331086980.db2.gz HQFHKHOORXHNFT-CZUORRHYSA-N 2 1 292.492 4.151 20 0 CIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453143497 331093763 /nfs/dbraw/zinc/09/37/63/331093763.db2.gz FSUTWOPZPIXGNP-XJKSGUPXSA-N 2 1 292.492 4.149 20 0 CIADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453388638 331126997 /nfs/dbraw/zinc/12/69/97/331126997.db2.gz BUMAULMLNYDLHA-YJBOKZPZSA-N 2 1 286.463 4.007 20 0 CIADMP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2sccc21 ZINC000453417593 331130412 /nfs/dbraw/zinc/13/04/12/331130412.db2.gz XVJRZDZFGZZRJO-CJNGLKHVSA-N 2 1 292.492 4.151 20 0 CIADMP CC(C)c1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000459474143 331283607 /nfs/dbraw/zinc/28/36/07/331283607.db2.gz POBADSMJOVWSMQ-LJQANCHMSA-N 2 1 299.462 4.073 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459783170 331300712 /nfs/dbraw/zinc/30/07/12/331300712.db2.gz ZJOFBQXDVVEFDF-OLQIXAPSSA-N 2 1 295.430 4.020 20 0 CIADMP CCC1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000462686946 331325304 /nfs/dbraw/zinc/32/53/04/331325304.db2.gz RFGJWBPQYSLZLS-AOCRQIFASA-N 2 1 280.500 4.199 20 0 CIADMP CCC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000462688505 331325307 /nfs/dbraw/zinc/32/53/07/331325307.db2.gz UGVBOKKNEAIHHH-WWDZGPRUSA-N 2 1 280.500 4.057 20 0 CIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000462750138 331327488 /nfs/dbraw/zinc/32/74/88/331327488.db2.gz WVEIMLQZDYSNKA-AOCRQIFASA-N 2 1 294.527 4.301 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccccc1C(C)(C)C ZINC000510978752 332922735 /nfs/dbraw/zinc/92/27/35/332922735.db2.gz NIQSWQAUOAIMCM-HNNXBMFYSA-N 2 1 299.462 4.230 20 0 CIADMP CCCC[C@@H](CC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309677264 333046902 /nfs/dbraw/zinc/04/69/02/333046902.db2.gz XNFIPYWMJKAFFR-RBUKOAKNSA-N 2 1 288.479 4.067 20 0 CIADMP CCCC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309711118 333047866 /nfs/dbraw/zinc/04/78/66/333047866.db2.gz KAGFGLDIZNNGCY-SCTDSRPQSA-N 2 1 288.479 4.065 20 0 CIADMP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000517187564 333094150 /nfs/dbraw/zinc/09/41/50/333094150.db2.gz OGRZZZVNDFRYNV-QZTJIDSGSA-N 2 1 288.479 4.094 20 0 CIADMP CC(C)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000517187564 333094151 /nfs/dbraw/zinc/09/41/51/333094151.db2.gz OGRZZZVNDFRYNV-QZTJIDSGSA-N 2 1 288.479 4.094 20 0 CIADMP Cc1c2ccccc2oc1[C@H](C)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000188942677 333176582 /nfs/dbraw/zinc/17/65/82/333176582.db2.gz KZSGXSRBEZZPPH-HRCADAONSA-N 2 1 298.430 4.019 20 0 CIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000188942677 333176583 /nfs/dbraw/zinc/17/65/83/333176583.db2.gz KZSGXSRBEZZPPH-HRCADAONSA-N 2 1 298.430 4.019 20 0 CIADMP Cc1c2ccccc2oc1[C@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000188942677 333176584 /nfs/dbraw/zinc/17/65/84/333176584.db2.gz KZSGXSRBEZZPPH-HRCADAONSA-N 2 1 298.430 4.019 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1csc(Cl)c1 ZINC000191307734 333218149 /nfs/dbraw/zinc/21/81/49/333218149.db2.gz NKQMUGLMYKQZSY-LLVKDONJSA-N 2 1 297.855 4.037 20 0 CIADMP CCC[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000227537689 333285298 /nfs/dbraw/zinc/28/52/98/333285298.db2.gz IIBVPKHPQCYXIG-QYZOEREBSA-N 2 1 280.415 4.262 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCC(C)C)C(C)(C)C ZINC000539490563 333673199 /nfs/dbraw/zinc/67/31/99/333673199.db2.gz FMECDQNCVVHOKK-KRWDZBQOSA-N 2 1 293.499 4.412 20 0 CIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc(C)c(C)cc1C ZINC000540168391 333716960 /nfs/dbraw/zinc/71/69/60/333716960.db2.gz HAHMEKJKSVLHPU-SUMWQHHRSA-N 2 1 299.462 4.104 20 0 CIADMP CCC(CC)[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000546606804 334039920 /nfs/dbraw/zinc/03/99/20/334039920.db2.gz GYNZIQBMLJCAOW-SJLPKXTDSA-N 2 1 288.479 4.065 20 0 CIADMP CC(C)=CCC[C@H](C)CC[N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000564322789 334094771 /nfs/dbraw/zinc/09/47/71/334094771.db2.gz AXBZOQOGUXGWSA-BZSNNMDCSA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C ZINC000564322789 334094773 /nfs/dbraw/zinc/09/47/73/334094773.db2.gz AXBZOQOGUXGWSA-BZSNNMDCSA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000564322789 334094774 /nfs/dbraw/zinc/09/47/74/334094774.db2.gz AXBZOQOGUXGWSA-BZSNNMDCSA-N 2 1 280.500 4.031 20 0 CIADMP CC(C)=CCC[C@H](C)CC[NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000564322789 334094776 /nfs/dbraw/zinc/09/47/76/334094776.db2.gz AXBZOQOGUXGWSA-BZSNNMDCSA-N 2 1 280.500 4.031 20 0 CIADMP Cc1cccc([C@H](C)[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000245439224 334193617 /nfs/dbraw/zinc/19/36/17/334193617.db2.gz FRXYIHIJIVQIOT-PKOBYXMFSA-N 2 1 286.463 4.006 20 0 CIADMP C[N@@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)C[C@H]1c1ccccc1 ZINC000550703792 334227440 /nfs/dbraw/zinc/22/74/40/334227440.db2.gz NGDHQVPLTDONTE-ROUUACIJSA-N 2 1 288.479 4.238 20 0 CIADMP C[N@H+]1CC[C@H]([NH2+]CCCC(C)(C)C)C[C@H]1c1ccccc1 ZINC000550703792 334227441 /nfs/dbraw/zinc/22/74/41/334227441.db2.gz NGDHQVPLTDONTE-ROUUACIJSA-N 2 1 288.479 4.238 20 0 CIADMP C[N@@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000550703791 334227527 /nfs/dbraw/zinc/22/75/27/334227527.db2.gz NGDHQVPLTDONTE-QZTJIDSGSA-N 2 1 288.479 4.238 20 0 CIADMP C[N@H+]1CC[C@@H]([NH2+]CCCC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000550703791 334227528 /nfs/dbraw/zinc/22/75/28/334227528.db2.gz NGDHQVPLTDONTE-QZTJIDSGSA-N 2 1 288.479 4.238 20 0 CIADMP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000250694614 334348643 /nfs/dbraw/zinc/34/86/43/334348643.db2.gz LHEBBKYPPVSZTL-BRWVUGGUSA-N 2 1 292.511 4.055 20 0 CIADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000252414968 334379185 /nfs/dbraw/zinc/37/91/85/334379185.db2.gz QXKBYOJOIQTDHW-IUVQAAGXSA-N 2 1 288.479 4.189 20 0 CIADMP CC[C@@H]1C[C@@H](C)C[NH+]1CCCC[N@@H+]1C[C@@H](C)C[C@H]1CC ZINC000580684824 335322102 /nfs/dbraw/zinc/32/21/02/335322102.db2.gz XXOFGPNONYKXSE-XMTFNYHQSA-N 2 1 280.500 4.007 20 0 CIADMP CC[C@@H]1C[C@H](C)C[NH+]1CCCC[N@@H+]1C[C@H](C)C[C@H]1CC ZINC000580684824 335322104 /nfs/dbraw/zinc/32/21/04/335322104.db2.gz XXOFGPNONYKXSE-XMTFNYHQSA-N 2 1 280.500 4.007 20 0 CIADMP CC[C@@H]1C[C@H](C)C[NH+]1CCCC[N@H+]1C[C@H](C)C[C@H]1CC ZINC000580684824 335322106 /nfs/dbraw/zinc/32/21/06/335322106.db2.gz XXOFGPNONYKXSE-XMTFNYHQSA-N 2 1 280.500 4.007 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C(C2CC2)C2CC2)cc1 ZINC000177777942 335402701 /nfs/dbraw/zinc/40/27/01/335402701.db2.gz ISCZEZFHGGLFGR-ZDUSSCGKSA-N 2 1 295.430 4.020 20 0 CIADMP CCC[N@@H+](CCCc1cncn1C)[C@H](CC)c1ccccc1 ZINC000581318243 336047763 /nfs/dbraw/zinc/04/77/63/336047763.db2.gz HPXMEFWZVSGBJT-LJQANCHMSA-N 2 1 299.462 4.216 20 0 CIADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@H](CC)c1ccccc1 ZINC000581318243 336047765 /nfs/dbraw/zinc/04/77/65/336047765.db2.gz HPXMEFWZVSGBJT-LJQANCHMSA-N 2 1 299.462 4.216 20 0 CIADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@H](CC)c1ccccc1 ZINC000581318243 336047766 /nfs/dbraw/zinc/04/77/66/336047766.db2.gz HPXMEFWZVSGBJT-LJQANCHMSA-N 2 1 299.462 4.216 20 0 CIADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000036979236 522564142 /nfs/dbraw/zinc/56/41/42/522564142.db2.gz AZIYFQGIBJSUIX-HMQMGEFJSA-N 2 1 292.854 4.006 20 0 CIADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(Cl)c1 ZINC000036921431 522811032 /nfs/dbraw/zinc/81/10/32/522811032.db2.gz UGKGXRQKNNAKBJ-NPYXIHBLSA-N 2 1 292.854 4.006 20 0 CIADMP CC[C@@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000130241106 522952286 /nfs/dbraw/zinc/95/22/86/522952286.db2.gz KVXTTYCNOPMROU-GVDBMIGSSA-N 2 1 292.854 4.008 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](CC)c1ccccc1 ZINC000191471551 528867768 /nfs/dbraw/zinc/86/77/68/528867768.db2.gz PYZDXOMLXIFMLJ-GOSISDBHSA-N 2 1 299.462 4.309 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](CC)c1ccccc1 ZINC000191471551 528867771 /nfs/dbraw/zinc/86/77/71/528867771.db2.gz PYZDXOMLXIFMLJ-GOSISDBHSA-N 2 1 299.462 4.309 20 0 CIADMP CC[C@H]([NH2+]C1CC([NH+]2CCCCC2)C1)c1cccc(C)c1 ZINC000353610290 529583106 /nfs/dbraw/zinc/58/31/06/529583106.db2.gz WDXPVQFRHCEHTI-ACBHZAAOSA-N 2 1 286.463 4.053 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC[C@H]2C(C)C)cc1 ZINC000573632575 334953963 /nfs/dbraw/zinc/95/39/63/334953963.db2.gz NWOBFCPBEWJGSS-ZOCIIQOWSA-N 2 1 297.446 4.266 20 0 CIADMP Cc1nccn1CCCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347598162 226212305 /nfs/dbraw/zinc/21/23/05/226212305.db2.gz KBYWEDFJLSALFY-WBVHZDCISA-N 2 1 291.483 4.118 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347598162 226212309 /nfs/dbraw/zinc/21/23/09/226212309.db2.gz KBYWEDFJLSALFY-WBVHZDCISA-N 2 1 291.483 4.118 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(C)(C)C)C[C@H]1C ZINC000347598162 226212314 /nfs/dbraw/zinc/21/23/14/226212314.db2.gz KBYWEDFJLSALFY-WBVHZDCISA-N 2 1 291.483 4.118 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C2CCC2)cc1 ZINC000166672726 227061839 /nfs/dbraw/zinc/06/18/39/227061839.db2.gz PNPKDFNZUSPZAO-KBPBESRZSA-N 2 1 283.419 4.020 20 0 CIADMP CC(C)C[NH+]1CCC([NH2+][C@H](C)c2cccc(Cl)c2)CC1 ZINC000221715405 262291550 /nfs/dbraw/zinc/29/15/50/262291550.db2.gz ARXDXKONMTWEKM-CQSZACIVSA-N 2 1 294.870 4.111 20 0 CIADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157328280 264320090 /nfs/dbraw/zinc/32/00/90/264320090.db2.gz LINGKBRMKNBPNQ-OCBCSQNSSA-N 2 1 298.455 4.204 20 0 CIADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1F ZINC000094837533 265263230 /nfs/dbraw/zinc/26/32/30/265263230.db2.gz NBIAXQURBUQYGO-CQSZACIVSA-N 2 1 292.442 4.048 20 0 CIADMP CCC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000531724756 328023578 /nfs/dbraw/zinc/02/35/78/328023578.db2.gz RBKSPJMYIYRPDX-GOSISDBHSA-N 2 1 291.483 4.310 20 0 CIADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+][C@H](C)c2ccc(Cl)cc2)C1 ZINC000531703049 328026300 /nfs/dbraw/zinc/02/63/00/328026300.db2.gz ARCAFWXPMRKQOM-CABCVRRESA-N 2 1 294.870 4.111 20 0 CIADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@@H](CC)c1ccccc1 ZINC000534956494 328373797 /nfs/dbraw/zinc/37/37/97/328373797.db2.gz NGGVXVJYBCTLTK-IBGZPJMESA-N 2 1 299.462 4.445 20 0 CIADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@@H](CC)c1ccccc1 ZINC000534956494 328373798 /nfs/dbraw/zinc/37/37/98/328373798.db2.gz NGGVXVJYBCTLTK-IBGZPJMESA-N 2 1 299.462 4.445 20 0 CIADMP CC(C)[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000262052943 327096964 /nfs/dbraw/zinc/09/69/64/327096964.db2.gz DANDNGKKQCJNLM-QRVBRYPASA-N 2 1 298.405 4.257 20 0 CIADMP C[C@@H]([N@@H+](C)CCCC[NH+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000558521996 327101303 /nfs/dbraw/zinc/10/13/03/327101303.db2.gz JLEOWQCMAMJQKR-IYBDPMFKSA-N 2 1 284.532 4.499 20 0 CIADMP C[C@@H]([NH+](C)CCCC[N@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000558521996 327101304 /nfs/dbraw/zinc/10/13/04/327101304.db2.gz JLEOWQCMAMJQKR-IYBDPMFKSA-N 2 1 284.532 4.499 20 0 CIADMP C[C@@H]([NH+](C)CCCC[N@@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000558521996 327101306 /nfs/dbraw/zinc/10/13/06/327101306.db2.gz JLEOWQCMAMJQKR-IYBDPMFKSA-N 2 1 284.532 4.499 20 0 CIADMP CCC(CC)C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000409444743 327161739 /nfs/dbraw/zinc/16/17/39/327161739.db2.gz MYQDLEQBJYYMIZ-UHFFFAOYSA-N 2 1 288.479 4.019 20 0 CIADMP CCC(CC)C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000409444743 327161741 /nfs/dbraw/zinc/16/17/41/327161741.db2.gz MYQDLEQBJYYMIZ-UHFFFAOYSA-N 2 1 288.479 4.019 20 0 CIADMP CC(C)CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)c1ccoc1 ZINC000428450104 327374737 /nfs/dbraw/zinc/37/47/37/327374737.db2.gz WBJKKFODOLQQGA-GOSISDBHSA-N 2 1 292.467 4.219 20 0 CIADMP CCC[N@@H+](Cc1cncn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000177020959 329178046 /nfs/dbraw/zinc/17/80/46/329178046.db2.gz YKDAMMYRSBMTAN-AWEZNQCLSA-N 2 1 297.402 4.140 20 0 CIADMP CCCN(Cc1cncn1C)[C@@H](C)c1cc2ccccc2o1 ZINC000177020959 329178048 /nfs/dbraw/zinc/17/80/48/329178048.db2.gz YKDAMMYRSBMTAN-AWEZNQCLSA-N 2 1 297.402 4.140 20 0 CIADMP CCC[N@@H+](Cc1cncn1C)[C@H](C)c1cc2ccccc2o1 ZINC000177020978 329178094 /nfs/dbraw/zinc/17/80/94/329178094.db2.gz YKDAMMYRSBMTAN-CQSZACIVSA-N 2 1 297.402 4.140 20 0 CIADMP CCCN(Cc1cncn1C)[C@H](C)c1cc2ccccc2o1 ZINC000177020978 329178096 /nfs/dbraw/zinc/17/80/96/329178096.db2.gz YKDAMMYRSBMTAN-CQSZACIVSA-N 2 1 297.402 4.140 20 0 CIADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCC2)CC1)c1ccsc1 ZINC000178160059 329197050 /nfs/dbraw/zinc/19/70/50/329197050.db2.gz IDCYLFFRLWJOBT-AWEZNQCLSA-N 2 1 292.492 4.053 20 0 CIADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379621059 330143187 /nfs/dbraw/zinc/14/31/87/330143187.db2.gz DWDWWJARBLYPIH-YTQUADARSA-N 2 1 288.479 4.208 20 0 CIADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379621059 330143188 /nfs/dbraw/zinc/14/31/88/330143188.db2.gz DWDWWJARBLYPIH-YTQUADARSA-N 2 1 288.479 4.208 20 0 CIADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379621057 330143218 /nfs/dbraw/zinc/14/32/18/330143218.db2.gz DWDWWJARBLYPIH-NZSAHSFTSA-N 2 1 288.479 4.208 20 0 CIADMP CCC[C@H](CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379621057 330143219 /nfs/dbraw/zinc/14/32/19/330143219.db2.gz DWDWWJARBLYPIH-NZSAHSFTSA-N 2 1 288.479 4.208 20 0 CIADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379628656 330144653 /nfs/dbraw/zinc/14/46/53/330144653.db2.gz NUWVCVGAQRIZJK-WMZOPIPTSA-N 2 1 288.479 4.065 20 0 CIADMP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379628656 330144654 /nfs/dbraw/zinc/14/46/54/330144654.db2.gz NUWVCVGAQRIZJK-WMZOPIPTSA-N 2 1 288.479 4.065 20 0 CIADMP CC(C)(C)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422778663 330154484 /nfs/dbraw/zinc/15/44/84/330154484.db2.gz HUXZDHMAUHNUFR-MOPGFXCFSA-N 2 1 294.442 4.219 20 0 CIADMP Cc1cc(C)cc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422882166 330159037 /nfs/dbraw/zinc/15/90/37/330159037.db2.gz AJIDNVXRERIBMN-JVPBZIDWSA-N 2 1 280.415 4.099 20 0 CIADMP CC1(C)C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000422993983 330163190 /nfs/dbraw/zinc/16/31/90/330163190.db2.gz UMGDRHGBACUPGW-QRVBRYPASA-N 2 1 292.426 4.143 20 0 CIADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423036058 330166491 /nfs/dbraw/zinc/16/64/91/330166491.db2.gz KQVYPEUAJPOKCA-QGTPRVQTSA-N 2 1 280.415 4.099 20 0 CIADMP CC(C)c1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423052871 330167289 /nfs/dbraw/zinc/16/72/89/330167289.db2.gz QSAAQTNHQNNJGN-RTBURBONSA-N 2 1 280.415 4.044 20 0 CIADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)CCC2 ZINC000423133716 330172132 /nfs/dbraw/zinc/17/21/32/330172132.db2.gz VZPDIVZEAQKTOA-UFYCRDLUSA-N 2 1 292.426 4.107 20 0 CIADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000423361951 330193913 /nfs/dbraw/zinc/19/39/13/330193913.db2.gz HFPIJEMDXSEUJB-QWRGUYRKSA-N 2 1 294.851 4.066 20 0 CIADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cc2cc(Cl)ccc2o1 ZINC000424375426 330348427 /nfs/dbraw/zinc/34/84/27/330348427.db2.gz NCMPFVMARYEIOC-ZLKJLUDKSA-N 2 1 292.810 4.007 20 0 CIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@H](C)c3ccsc32)C1 ZINC000453097111 331088806 /nfs/dbraw/zinc/08/88/06/331088806.db2.gz OMZNYFKFYYWIJV-SQWLQELKSA-N 2 1 292.492 4.008 20 0 CIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CC[C@@H](C)c3ccsc32)C1 ZINC000453097109 331088847 /nfs/dbraw/zinc/08/88/47/331088847.db2.gz OMZNYFKFYYWIJV-IIAWOOMASA-N 2 1 292.492 4.008 20 0 CIADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)c1ccsc1 ZINC000453146647 331094182 /nfs/dbraw/zinc/09/41/82/331094182.db2.gz XOEIBIZYJZVIAU-KRWDZBQOSA-N 2 1 292.492 4.196 20 0 CIADMP CC(C)[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000453375634 331124828 /nfs/dbraw/zinc/12/48/28/331124828.db2.gz XYVTXAJVYATIPA-JXKHTJAUSA-N 2 1 298.474 4.086 20 0 CIADMP C[C@@H]([NH2+]C1CC(C(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459468475 331283204 /nfs/dbraw/zinc/28/32/04/331283204.db2.gz QTAVZFCWFZLAPX-XNIRIUNOSA-N 2 1 292.511 4.054 20 0 CIADMP CC(C)c1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C(C)C)cc1 ZINC000459474135 331283609 /nfs/dbraw/zinc/28/36/09/331283609.db2.gz POBADSMJOVWSMQ-IBGZPJMESA-N 2 1 299.462 4.073 20 0 CIADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000459483527 331284199 /nfs/dbraw/zinc/28/41/99/331284199.db2.gz BZXKTRXYLPTZHW-FQEVSTJZSA-N 2 1 298.474 4.014 20 0 CIADMP CC[C@H](C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000462118283 331317717 /nfs/dbraw/zinc/31/77/17/331317717.db2.gz DQOLOXWSZNCQLM-SUMWQHHRSA-N 2 1 294.870 4.111 20 0 CIADMP CCC1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000462686948 331325233 /nfs/dbraw/zinc/32/52/33/331325233.db2.gz RFGJWBPQYSLZLS-WWDZGPRUSA-N 2 1 280.500 4.199 20 0 CIADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC000464868296 331372097 /nfs/dbraw/zinc/37/20/97/331372097.db2.gz KZFVEZFPKPLMNZ-IRXDYDNUSA-N 2 1 280.500 4.007 20 0 CIADMP CCCCc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000511020382 332924604 /nfs/dbraw/zinc/92/46/04/332924604.db2.gz XPLPPBZKHCVHML-MRXNPFEDSA-N 2 1 299.462 4.275 20 0 CIADMP CC[C@H](C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000088296856 333087953 /nfs/dbraw/zinc/08/79/53/333087953.db2.gz DYLKYSZIYHBRJE-DLBZAZTESA-N 2 1 288.479 4.065 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1csc(Cl)c1 ZINC000191307717 333218011 /nfs/dbraw/zinc/21/80/11/333218011.db2.gz NKQMUGLMYKQZSY-NSHDSACASA-N 2 1 297.855 4.037 20 0 CIADMP Cc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c(C)s1 ZINC000227538046 333285241 /nfs/dbraw/zinc/28/52/41/333285241.db2.gz XXTYCXMISNZFMU-YMRXKLBXSA-N 2 1 286.444 4.160 20 0 CIADMP CSc1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000227537269 333285338 /nfs/dbraw/zinc/28/53/38/333285338.db2.gz LINGKBRMKNBPNQ-JBBXEZCESA-N 2 1 298.455 4.204 20 0 CIADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3ccccc3c2)C1 ZINC000524766307 333387388 /nfs/dbraw/zinc/38/73/88/333387388.db2.gz UNNUYMYOHPKDOS-GOSISDBHSA-N 2 1 296.458 4.004 20 0 CIADMP [NH3+][C@H]1C[C@@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)c2ccccc21 ZINC000530225474 333529010 /nfs/dbraw/zinc/52/90/10/333529010.db2.gz ZYOHUHFPBAJCSG-RCCFBDPRSA-N 2 1 298.817 4.062 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCCC[C@H]1C(C)(C)C ZINC000539067608 333654591 /nfs/dbraw/zinc/65/45/91/333654591.db2.gz XVCBTZINRGHFHG-DJIMGWMZSA-N 2 1 291.483 4.022 20 0 CIADMP C[C@@H]1CC[C@H]([NH+](C)CCCC[N@H+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000549919987 334208523 /nfs/dbraw/zinc/20/85/23/334208523.db2.gz MQCZCGFPBYSLON-BDXSIMOUSA-N 2 1 280.500 4.007 20 0 CIADMP CCCC[N@H+](CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000550158006 334214630 /nfs/dbraw/zinc/21/46/30/334214630.db2.gz LISGPUOJFUQTMH-UHFFFAOYSA-N 2 1 291.483 4.407 20 0 CIADMP CCCC[N@@H+](CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000550158006 334214631 /nfs/dbraw/zinc/21/46/31/334214631.db2.gz LISGPUOJFUQTMH-UHFFFAOYSA-N 2 1 291.483 4.407 20 0 CIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000550622346 334225432 /nfs/dbraw/zinc/22/54/32/334225432.db2.gz TZPCEHYNHPVHQI-QZTJIDSGSA-N 2 1 292.511 4.344 20 0 CIADMP CC[C@@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247218094 334277674 /nfs/dbraw/zinc/27/76/74/334277674.db2.gz XMYGYLLNNASREV-MOPGFXCFSA-N 2 1 286.463 4.088 20 0 CIADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000552245095 334307648 /nfs/dbraw/zinc/30/76/48/334307648.db2.gz QSTXOTYWNCXCPJ-JTDSTZFVSA-N 2 1 288.479 4.018 20 0 CIADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000552245095 334307650 /nfs/dbraw/zinc/30/76/50/334307650.db2.gz QSTXOTYWNCXCPJ-JTDSTZFVSA-N 2 1 288.479 4.018 20 0 CIADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000251077592 334356028 /nfs/dbraw/zinc/35/60/28/334356028.db2.gz KVXTTYCNOPMROU-ULQDDVLXSA-N 2 1 292.854 4.008 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)CC[N@@H+]1C ZINC000252193172 334376238 /nfs/dbraw/zinc/37/62/38/334376238.db2.gz VFCDTEQIQOYKNR-OWYHZJEWSA-N 2 1 292.511 4.198 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)CC[N@H+]1C ZINC000252193172 334376239 /nfs/dbraw/zinc/37/62/39/334376239.db2.gz VFCDTEQIQOYKNR-OWYHZJEWSA-N 2 1 292.511 4.198 20 0 CIADMP CCCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000252646882 334383812 /nfs/dbraw/zinc/38/38/12/334383812.db2.gz SPZINARMOKAGKM-QYZOEREBSA-N 2 1 286.463 4.134 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252674874 334385197 /nfs/dbraw/zinc/38/51/97/334385197.db2.gz VAMGYFCPEQSFED-FOIPXRHGSA-N 2 1 292.511 4.198 20 0 CIADMP CC1=CC[C@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000567338475 334705273 /nfs/dbraw/zinc/70/52/73/334705273.db2.gz NVEPUJDHKCNKFS-HKUYNNGSSA-N 2 1 298.474 4.300 20 0 CIADMP CCC[C@H](C)C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000577424253 335351266 /nfs/dbraw/zinc/35/12/66/335351266.db2.gz GAIUQJPOAVBQLD-KRWDZBQOSA-N 2 1 288.479 4.019 20 0 CIADMP CCC[C@H](C)C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000577424253 335351267 /nfs/dbraw/zinc/35/12/67/335351267.db2.gz GAIUQJPOAVBQLD-KRWDZBQOSA-N 2 1 288.479 4.019 20 0 CIADMP Cc1cccc(NC2CC[NH+]([C@H](C)c3ccccc3)CC2)[nH+]1 ZINC000118847385 524671668 /nfs/dbraw/zinc/67/16/68/524671668.db2.gz SCQJYLJYAMLTQT-MRXNPFEDSA-N 2 1 295.430 4.028 20 0 CIADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000157262517 525637056 /nfs/dbraw/zinc/63/70/56/525637056.db2.gz OUMIJFGDLNWFCK-GOPGUHFVSA-N 2 1 286.806 4.135 20 0 CIADMP C[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157480027 525694879 /nfs/dbraw/zinc/69/48/79/525694879.db2.gz OODRMDVRLLLMKO-LQAWEQHXSA-N 2 1 286.806 4.135 20 0 CIADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000020190032 171056480 /nfs/dbraw/zinc/05/64/80/171056480.db2.gz KZFDGVCDVGMGAS-LBPRGKRZSA-N 2 1 298.833 4.004 20 0 CIADMP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1Cl ZINC000021793679 171324799 /nfs/dbraw/zinc/32/47/99/171324799.db2.gz DOYHMBJZQZOQAD-LBPRGKRZSA-N 2 1 294.870 4.300 20 0 CIADMP CCCCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000078774882 177385523 /nfs/dbraw/zinc/38/55/23/177385523.db2.gz HSMWBKIXUZSIMZ-UHFFFAOYSA-N 2 1 288.479 4.021 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)CCC2CC2)cc1 ZINC000348189927 226426828 /nfs/dbraw/zinc/42/68/28/226426828.db2.gz YVQGZDAAXWRTLA-LSDHHAIUSA-N 2 1 297.446 4.410 20 0 CIADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000352802908 227239546 /nfs/dbraw/zinc/23/95/46/227239546.db2.gz XAECITCVXBMNJA-LPHOPBHVSA-N 2 1 297.446 4.055 20 0 CIADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)CC[C@H]1c1ccccc1 ZINC000352802908 227239553 /nfs/dbraw/zinc/23/95/53/227239553.db2.gz XAECITCVXBMNJA-LPHOPBHVSA-N 2 1 297.446 4.055 20 0 CIADMP Cc1ccc([C@@H](C)N[C@@H](C)c2ccc(-n3ccnc3)cc2)o1 ZINC000192735697 227282494 /nfs/dbraw/zinc/28/24/94/227282494.db2.gz DJNTVYFZYYGZBR-LSDHHAIUSA-N 2 1 295.386 4.186 20 0 CIADMP C[NH+](C)CCC[NH2+][C@@H](c1cc2ccccc2o1)C(C)(C)C ZINC000497514968 262171709 /nfs/dbraw/zinc/17/17/09/262171709.db2.gz BOEPKKQUIPDMTH-KRWDZBQOSA-N 2 1 288.435 4.061 20 0 CIADMP CC(C)C[NH+]1CCC([NH2+][C@@H](C)c2cccc(Cl)c2)CC1 ZINC000221715351 262291564 /nfs/dbraw/zinc/29/15/64/262291564.db2.gz ARXDXKONMTWEKM-AWEZNQCLSA-N 2 1 294.870 4.111 20 0 CIADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1cccs1 ZINC000021511646 262389711 /nfs/dbraw/zinc/38/97/11/262389711.db2.gz BPURHOFCJHXMOS-LSDHHAIUSA-N 2 1 280.481 4.053 20 0 CIADMP C[C@H]1CC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)c2ccccc21 ZINC000359069337 266530329 /nfs/dbraw/zinc/53/03/29/266530329.db2.gz MPRHXYDMWKKLDP-QVUWHDNHSA-N 2 1 298.474 4.232 20 0 CIADMP CC(C)[NH+](CCC[NH2+][C@@H]1CCCc2sccc21)C(C)C ZINC000361805453 266887149 /nfs/dbraw/zinc/88/71/49/266887149.db2.gz UJQXUFJGGLHWGH-MRXNPFEDSA-N 2 1 294.508 4.224 20 0 CIADMP CCC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000531724757 328023503 /nfs/dbraw/zinc/02/35/03/328023503.db2.gz RBKSPJMYIYRPDX-SFHVURJKSA-N 2 1 291.483 4.310 20 0 CIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H](C)c2ccc(Cl)cc2)C1 ZINC000531703067 328026235 /nfs/dbraw/zinc/02/62/35/328026235.db2.gz ARCAFWXPMRKQOM-LSDHHAIUSA-N 2 1 294.870 4.111 20 0 CIADMP CCC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)c1ccsc1 ZINC000187699214 328300940 /nfs/dbraw/zinc/30/09/40/328300940.db2.gz PKQZYJCKIJBEJY-CZUORRHYSA-N 2 1 291.464 4.020 20 0 CIADMP CCCCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303745901 328358062 /nfs/dbraw/zinc/35/80/62/328358062.db2.gz JYBWOAGWYCIYKD-IEBWSBKVSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303745901 328358063 /nfs/dbraw/zinc/35/80/63/328358063.db2.gz JYBWOAGWYCIYKD-IEBWSBKVSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303745901 328358064 /nfs/dbraw/zinc/35/80/64/328358064.db2.gz JYBWOAGWYCIYKD-IEBWSBKVSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303745901 328358065 /nfs/dbraw/zinc/35/80/65/328358065.db2.gz JYBWOAGWYCIYKD-IEBWSBKVSA-N 2 1 288.479 4.162 20 0 CIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CC=C(C)CC2)CC1 ZINC000560469803 327311805 /nfs/dbraw/zinc/31/18/05/327311805.db2.gz NZXGXPATQUIKIY-IBGZPJMESA-N 2 1 298.474 4.048 20 0 CIADMP C[C@H](CC1CCCCC1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000583051669 329303654 /nfs/dbraw/zinc/30/36/54/329303654.db2.gz ASCVVWNZZJDICI-YJJAZYOBSA-N 2 1 292.511 4.150 20 0 CIADMP C[C@H](CC1CCCCC1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000583051669 329303655 /nfs/dbraw/zinc/30/36/55/329303655.db2.gz ASCVVWNZZJDICI-YJJAZYOBSA-N 2 1 292.511 4.150 20 0 CIADMP C[C@H](CC1CCCCC1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000583051669 329303656 /nfs/dbraw/zinc/30/36/56/329303656.db2.gz ASCVVWNZZJDICI-YJJAZYOBSA-N 2 1 292.511 4.150 20 0 CIADMP C[C@@H](CC1CCCCC1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000583051668 329303826 /nfs/dbraw/zinc/30/38/26/329303826.db2.gz ASCVVWNZZJDICI-UBLGTCEWSA-N 2 1 292.511 4.150 20 0 CIADMP C[C@@H](CC1CCCCC1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000583051668 329303828 /nfs/dbraw/zinc/30/38/28/329303828.db2.gz ASCVVWNZZJDICI-UBLGTCEWSA-N 2 1 292.511 4.150 20 0 CIADMP C[C@@H](CC1CCCCC1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000583051668 329303829 /nfs/dbraw/zinc/30/38/29/329303829.db2.gz ASCVVWNZZJDICI-UBLGTCEWSA-N 2 1 292.511 4.150 20 0 CIADMP Cc1ccccc1[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000422715529 330151733 /nfs/dbraw/zinc/15/17/33/330151733.db2.gz SHFPPJZZXNOBBB-XUVXKRRUSA-N 2 1 292.426 4.181 20 0 CIADMP CC1(C)C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c2ccccc21 ZINC000422993984 330163267 /nfs/dbraw/zinc/16/32/67/330163267.db2.gz UMGDRHGBACUPGW-QYZOEREBSA-N 2 1 292.426 4.143 20 0 CIADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000423036059 330166611 /nfs/dbraw/zinc/16/66/11/330166611.db2.gz KQVYPEUAJPOKCA-WBAXXEDZSA-N 2 1 280.415 4.099 20 0 CIADMP CCSc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423130196 330171676 /nfs/dbraw/zinc/17/16/76/330171676.db2.gz MVIZKWOAPPIDLU-ZWKOTPCHSA-N 2 1 298.455 4.033 20 0 CIADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c3ccccc31)CCC2 ZINC000423133715 330172209 /nfs/dbraw/zinc/17/22/09/330172209.db2.gz VZPDIVZEAQKTOA-SLFFLAALSA-N 2 1 292.426 4.107 20 0 CIADMP CC[C@@H](C)c1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000527856744 330288950 /nfs/dbraw/zinc/28/89/50/330288950.db2.gz WNWKBEYQZBFCMB-CABCVRRESA-N 2 1 285.435 4.056 20 0 CIADMP CCC(C)(C)C1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000036918354 330313616 /nfs/dbraw/zinc/31/36/16/330313616.db2.gz GVHKNYGLJYQJHD-CSRJKQTDSA-N 2 1 292.511 4.196 20 0 CIADMP CCC(CC)[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000537050083 330394892 /nfs/dbraw/zinc/39/48/92/330394892.db2.gz BMHRAEHIXXRVKA-IBGZPJMESA-N 2 1 299.462 4.349 20 0 CIADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](C3CCCC3)CC2)cs1 ZINC000453120264 331091273 /nfs/dbraw/zinc/09/12/73/331091273.db2.gz CDVHSUCGLROZET-CQSZACIVSA-N 2 1 292.492 4.114 20 0 CIADMP CC[C@@H](C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000462118280 331317671 /nfs/dbraw/zinc/31/76/71/331317671.db2.gz DQOLOXWSZNCQLM-CXAGYDPISA-N 2 1 294.870 4.111 20 0 CIADMP CC[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)C1 ZINC000462691800 331325215 /nfs/dbraw/zinc/32/52/15/331325215.db2.gz ZKWKFLPVCRPYGM-KSZLIROESA-N 2 1 280.500 4.057 20 0 CIADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC000464868295 331372020 /nfs/dbraw/zinc/37/20/20/331372020.db2.gz KZFVEZFPKPLMNZ-IAGOWNOFSA-N 2 1 280.500 4.007 20 0 CIADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC000464868297 331372117 /nfs/dbraw/zinc/37/21/17/331372117.db2.gz KZFVEZFPKPLMNZ-SJORKVTESA-N 2 1 280.500 4.007 20 0 CIADMP CCC[C@H](CC)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309871343 333050745 /nfs/dbraw/zinc/05/07/45/333050745.db2.gz RFPXPWGLCHCAKI-WDSOQIARSA-N 2 1 288.479 4.065 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H]1CCC(C)C ZINC000539069786 333654812 /nfs/dbraw/zinc/65/48/12/333654812.db2.gz XUYUDIGLYYJHPB-NXHRZFHOSA-N 2 1 291.483 4.022 20 0 CIADMP C[C@H]([NH2+][C@@H]1C=CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000549932028 334209497 /nfs/dbraw/zinc/20/94/97/334209497.db2.gz OSRWHVRJOHFDRL-OKZBNKHCSA-N 2 1 290.495 4.118 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1C=CCCCCC1 ZINC000549996721 334210968 /nfs/dbraw/zinc/21/09/68/334210968.db2.gz JFAWKTROYPUQFX-QGZVFWFLSA-N 2 1 289.467 4.046 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1C=CCCCCC1 ZINC000549996721 334210969 /nfs/dbraw/zinc/21/09/69/334210969.db2.gz JFAWKTROYPUQFX-QGZVFWFLSA-N 2 1 289.467 4.046 20 0 CIADMP c1cc(C2CCC2)ccc1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000550215507 334216101 /nfs/dbraw/zinc/21/61/01/334216101.db2.gz DDBSMRZRZVJOGJ-UHFFFAOYSA-N 2 1 298.474 4.061 20 0 CIADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+][C@@H]1CCCC12CCCC2 ZINC000550622350 334225503 /nfs/dbraw/zinc/22/55/03/334225503.db2.gz TZPCEHYNHPVHQI-ZWKOTPCHSA-N 2 1 292.511 4.344 20 0 CIADMP CC(C)C(C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000551804552 334262326 /nfs/dbraw/zinc/26/23/26/334262326.db2.gz ACOLOHZAZQFNGW-SJORKVTESA-N 2 1 294.527 4.157 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247965478 334292255 /nfs/dbraw/zinc/29/22/55/334292255.db2.gz GTMRJXWWECLRIU-QBYUYEEZSA-N 2 1 294.508 4.155 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247965478 334292256 /nfs/dbraw/zinc/29/22/56/334292256.db2.gz GTMRJXWWECLRIU-QBYUYEEZSA-N 2 1 294.508 4.155 20 0 CIADMP C[C@@H]([NH2+][C@@H](C)c1cccs1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248408248 334300569 /nfs/dbraw/zinc/30/05/69/334300569.db2.gz VHEYGJHGGATSIR-ILXRZTDVSA-N 2 1 292.492 4.052 20 0 CIADMP CCCc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000552561768 334335753 /nfs/dbraw/zinc/33/57/53/334335753.db2.gz BQINXAKRNODLRA-HZPDHXFCSA-N 2 1 299.462 4.131 20 0 CIADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000250694621 334348591 /nfs/dbraw/zinc/34/85/91/334348591.db2.gz LHEBBKYPPVSZTL-ZACQAIPSSA-N 2 1 292.511 4.055 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC[N@@H+]1C ZINC000252175672 334375847 /nfs/dbraw/zinc/37/58/47/334375847.db2.gz RYLIJTWEFYMLQH-WCXIOVBPSA-N 2 1 280.500 4.054 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](C(C)(C)C)CC2)CC[N@H+]1C ZINC000252175672 334375848 /nfs/dbraw/zinc/37/58/48/334375848.db2.gz RYLIJTWEFYMLQH-WCXIOVBPSA-N 2 1 280.500 4.054 20 0 CIADMP CC(C)(C)C1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252729897 334387693 /nfs/dbraw/zinc/38/76/93/334387693.db2.gz IUDHIJFGSJNLFH-FOIPXRHGSA-N 2 1 292.511 4.055 20 0 CIADMP CCCC[NH+]1CCC([NH2+][C@H](CC)c2ccsc2)CC1 ZINC000382195458 336084494 /nfs/dbraw/zinc/08/44/94/336084494.db2.gz ZSVAWIVCLDMMQT-MRXNPFEDSA-N 2 1 280.481 4.053 20 0 CIADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C[C@H]1c1ccccc1 ZINC000340368825 523967084 /nfs/dbraw/zinc/96/70/84/523967084.db2.gz DVQFVHAAZAWNRX-MOPGFXCFSA-N 2 1 298.474 4.134 20 0 CIADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C[C@H]1c1ccccc1 ZINC000340368825 523967088 /nfs/dbraw/zinc/96/70/88/523967088.db2.gz DVQFVHAAZAWNRX-MOPGFXCFSA-N 2 1 298.474 4.134 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](c1ccccc1)C(C)C ZINC000354512050 227019068 /nfs/dbraw/zinc/01/90/68/227019068.db2.gz WRMXRGIOOJZNHG-IBGZPJMESA-N 2 1 299.462 4.001 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](c1ccccc1)C(C)C ZINC000354512052 227019615 /nfs/dbraw/zinc/01/96/15/227019615.db2.gz WRMXRGIOOJZNHG-LJQANCHMSA-N 2 1 299.462 4.001 20 0 CIADMP Cc1ccc(CCC[N@H+](C)[C@@H](C)c2ccccc2)cn1 ZINC000353388310 228094004 /nfs/dbraw/zinc/09/40/04/228094004.db2.gz ZBXHOFLJJAIJQS-INIZCTEOSA-N 2 1 268.404 4.016 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000525488592 260200964 /nfs/dbraw/zinc/20/09/64/260200964.db2.gz YLKPBWYKHYQOCM-YOEHRIQHSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000525488592 260200965 /nfs/dbraw/zinc/20/09/65/260200965.db2.gz YLKPBWYKHYQOCM-YOEHRIQHSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000525488592 260200968 /nfs/dbraw/zinc/20/09/68/260200968.db2.gz YLKPBWYKHYQOCM-YOEHRIQHSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000525488592 260200969 /nfs/dbraw/zinc/20/09/69/260200969.db2.gz YLKPBWYKHYQOCM-YOEHRIQHSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@@H](c1ccc(Cl)cc1)[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000525488592 260200973 /nfs/dbraw/zinc/20/09/73/260200973.db2.gz YLKPBWYKHYQOCM-YOEHRIQHSA-N 2 1 294.870 4.065 20 0 CIADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CCC2)cc1 ZINC000186957858 262332295 /nfs/dbraw/zinc/33/22/95/262332295.db2.gz OVNWSAVHNHZCLJ-HXUWFJFHSA-N 2 1 298.474 4.053 20 0 CIADMP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086956905 262347311 /nfs/dbraw/zinc/34/73/11/262347311.db2.gz HGXRNKOPQPRKQQ-CVEARBPZSA-N 2 1 292.511 4.198 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@H+](C1CC1)C1CCC(C)CC1 ZINC000119245803 267312231 /nfs/dbraw/zinc/31/22/31/267312231.db2.gz KZHJYNVRFMEMEB-UHFFFAOYSA-N 2 1 289.467 4.015 20 0 CIADMP Cc1[nH+]ccn1CCCC[N@@H+](C1CC1)C1CCC(C)CC1 ZINC000119245803 267312232 /nfs/dbraw/zinc/31/22/32/267312232.db2.gz KZHJYNVRFMEMEB-UHFFFAOYSA-N 2 1 289.467 4.015 20 0 CIADMP CCC[N@H+](CCCn1cc[nH+]c1C)[C@H](CC)c1ccccc1 ZINC000534956496 328373672 /nfs/dbraw/zinc/37/36/72/328373672.db2.gz NGGVXVJYBCTLTK-LJQANCHMSA-N 2 1 299.462 4.445 20 0 CIADMP CCC[N@@H+](CCCn1cc[nH+]c1C)[C@H](CC)c1ccccc1 ZINC000534956496 328373673 /nfs/dbraw/zinc/37/36/73/328373673.db2.gz NGGVXVJYBCTLTK-LJQANCHMSA-N 2 1 299.462 4.445 20 0 CIADMP CC[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C(C)C ZINC000537971492 327241274 /nfs/dbraw/zinc/24/12/74/327241274.db2.gz STVOEBPEFNCJBC-SFHVURJKSA-N 2 1 276.468 4.051 20 0 CIADMP CCC(C)(C)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000583408398 327349477 /nfs/dbraw/zinc/34/94/77/327349477.db2.gz WARZNRGFNKJLLM-CVEARBPZSA-N 2 1 280.500 4.055 20 0 CIADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCCCC3)CC23CC3)cc1 ZINC000582486141 329096440 /nfs/dbraw/zinc/09/64/40/329096440.db2.gz AFMRFXPFDUSEKB-IBGZPJMESA-N 2 1 298.474 4.106 20 0 CIADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCCCC3)CC23CC3)cc1 ZINC000582486141 329096442 /nfs/dbraw/zinc/09/64/42/329096442.db2.gz AFMRFXPFDUSEKB-IBGZPJMESA-N 2 1 298.474 4.106 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(C2CC2)cc1 ZINC000419348694 329718988 /nfs/dbraw/zinc/71/89/88/329718988.db2.gz XXXDITYKUGAQMY-OAHLLOKOSA-N 2 1 297.446 4.200 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379637447 330143976 /nfs/dbraw/zinc/14/39/76/330143976.db2.gz YRTHQRKKJWYZJR-ZMMAXQRCSA-N 2 1 288.479 4.064 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379637447 330143977 /nfs/dbraw/zinc/14/39/77/330143977.db2.gz YRTHQRKKJWYZJR-ZMMAXQRCSA-N 2 1 288.479 4.064 20 0 CIADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379630713 330144446 /nfs/dbraw/zinc/14/44/46/330144446.db2.gz QDPIYPFHBBGXLD-SCTDSRPQSA-N 2 1 288.479 4.064 20 0 CIADMP CC(C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379630713 330144447 /nfs/dbraw/zinc/14/44/47/330144447.db2.gz QDPIYPFHBBGXLD-SCTDSRPQSA-N 2 1 288.479 4.064 20 0 CIADMP Cc1ccc([C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C2CC2)cc1 ZINC000422801714 330155553 /nfs/dbraw/zinc/15/55/53/330155553.db2.gz AFOYJIDQLAWXOG-AABGKKOBSA-N 2 1 292.426 4.181 20 0 CIADMP Cc1ccc([C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C2CC2)cc1 ZINC000422801716 330155845 /nfs/dbraw/zinc/15/58/45/330155845.db2.gz AFOYJIDQLAWXOG-UFYCRDLUSA-N 2 1 292.426 4.181 20 0 CIADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)c2ccccc21 ZINC000423082149 330168815 /nfs/dbraw/zinc/16/88/15/330168815.db2.gz WDXBTDBGWNJRTQ-VQTJNVASSA-N 2 1 292.426 4.189 20 0 CIADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(C2CC2)c1 ZINC000423142704 330172464 /nfs/dbraw/zinc/17/24/64/330172464.db2.gz BGOXKKRVVJWPGR-MRFFXTKBSA-N 2 1 292.426 4.359 20 0 CIADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(-c2ccccc2Cl)s1 ZINC000423361952 330193889 /nfs/dbraw/zinc/19/38/89/330193889.db2.gz HFPIJEMDXSEUJB-WDEREUQCSA-N 2 1 294.851 4.066 20 0 CIADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000423442233 330201843 /nfs/dbraw/zinc/20/18/43/330201843.db2.gz JSBVVOBVMXPUJC-IHRRRGAJSA-N 2 1 292.492 4.108 20 0 CIADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(SC2CCCC2)cc1 ZINC000423442237 330201914 /nfs/dbraw/zinc/20/19/14/330201914.db2.gz JSBVVOBVMXPUJC-MCIONIFRSA-N 2 1 292.492 4.108 20 0 CIADMP CC(C)c1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000527906406 330290255 /nfs/dbraw/zinc/29/02/55/330290255.db2.gz WVIJXIARNVKFLH-AQXGTKIOSA-N 2 1 286.463 4.086 20 0 CIADMP CC[C@H](C)c1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000527876476 330291329 /nfs/dbraw/zinc/29/13/29/330291329.db2.gz OTBIHGFERHBCAE-HOTGVXAUSA-N 2 1 286.463 4.113 20 0 CIADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(Cl)c(F)c1 ZINC000212767374 330367285 /nfs/dbraw/zinc/36/72/85/330367285.db2.gz KDVUHAJRFSLAAP-ZDUSSCGKSA-N 2 1 298.833 4.006 20 0 CIADMP CC(C)[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000536998895 330375292 /nfs/dbraw/zinc/37/52/92/330375292.db2.gz PGMMGDAUSKUUCW-PKOBYXMFSA-N 2 1 288.479 4.094 20 0 CIADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2F)CC1 ZINC000449344592 330916654 /nfs/dbraw/zinc/91/66/54/330916654.db2.gz RTYUVXKCEFREHT-CVEARBPZSA-N 2 1 298.490 4.146 20 0 CIADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000453143496 331093749 /nfs/dbraw/zinc/09/37/49/331093749.db2.gz FSUTWOPZPIXGNP-CZUORRHYSA-N 2 1 292.492 4.149 20 0 CIADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1ccsc1 ZINC000453167932 331096481 /nfs/dbraw/zinc/09/64/81/331096481.db2.gz JGUAQVCHIOLLBS-WBVHZDCISA-N 2 1 294.508 4.157 20 0 CIADMP CC(C)[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000453375637 331124796 /nfs/dbraw/zinc/12/47/96/331124796.db2.gz XYVTXAJVYATIPA-KBOHQZAKSA-N 2 1 298.474 4.086 20 0 CIADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453388637 331127075 /nfs/dbraw/zinc/12/70/75/331127075.db2.gz BUMAULMLNYDLHA-QAPCUYQASA-N 2 1 286.463 4.007 20 0 CIADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000453403736 331129075 /nfs/dbraw/zinc/12/90/75/331129075.db2.gz OPXZSUYEUUGAIU-GFCCVEGCSA-N 2 1 298.833 4.004 20 0 CIADMP c1cc(C2CC2)ccc1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000459345555 331277381 /nfs/dbraw/zinc/27/73/81/331277381.db2.gz NPEQIASYFMNHRP-FQEVSTJZSA-N 2 1 298.474 4.014 20 0 CIADMP CCC1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000462688503 331325225 /nfs/dbraw/zinc/32/52/25/331325225.db2.gz UGVBOKKNEAIHHH-AOCRQIFASA-N 2 1 280.500 4.057 20 0 CIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(C(C)(C)C)CC2)C1 ZINC000462750139 331327436 /nfs/dbraw/zinc/32/74/36/331327436.db2.gz WVEIMLQZDYSNKA-WWDZGPRUSA-N 2 1 294.527 4.301 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1ccccc1C)C(C)C ZINC000091346673 334376924 /nfs/dbraw/zinc/37/69/24/334376924.db2.gz FWZYGGOYVUWZEC-LJQANCHMSA-N 2 1 299.462 4.267 20 0 CIADMP CCCC[C@H](CC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309677261 333046894 /nfs/dbraw/zinc/04/68/94/333046894.db2.gz XNFIPYWMJKAFFR-MOPGFXCFSA-N 2 1 288.479 4.067 20 0 CIADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC(C)(C)C)C1 ZINC000521817757 333189636 /nfs/dbraw/zinc/18/96/36/333189636.db2.gz RDZNDJRYFUHPDS-INIZCTEOSA-N 2 1 288.479 4.054 20 0 CIADMP CCC[NH+](CCC)CCC[NH2+]Cc1cc2ccccc2o1 ZINC000521830232 333191929 /nfs/dbraw/zinc/19/19/29/333191929.db2.gz IPPWNBRBGZAYRB-UHFFFAOYSA-N 2 1 288.435 4.035 20 0 CIADMP CCC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000224109949 333216818 /nfs/dbraw/zinc/21/68/18/333216818.db2.gz NHWOKXOWSXSTJU-XKQJLSEDSA-N 2 1 294.870 4.254 20 0 CIADMP CCC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000224109949 333216820 /nfs/dbraw/zinc/21/68/20/333216820.db2.gz NHWOKXOWSXSTJU-XKQJLSEDSA-N 2 1 294.870 4.254 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000227375445 333281981 /nfs/dbraw/zinc/28/19/81/333281981.db2.gz IYDMYUAHISARBY-OTBWCIGPSA-N 2 1 280.500 4.054 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000227375445 333281982 /nfs/dbraw/zinc/28/19/82/333281982.db2.gz IYDMYUAHISARBY-OTBWCIGPSA-N 2 1 280.500 4.054 20 0 CIADMP CSc1ccc([C@@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000227537263 333285234 /nfs/dbraw/zinc/28/52/34/333285234.db2.gz LINGKBRMKNBPNQ-NXOUGTEYSA-N 2 1 298.455 4.204 20 0 CIADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C)c(Cl)c2)CC1 ZINC000232968271 333346365 /nfs/dbraw/zinc/34/63/65/333346365.db2.gz YTKRSNGXQYCOAR-UHFFFAOYSA-N 2 1 294.870 4.003 20 0 CIADMP C[C@H]([NH2+]C1(C[NH2+][C@@H](C)C2CC2)CCCC1)c1ccccc1 ZINC000237541287 333380026 /nfs/dbraw/zinc/38/00/26/333380026.db2.gz BPYJGLANVIXCQV-HOTGVXAUSA-N 2 1 286.463 4.038 20 0 CIADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2ccccc2c1 ZINC000524755514 333386551 /nfs/dbraw/zinc/38/65/51/333386551.db2.gz DILYHGZDZUAZGH-HXUWFJFHSA-N 2 1 296.458 4.146 20 0 CIADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2ccccc2c1 ZINC000524755514 333386553 /nfs/dbraw/zinc/38/65/53/333386553.db2.gz DILYHGZDZUAZGH-HXUWFJFHSA-N 2 1 296.458 4.146 20 0 CIADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2ccccc2c1 ZINC000524755514 333386554 /nfs/dbraw/zinc/38/65/54/333386554.db2.gz DILYHGZDZUAZGH-HXUWFJFHSA-N 2 1 296.458 4.146 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CCC1CCCCC1 ZINC000540169408 333717289 /nfs/dbraw/zinc/71/72/89/333717289.db2.gz RKRMTKHUYUCQIX-HZPDHXFCSA-N 2 1 291.483 4.166 20 0 CIADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000576128479 335158521 /nfs/dbraw/zinc/15/85/21/335158521.db2.gz BVSFEVYGHUAQNN-KRWDZBQOSA-N 2 1 299.462 4.200 20 0 CIADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1c(C)cc(C)cc1C ZINC000576128479 335158522 /nfs/dbraw/zinc/15/85/22/335158522.db2.gz BVSFEVYGHUAQNN-KRWDZBQOSA-N 2 1 299.462 4.200 20 0 CIADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCCCC2)C3)cc1 ZINC000245746986 334216931 /nfs/dbraw/zinc/21/69/31/334216931.db2.gz STAHPPPWOMYBAQ-OWZKRDHZSA-N 2 1 298.474 4.104 20 0 CIADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550700846 334227140 /nfs/dbraw/zinc/22/71/40/334227140.db2.gz PPKSZXQPNFMFPW-PBWTXFEYSA-N 2 1 288.479 4.236 20 0 CIADMP CC[C@H](C)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550700846 334227141 /nfs/dbraw/zinc/22/71/41/334227141.db2.gz PPKSZXQPNFMFPW-PBWTXFEYSA-N 2 1 288.479 4.236 20 0 CIADMP CC1=CC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000550940553 334234512 /nfs/dbraw/zinc/23/45/12/334234512.db2.gz REAWPUCAPNESII-LJQANCHMSA-N 2 1 286.463 4.115 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000247965473 334292421 /nfs/dbraw/zinc/29/24/21/334292421.db2.gz GTMRJXWWECLRIU-LJIGWXMPSA-N 2 1 294.508 4.155 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000247965473 334292423 /nfs/dbraw/zinc/29/24/23/334292423.db2.gz GTMRJXWWECLRIU-LJIGWXMPSA-N 2 1 294.508 4.155 20 0 CIADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000552223371 334305227 /nfs/dbraw/zinc/30/52/27/334305227.db2.gz SBVJXLUSKBIKEJ-OALUTQOASA-N 2 1 288.479 4.051 20 0 CIADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000552245094 334307690 /nfs/dbraw/zinc/30/76/90/334307690.db2.gz QSTXOTYWNCXCPJ-GJYPPUQNSA-N 2 1 288.479 4.018 20 0 CIADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000552245094 334307691 /nfs/dbraw/zinc/30/76/91/334307691.db2.gz QSTXOTYWNCXCPJ-GJYPPUQNSA-N 2 1 288.479 4.018 20 0 CIADMP CCCc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000552561766 334335655 /nfs/dbraw/zinc/33/56/55/334335655.db2.gz BQINXAKRNODLRA-CVEARBPZSA-N 2 1 299.462 4.131 20 0 CIADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000250581677 334346517 /nfs/dbraw/zinc/34/65/17/334346517.db2.gz VZRGLFPZFNLHJE-SNRMKQJTSA-N 2 1 286.463 4.087 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252674875 334385139 /nfs/dbraw/zinc/38/51/39/334385139.db2.gz VAMGYFCPEQSFED-HIEASXQVSA-N 2 1 292.511 4.198 20 0 CIADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCC3(CCCCC3)CC2)C1 ZINC000577661946 335387023 /nfs/dbraw/zinc/38/70/23/335387023.db2.gz FDXJIBQRGDDOEK-KRWDZBQOSA-N 2 1 292.511 4.199 20 0 CIADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@H]1C)c1ccsc1 ZINC000382129476 336082326 /nfs/dbraw/zinc/08/23/26/336082326.db2.gz OJFOXQUNPGGOQS-GDBMZVCRSA-N 2 1 280.481 4.053 20 0 CIADMP CC(C)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130134063 519840023 /nfs/dbraw/zinc/84/00/23/519840023.db2.gz VZRGLFPZFNLHJE-ZYSHUDEJSA-N 2 1 286.463 4.087 20 0 CIADMP CCC[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccccc1 ZINC000157345255 521177367 /nfs/dbraw/zinc/17/73/67/521177367.db2.gz IIBVPKHPQCYXIG-FHWLQOOXSA-N 2 1 280.415 4.262 20 0 CIADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000037140995 522811358 /nfs/dbraw/zinc/81/13/58/522811358.db2.gz SDTJIBLXBLDBND-QGZVFWFLSA-N 2 1 292.854 4.008 20 0 CIADMP Cc1cc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c(C)s1 ZINC000157364381 525531920 /nfs/dbraw/zinc/53/19/20/525531920.db2.gz XXTYCXMISNZFMU-GOPGUHFVSA-N 2 1 286.444 4.160 20 0 CIADMP C[C@@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000157262675 525695896 /nfs/dbraw/zinc/69/58/96/525695896.db2.gz OUMIJFGDLNWFCK-NVGVWMPQSA-N 2 1 286.806 4.135 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1ccccc1C ZINC000191510339 528865742 /nfs/dbraw/zinc/86/57/42/528865742.db2.gz ZGICPQWEWBLYON-KRWDZBQOSA-N 2 1 299.462 4.227 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1ccccc1C ZINC000191510339 528865749 /nfs/dbraw/zinc/86/57/49/528865749.db2.gz ZGICPQWEWBLYON-KRWDZBQOSA-N 2 1 299.462 4.227 20 0 CIADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000020189400 171055467 /nfs/dbraw/zinc/05/54/67/171055467.db2.gz SWNIQBWVHQFNNY-LBPRGKRZSA-N 2 1 298.833 4.003 20 0 CIADMP CCC(CC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390607849 262226686 /nfs/dbraw/zinc/22/66/86/262226686.db2.gz WDGREHZVKWHHHJ-GOSISDBHSA-N 2 1 288.479 4.065 20 0 CIADMP CCC(CC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390607849 262226687 /nfs/dbraw/zinc/22/66/87/262226687.db2.gz WDGREHZVKWHHHJ-GOSISDBHSA-N 2 1 288.479 4.065 20 0 CIADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000221854335 262307024 /nfs/dbraw/zinc/30/70/24/262307024.db2.gz CDSDQQOTTILAEU-JQFCIGGWSA-N 2 1 294.870 4.109 20 0 CIADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000221854335 262307026 /nfs/dbraw/zinc/30/70/26/262307026.db2.gz CDSDQQOTTILAEU-JQFCIGGWSA-N 2 1 294.870 4.109 20 0 CIADMP CC(C)c1[nH+]ccn1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000412999436 262751579 /nfs/dbraw/zinc/75/15/79/262751579.db2.gz KZQLFGHYRFAYLQ-UHFFFAOYSA-N 2 1 297.446 4.041 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C)CCC2)cc1 ZINC000358410779 266460646 /nfs/dbraw/zinc/46/06/46/266460646.db2.gz XWLIZSUOLQTVCA-AWEZNQCLSA-N 2 1 283.419 4.022 20 0 CIADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1ccc(C)cc1 ZINC000164598462 327722309 /nfs/dbraw/zinc/72/23/09/327722309.db2.gz NZMIYXKNFZDDIV-GOSISDBHSA-N 2 1 285.435 4.021 20 0 CIADMP CC(C)(C)c1ccc([C@H]2CCC[N@H+]2CCn2ccnc2)cc1 ZINC000534296671 328043817 /nfs/dbraw/zinc/04/38/17/328043817.db2.gz IPUIXNUMHKEAEL-GOSISDBHSA-N 2 1 297.446 4.018 20 0 CIADMP CC(C)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303764258 328357848 /nfs/dbraw/zinc/35/78/48/328357848.db2.gz PFYHIKXEMVZYRF-IEBWSBKVSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303764258 328357849 /nfs/dbraw/zinc/35/78/49/328357849.db2.gz PFYHIKXEMVZYRF-IEBWSBKVSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303764258 328357851 /nfs/dbraw/zinc/35/78/51/328357851.db2.gz PFYHIKXEMVZYRF-IEBWSBKVSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303764258 328357852 /nfs/dbraw/zinc/35/78/52/328357852.db2.gz PFYHIKXEMVZYRF-IEBWSBKVSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000559751804 327259407 /nfs/dbraw/zinc/25/94/07/327259407.db2.gz BUUOVJIWUHTCLX-QZTJIDSGSA-N 2 1 292.511 4.199 20 0 CIADMP CCC(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000583408401 327349443 /nfs/dbraw/zinc/34/94/43/327349443.db2.gz WARZNRGFNKJLLM-JKSUJKDBSA-N 2 1 280.500 4.055 20 0 CIADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccsc1 ZINC000178247737 329195127 /nfs/dbraw/zinc/19/51/27/329195127.db2.gz QZFWZZVKLWQDNE-AWEZNQCLSA-N 2 1 292.492 4.196 20 0 CIADMP Cc1cccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1C ZINC000422748731 330153353 /nfs/dbraw/zinc/15/33/53/330153353.db2.gz VUYUZOQTVLPTFS-ZOCIIQOWSA-N 2 1 280.415 4.099 20 0 CIADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2cccc3Cl)c2ccccc21 ZINC000422939227 330161732 /nfs/dbraw/zinc/16/17/32/330161732.db2.gz RCDBXRVFSSUXBW-KURKYZTESA-N 2 1 298.817 4.062 20 0 CIADMP CCSc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423130191 330171490 /nfs/dbraw/zinc/17/14/90/330171490.db2.gz MVIZKWOAPPIDLU-MSOLQXFVSA-N 2 1 298.455 4.033 20 0 CIADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c3ccccc31)CCC2 ZINC000423133714 330172121 /nfs/dbraw/zinc/17/21/21/330172121.db2.gz VZPDIVZEAQKTOA-HSALFYBXSA-N 2 1 292.426 4.107 20 0 CIADMP CC(C)[C@@H](C)[NH+](C)CCCCC[N@H+](C)[C@@H](C)C(C)C ZINC000533247175 330355219 /nfs/dbraw/zinc/35/52/19/330355219.db2.gz YMPPVPJDPKQKAT-CALCHBBNSA-N 2 1 270.505 4.109 20 0 CIADMP CC(C)[C@@H](C)[N@@H+](C)CCCCC[NH+](C)[C@@H](C)C(C)C ZINC000533247175 330355220 /nfs/dbraw/zinc/35/52/20/330355220.db2.gz YMPPVPJDPKQKAT-CALCHBBNSA-N 2 1 270.505 4.109 20 0 CIADMP CC(C)[C@@H](C)[N@H+](C)CCCCC[NH+](C)[C@@H](C)C(C)C ZINC000533247175 330355221 /nfs/dbraw/zinc/35/52/21/330355221.db2.gz YMPPVPJDPKQKAT-CALCHBBNSA-N 2 1 270.505 4.109 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C3CC3)CC2)cc1 ZINC000090772807 330395769 /nfs/dbraw/zinc/39/57/69/330395769.db2.gz YTIMVKCTNNTFAT-AWEZNQCLSA-N 2 1 295.430 4.022 20 0 CIADMP CC(C)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccs1 ZINC000453335920 331118452 /nfs/dbraw/zinc/11/84/52/331118452.db2.gz FCUUNTMOELBDQI-WTXIUTQJSA-N 2 1 292.492 4.050 20 0 CIADMP C[C@H]([NH2+]C1CC(C(C)(C)C)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459468471 331283099 /nfs/dbraw/zinc/28/30/99/331283099.db2.gz QTAVZFCWFZLAPX-NJINODPHSA-N 2 1 292.511 4.054 20 0 CIADMP C[C@H]([NH2+]C1CC(C(C)(C)C)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459468470 331283162 /nfs/dbraw/zinc/28/31/62/331283162.db2.gz QTAVZFCWFZLAPX-JUVOFCAFSA-N 2 1 292.511 4.054 20 0 CIADMP CC[C@@H]1CCC[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000462691801 331325302 /nfs/dbraw/zinc/32/53/02/331325302.db2.gz ZKWKFLPVCRPYGM-KURKYZTESA-N 2 1 280.500 4.057 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000464787805 331368300 /nfs/dbraw/zinc/36/83/00/331368300.db2.gz FMSOQWKJLNKEFV-RHSMWYFYSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000464787805 331368301 /nfs/dbraw/zinc/36/83/01/331368301.db2.gz FMSOQWKJLNKEFV-RHSMWYFYSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000464787805 331368302 /nfs/dbraw/zinc/36/83/02/331368302.db2.gz FMSOQWKJLNKEFV-RHSMWYFYSA-N 2 1 294.870 4.065 20 0 CIADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000464787805 331368303 /nfs/dbraw/zinc/36/83/03/331368303.db2.gz FMSOQWKJLNKEFV-RHSMWYFYSA-N 2 1 294.870 4.065 20 0 CIADMP CC(C)=CCC[C@H](C)CC[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000482165754 331826275 /nfs/dbraw/zinc/82/62/75/331826275.db2.gz SPJAIJOMEOMMJH-DLBZAZTESA-N 2 1 291.483 4.190 20 0 CIADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(F)c(Cl)c1 ZINC000484498769 331900460 /nfs/dbraw/zinc/90/04/60/331900460.db2.gz HXKUZBDVJMYMLH-IACUBPJLSA-N 2 1 298.833 4.003 20 0 CIADMP CC[C@@H](C)[NH+](C)Cc1ccccc1C[N@H+](C)[C@@H](C)CC ZINC000489656753 332063423 /nfs/dbraw/zinc/06/34/23/332063423.db2.gz DDADVBZNMVSWDO-IYBDPMFKSA-N 2 1 276.468 4.147 20 0 CIADMP CC[C@@H](C)[N@@H+](C)Cc1ccccc1C[NH+](C)[C@@H](C)CC ZINC000489656753 332063425 /nfs/dbraw/zinc/06/34/25/332063425.db2.gz DDADVBZNMVSWDO-IYBDPMFKSA-N 2 1 276.468 4.147 20 0 CIADMP CC[C@@H](C)[N@H+](C)Cc1ccccc1C[NH+](C)[C@@H](C)CC ZINC000489656753 332063426 /nfs/dbraw/zinc/06/34/26/332063426.db2.gz DDADVBZNMVSWDO-IYBDPMFKSA-N 2 1 276.468 4.147 20 0 CIADMP CCCC(CCC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309750858 333048681 /nfs/dbraw/zinc/04/86/81/333048681.db2.gz VVBXFTVBUHAAHZ-SFHVURJKSA-N 2 1 288.479 4.067 20 0 CIADMP CCC[C@H](CC)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309871342 333050683 /nfs/dbraw/zinc/05/06/83/333050683.db2.gz RFPXPWGLCHCAKI-UHOSZYNNSA-N 2 1 288.479 4.065 20 0 CIADMP Cc1cccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)c1C ZINC000517536505 333101504 /nfs/dbraw/zinc/10/15/04/333101504.db2.gz PAIYRXWXTGPOKD-KRWDZBQOSA-N 2 1 288.479 4.048 20 0 CIADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)c2ccccc2)c1 ZINC000173358336 335132433 /nfs/dbraw/zinc/13/24/33/335132433.db2.gz AUBHJPHQEZPPDP-QGZVFWFLSA-N 2 1 296.458 4.378 20 0 CIADMP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000125147922 333564329 /nfs/dbraw/zinc/56/43/29/333564329.db2.gz VFGYZERRSUMSJJ-APWZRJJASA-N 2 1 288.479 4.236 20 0 CIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000237333091 334086668 /nfs/dbraw/zinc/08/66/68/334086668.db2.gz YUMLCZUYQSKVIA-OOHWJJMZSA-N 2 1 291.483 4.022 20 0 CIADMP CC(C)(C)C1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000135691676 334136448 /nfs/dbraw/zinc/13/64/48/334136448.db2.gz IUDHIJFGSJNLFH-ZGUYJTEBSA-N 2 1 292.511 4.055 20 0 CIADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN([C@@H]2C=CCCCCC2)C1 ZINC000549527984 334196376 /nfs/dbraw/zinc/19/63/76/334196376.db2.gz ZGDGGPSISJGAKI-FCGDIQPGSA-N 2 1 290.495 4.213 20 0 CIADMP CC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000247956223 334292046 /nfs/dbraw/zinc/29/20/46/334292046.db2.gz FOOMRONFEGNYTL-GVDBMIGSSA-N 2 1 288.479 4.236 20 0 CIADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1)C(C)C ZINC000247965453 334292452 /nfs/dbraw/zinc/29/24/52/334292452.db2.gz GTCLEDFTQFMHFT-YQQAZPJKSA-N 2 1 294.508 4.155 20 0 CIADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)C(C)C ZINC000247965453 334292453 /nfs/dbraw/zinc/29/24/53/334292453.db2.gz GTCLEDFTQFMHFT-YQQAZPJKSA-N 2 1 294.508 4.155 20 0 CIADMP C[N@@H+]1CCC[C@H](C[NH2+]CCC(C)(C)C)[C@@H]1c1cccs1 ZINC000249500240 334334931 /nfs/dbraw/zinc/33/49/31/334334931.db2.gz HOGLPQWZHXAFAV-GDBMZVCRSA-N 2 1 294.508 4.157 20 0 CIADMP C[N@H+]1CCC[C@H](C[NH2+]CCC(C)(C)C)[C@@H]1c1cccs1 ZINC000249500240 334334932 /nfs/dbraw/zinc/33/49/32/334334932.db2.gz HOGLPQWZHXAFAV-GDBMZVCRSA-N 2 1 294.508 4.157 20 0 CIADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccs1 ZINC000090585209 334364044 /nfs/dbraw/zinc/36/40/44/334364044.db2.gz CSEDRMSEVWGWDZ-HOTGVXAUSA-N 2 1 294.508 4.157 20 0 CIADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1)c1cccs1 ZINC000090585213 334364146 /nfs/dbraw/zinc/36/41/46/334364146.db2.gz CSEDRMSEVWGWDZ-CVEARBPZSA-N 2 1 294.508 4.157 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)CC[N@@H+]1C ZINC000252193170 334376305 /nfs/dbraw/zinc/37/63/05/334376305.db2.gz VFCDTEQIQOYKNR-OQIJWPOYSA-N 2 1 292.511 4.198 20 0 CIADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)CC[N@H+]1C ZINC000252193170 334376307 /nfs/dbraw/zinc/37/63/07/334376307.db2.gz VFCDTEQIQOYKNR-OQIJWPOYSA-N 2 1 292.511 4.198 20 0 CIADMP CC[C@@H]1C[C@H](C)C[NH+]1CCCC[N@@H+]1C[C@@H](C)C[C@@H]1CC ZINC000580684823 335322221 /nfs/dbraw/zinc/32/22/21/335322221.db2.gz XXOFGPNONYKXSE-XLAORIBOSA-N 2 1 280.500 4.007 20 0 CIADMP CC[C@@H]1C[C@H](C)C[N@H+]1CCCC[NH+]1C[C@@H](C)C[C@@H]1CC ZINC000580684823 335322222 /nfs/dbraw/zinc/32/22/22/335322222.db2.gz XXOFGPNONYKXSE-XLAORIBOSA-N 2 1 280.500 4.007 20 0 CIADMP CC[C@@H]1C[C@H](C)C[N@@H+]1CCCC[NH+]1C[C@@H](C)C[C@@H]1CC ZINC000580684823 335322224 /nfs/dbraw/zinc/32/22/24/335322224.db2.gz XXOFGPNONYKXSE-XLAORIBOSA-N 2 1 280.500 4.007 20 0 CIADMP CCC[C@@H](C)C[N@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000577424262 335351341 /nfs/dbraw/zinc/35/13/41/335351341.db2.gz GAIUQJPOAVBQLD-QGZVFWFLSA-N 2 1 288.479 4.019 20 0 CIADMP CCC[C@@H](C)C[N@@H+](Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000577424262 335351342 /nfs/dbraw/zinc/35/13/42/335351342.db2.gz GAIUQJPOAVBQLD-QGZVFWFLSA-N 2 1 288.479 4.019 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CC(C)C)c1ccccc1 ZINC000177370661 335371013 /nfs/dbraw/zinc/37/10/13/335371013.db2.gz RNQZEQZXFOZIQU-IBGZPJMESA-N 2 1 299.462 4.349 20 0 CIADMP C[N@@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340368830 523967071 /nfs/dbraw/zinc/96/70/71/523967071.db2.gz DVQFVHAAZAWNRX-RTBURBONSA-N 2 1 298.474 4.134 20 0 CIADMP C[N@H+]1CC[C@@H]([NH2+]C2CCC3(CC3)CC2)C[C@@H]1c1ccccc1 ZINC000340368830 523967074 /nfs/dbraw/zinc/96/70/74/523967074.db2.gz DVQFVHAAZAWNRX-RTBURBONSA-N 2 1 298.474 4.134 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(C)(C)C)cc1 ZINC000341908020 130121897 /nfs/dbraw/zinc/12/18/97/130121897.db2.gz LLUSBRLSCSBNNC-CQSZACIVSA-N 2 1 285.435 4.268 20 0 CIADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000352802907 227239622 /nfs/dbraw/zinc/23/96/22/227239622.db2.gz XAECITCVXBMNJA-APWZRJJASA-N 2 1 297.446 4.055 20 0 CIADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)CC[C@H]1c1ccccc1 ZINC000352802907 227239626 /nfs/dbraw/zinc/23/96/26/227239626.db2.gz XAECITCVXBMNJA-APWZRJJASA-N 2 1 297.446 4.055 20 0 CIADMP CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000091957366 260266929 /nfs/dbraw/zinc/26/69/29/260266929.db2.gz HKMKPKYZSACHAP-BBWFWOEESA-N 2 1 292.854 4.008 20 0 CIADMP CC(C)C1CCC(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000313698030 261367859 /nfs/dbraw/zinc/36/78/59/261367859.db2.gz AKJLINYBCCOUNI-UDFCRJRASA-N 2 1 292.511 4.054 20 0 CIADMP CC(C)[N@H+](C)CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000318955487 262135619 /nfs/dbraw/zinc/13/56/19/262135619.db2.gz DFYDTYXFZFBBGK-UHFFFAOYSA-N 2 1 294.442 4.076 20 0 CIADMP CC(C)[N@@H+](C)CCC[NH2+]C1c2ccccc2-c2ccccc21 ZINC000318955487 262135621 /nfs/dbraw/zinc/13/56/21/262135621.db2.gz DFYDTYXFZFBBGK-UHFFFAOYSA-N 2 1 294.442 4.076 20 0 CIADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000319071586 262164710 /nfs/dbraw/zinc/16/47/10/262164710.db2.gz GDZJYBSHWIYEBY-UHFFFAOYSA-N 2 1 296.458 4.174 20 0 CIADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000319071586 262164711 /nfs/dbraw/zinc/16/47/11/262164711.db2.gz GDZJYBSHWIYEBY-UHFFFAOYSA-N 2 1 296.458 4.174 20 0 CIADMP C[NH+](C)CCC[NH2+][C@H](c1cc2ccccc2o1)C(C)(C)C ZINC000497514969 262171842 /nfs/dbraw/zinc/17/18/42/262171842.db2.gz BOEPKKQUIPDMTH-QGZVFWFLSA-N 2 1 288.435 4.061 20 0 CIADMP CCC[C@@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390553168 262215086 /nfs/dbraw/zinc/21/50/86/262215086.db2.gz KRRHLPAYOVUVAH-SJLPKXTDSA-N 2 1 288.479 4.065 20 0 CIADMP CCC[C@@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390553168 262215087 /nfs/dbraw/zinc/21/50/87/262215087.db2.gz KRRHLPAYOVUVAH-SJLPKXTDSA-N 2 1 288.479 4.065 20 0 CIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC23CCC3)CC1 ZINC000502729710 262227360 /nfs/dbraw/zinc/22/73/60/262227360.db2.gz ZLHYPUNQEUWGIH-VQIMIIECSA-N 2 1 298.474 4.134 20 0 CIADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000221854280 262307068 /nfs/dbraw/zinc/30/70/68/262307068.db2.gz CDSDQQOTTILAEU-XKQJLSEDSA-N 2 1 294.870 4.109 20 0 CIADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(Cl)cc1 ZINC000221854280 262307069 /nfs/dbraw/zinc/30/70/69/262307069.db2.gz CDSDQQOTTILAEU-XKQJLSEDSA-N 2 1 294.870 4.109 20 0 CIADMP CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000390767704 262338520 /nfs/dbraw/zinc/33/85/20/262338520.db2.gz JDVPBGDSEOZYTE-MJGOQNOKSA-N 2 1 288.479 4.067 20 0 CIADMP Cc1ccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cc1 ZINC000065976623 265006576 /nfs/dbraw/zinc/00/65/76/265006576.db2.gz OVUNHXQYINNSLK-UHFFFAOYSA-N 2 1 296.458 4.125 20 0 CIADMP Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000531691552 328024646 /nfs/dbraw/zinc/02/46/46/328024646.db2.gz FCCFLLQTCWQUTH-ZWKOTPCHSA-N 2 1 288.479 4.300 20 0 CIADMP CCC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)c1ccsc1 ZINC000187699246 328300834 /nfs/dbraw/zinc/30/08/34/328300834.db2.gz PKQZYJCKIJBEJY-XJKSGUPXSA-N 2 1 291.464 4.020 20 0 CIADMP CCCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303745902 328357808 /nfs/dbraw/zinc/35/78/08/328357808.db2.gz JYBWOAGWYCIYKD-MJGOQNOKSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000303745902 328357810 /nfs/dbraw/zinc/35/78/10/328357810.db2.gz JYBWOAGWYCIYKD-MJGOQNOKSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303745902 328357811 /nfs/dbraw/zinc/35/78/11/328357811.db2.gz JYBWOAGWYCIYKD-MJGOQNOKSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000303745902 328357813 /nfs/dbraw/zinc/35/78/13/328357813.db2.gz JYBWOAGWYCIYKD-MJGOQNOKSA-N 2 1 288.479 4.162 20 0 CIADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(Cl)c(F)c1 ZINC000536625237 328669776 /nfs/dbraw/zinc/66/97/76/328669776.db2.gz FLRTXSWSHOESMB-FPMFFAJLSA-N 2 1 298.833 4.003 20 0 CIADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CC(C)(C)C)c1ccccc1 ZINC000583701340 329092996 /nfs/dbraw/zinc/09/29/96/329092996.db2.gz LAKFOICUMMNBDE-GOSISDBHSA-N 2 1 299.462 4.120 20 0 CIADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CC[C@H](C)c2ccccc21 ZINC000178703666 329202718 /nfs/dbraw/zinc/20/27/18/329202718.db2.gz MLAAZOGOLJSQHI-YZVOILCLSA-N 2 1 297.446 4.056 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379637442 330143983 /nfs/dbraw/zinc/14/39/83/330143983.db2.gz YRTHQRKKJWYZJR-DWRORGKVSA-N 2 1 288.479 4.064 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379637442 330143985 /nfs/dbraw/zinc/14/39/85/330143985.db2.gz YRTHQRKKJWYZJR-DWRORGKVSA-N 2 1 288.479 4.064 20 0 CIADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379630714 330144565 /nfs/dbraw/zinc/14/45/65/330144565.db2.gz QDPIYPFHBBGXLD-YQVWRLOYSA-N 2 1 288.479 4.064 20 0 CIADMP CC(C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379630714 330144567 /nfs/dbraw/zinc/14/45/67/330144567.db2.gz QDPIYPFHBBGXLD-YQVWRLOYSA-N 2 1 288.479 4.064 20 0 CIADMP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1C ZINC000422748730 330153426 /nfs/dbraw/zinc/15/34/26/330153426.db2.gz VUYUZOQTVLPTFS-KYNGSXCRSA-N 2 1 280.415 4.099 20 0 CIADMP Cc1cc(C)cc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422882165 330158819 /nfs/dbraw/zinc/15/88/19/330158819.db2.gz AJIDNVXRERIBMN-GDIGMMSISA-N 2 1 280.415 4.099 20 0 CIADMP CCSc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000423130192 330171641 /nfs/dbraw/zinc/17/16/41/330171641.db2.gz MVIZKWOAPPIDLU-QZTJIDSGSA-N 2 1 298.455 4.033 20 0 CIADMP Cc1ccc2c(c1)[C@H]([NH2+][C@H]1C[C@H]([NH3+])c3ccccc31)CCC2 ZINC000423137050 330172151 /nfs/dbraw/zinc/17/21/51/330172151.db2.gz VZPDIVZEAQKTOA-ZCNNSNEGSA-N 2 1 292.426 4.107 20 0 CIADMP CC(C)[C@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C1CC1 ZINC000536855713 330251980 /nfs/dbraw/zinc/25/19/80/330251980.db2.gz BSAQHHNEGPOFMM-IBGZPJMESA-N 2 1 288.479 4.051 20 0 CIADMP CC[C@H](C)c1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000527876678 330291354 /nfs/dbraw/zinc/29/13/54/330291354.db2.gz OTBIHGFERHBCAE-JKSUJKDBSA-N 2 1 286.463 4.113 20 0 CIADMP CC[C@H](C)c1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1 ZINC000527901241 330293463 /nfs/dbraw/zinc/29/34/63/330293463.db2.gz OVOORXHVTICEOM-VBQJREDUSA-N 2 1 297.446 4.131 20 0 CIADMP CCCCc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534290 330329674 /nfs/dbraw/zinc/32/96/74/330329674.db2.gz FQQMNYQITMFVMH-FUHWJXTLSA-N 2 1 288.479 4.022 20 0 CIADMP CCCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000044534284 330329833 /nfs/dbraw/zinc/32/98/33/330329833.db2.gz FQQMNYQITMFVMH-AEFFLSMTSA-N 2 1 288.479 4.022 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1ccccc1C)C1CC1 ZINC000091346698 330400480 /nfs/dbraw/zinc/40/04/80/330400480.db2.gz AGIXMWXTKHLSAT-IBGZPJMESA-N 2 1 297.446 4.021 20 0 CIADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]CCC(C)(C)C)CC1 ZINC000438175328 330718713 /nfs/dbraw/zinc/71/87/13/330718713.db2.gz GSTJQAYOMGTMMA-INIZCTEOSA-N 2 1 288.479 4.238 20 0 CIADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(F)cc1Cl ZINC000453397518 331128065 /nfs/dbraw/zinc/12/80/65/331128065.db2.gz JNWZAAMGYVCBAL-LBPRGKRZSA-N 2 1 298.833 4.004 20 0 CIADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2ccccc2c1 ZINC000453422349 331130778 /nfs/dbraw/zinc/13/07/78/331130778.db2.gz LTQNOGLORDOHER-INIZCTEOSA-N 2 1 296.458 4.365 20 0 CIADMP CC(C)[NH+]1CCC([N@@H+](C)CC[C@H]2CCC[C@H](C)C2)CC1 ZINC000464868294 331372134 /nfs/dbraw/zinc/37/21/34/331372134.db2.gz KZFVEZFPKPLMNZ-DLBZAZTESA-N 2 1 280.500 4.007 20 0 CIADMP CC(C)[NH+](CCC[NH2+][C@H](C)c1cc(F)cc(F)c1)C(C)C ZINC000483845071 331886431 /nfs/dbraw/zinc/88/64/31/331886431.db2.gz AFYLUNNLLGCDBB-CQSZACIVSA-N 2 1 298.421 4.124 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@@H]1C(C)(C)C ZINC000164663010 334885273 /nfs/dbraw/zinc/88/52/73/334885273.db2.gz CFXFSHZCPKPPRL-IRXDYDNUSA-N 2 1 291.483 4.166 20 0 CIADMP CCCC[C@@H](CC)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309677265 333046864 /nfs/dbraw/zinc/04/68/64/333046864.db2.gz XNFIPYWMJKAFFR-RTBURBONSA-N 2 1 288.479 4.067 20 0 CIADMP CC1(C)CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000337633041 335128610 /nfs/dbraw/zinc/12/86/10/335128610.db2.gz QDVWYNVMVWLRBW-BXWFABGCSA-N 2 1 298.474 4.016 20 0 CIADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC000226312792 333256420 /nfs/dbraw/zinc/25/64/20/333256420.db2.gz HMPWWWQZWPMFED-INIZCTEOSA-N 2 1 284.447 4.221 20 0 CIADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c1ccccc1Cl ZINC000523851273 333347991 /nfs/dbraw/zinc/34/79/91/333347991.db2.gz NAVWKPSPAWEAPW-BBRMVZONSA-N 2 1 296.886 4.357 20 0 CIADMP CC1(C)CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000315629656 333382784 /nfs/dbraw/zinc/38/27/84/333382784.db2.gz XPAAGCDATCQBRU-IBGZPJMESA-N 2 1 298.474 4.016 20 0 CIADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)(C)C ZINC000125166471 333564701 /nfs/dbraw/zinc/56/47/01/333564701.db2.gz XZBJHCZXROJXTQ-JKSUJKDBSA-N 2 1 288.479 4.236 20 0 CIADMP Cc1ccccc1[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000137569517 334175049 /nfs/dbraw/zinc/17/50/49/334175049.db2.gz REGZCUOJBDZGCQ-ROUUACIJSA-N 2 1 286.463 4.006 20 0 CIADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000245441035 334193718 /nfs/dbraw/zinc/19/37/18/334193718.db2.gz GYVWBESWELYPHR-SJORKVTESA-N 2 1 296.458 4.174 20 0 CIADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000245441035 334193720 /nfs/dbraw/zinc/19/37/20/334193720.db2.gz GYVWBESWELYPHR-SJORKVTESA-N 2 1 296.458 4.174 20 0 CIADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN([C@H]2C=CCCCCC2)C1 ZINC000549527986 334196338 /nfs/dbraw/zinc/19/63/38/334196338.db2.gz ZGDGGPSISJGAKI-RDGPPVDQSA-N 2 1 290.495 4.213 20 0 CIADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550587772 334224697 /nfs/dbraw/zinc/22/46/97/334224697.db2.gz DEGGYPUIHLDAEL-YTQUADARSA-N 2 1 288.479 4.236 20 0 CIADMP CC(C)CC[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550587772 334224698 /nfs/dbraw/zinc/22/46/98/334224698.db2.gz DEGGYPUIHLDAEL-YTQUADARSA-N 2 1 288.479 4.236 20 0 CIADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+][C@H]1CCCC12CCCC2 ZINC000550622338 334225560 /nfs/dbraw/zinc/22/55/60/334225560.db2.gz TZPCEHYNHPVHQI-MSOLQXFVSA-N 2 1 292.511 4.344 20 0 CIADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000550700847 334227236 /nfs/dbraw/zinc/22/72/36/334227236.db2.gz PPKSZXQPNFMFPW-RNIPGJKVSA-N 2 1 288.479 4.236 20 0 CIADMP CC[C@H](C)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000550700847 334227238 /nfs/dbraw/zinc/22/72/38/334227238.db2.gz PPKSZXQPNFMFPW-RNIPGJKVSA-N 2 1 288.479 4.236 20 0 CIADMP CC1=CC[C@H]([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000550940552 334234615 /nfs/dbraw/zinc/23/46/15/334234615.db2.gz REAWPUCAPNESII-IBGZPJMESA-N 2 1 286.463 4.115 20 0 CIADMP CC(C)C(C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000551804550 334262272 /nfs/dbraw/zinc/26/22/72/334262272.db2.gz ACOLOHZAZQFNGW-IAGOWNOFSA-N 2 1 294.527 4.157 20 0 CIADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000552245089 334307682 /nfs/dbraw/zinc/30/76/82/334307682.db2.gz QSTXOTYWNCXCPJ-BXWFABGCSA-N 2 1 288.479 4.018 20 0 CIADMP CC(C)Cc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000552245089 334307683 /nfs/dbraw/zinc/30/76/83/334307683.db2.gz QSTXOTYWNCXCPJ-BXWFABGCSA-N 2 1 288.479 4.018 20 0 CIADMP CCCc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000552561767 334335717 /nfs/dbraw/zinc/33/57/17/334335717.db2.gz BQINXAKRNODLRA-HOTGVXAUSA-N 2 1 299.462 4.131 20 0 CIADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000251077589 334356012 /nfs/dbraw/zinc/35/60/12/334356012.db2.gz KVXTTYCNOPMROU-IKGGRYGDSA-N 2 1 292.854 4.008 20 0 CIADMP CC(C)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000251724986 334368123 /nfs/dbraw/zinc/36/81/23/334368123.db2.gz CDSDQQOTTILAEU-COXVUDFISA-N 2 1 294.870 4.109 20 0 CIADMP CC(C)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000251724986 334368125 /nfs/dbraw/zinc/36/81/25/334368125.db2.gz CDSDQQOTTILAEU-COXVUDFISA-N 2 1 294.870 4.109 20 0 CIADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000251724992 334368223 /nfs/dbraw/zinc/36/82/23/334368223.db2.gz CDSDQQOTTILAEU-XYPHTWIQSA-N 2 1 294.870 4.109 20 0 CIADMP CC(C)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(Cl)cc1 ZINC000251724992 334368225 /nfs/dbraw/zinc/36/82/25/334368225.db2.gz CDSDQQOTTILAEU-XYPHTWIQSA-N 2 1 294.870 4.109 20 0 CIADMP CC1=CC[C@@H]([NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CC1 ZINC000567338478 334705362 /nfs/dbraw/zinc/70/53/62/334705362.db2.gz NVEPUJDHKCNKFS-PKOBYXMFSA-N 2 1 298.474 4.300 20 0 CIADMP CC[C@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000382129480 336082158 /nfs/dbraw/zinc/08/21/58/336082158.db2.gz OJFOXQUNPGGOQS-HOCLYGCPSA-N 2 1 280.481 4.053 20 0 CIADMP CC(C)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000130133654 519839932 /nfs/dbraw/zinc/83/99/32/519839932.db2.gz VZRGLFPZFNLHJE-KFKAGJAMSA-N 2 1 286.463 4.087 20 0 CIADMP CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000130240498 522721265 /nfs/dbraw/zinc/72/12/65/522721265.db2.gz KVXTTYCNOPMROU-ZACQAIPSSA-N 2 1 292.854 4.008 20 0 CIADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccc(Cl)cc1 ZINC000088163873 525299323 /nfs/dbraw/zinc/29/93/23/525299323.db2.gz SSYVNTBRKOGEES-RJCAOGMDSA-N 2 1 292.854 4.006 20 0 CIADMP C[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000088163873 525299329 /nfs/dbraw/zinc/29/93/29/525299329.db2.gz SSYVNTBRKOGEES-RJCAOGMDSA-N 2 1 292.854 4.006 20 0 CIADMP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(Cl)cc1 ZINC000157262370 525652024 /nfs/dbraw/zinc/65/20/24/525652024.db2.gz OUMIJFGDLNWFCK-ZTFRIQLXSA-N 2 1 286.806 4.135 20 0 CIADMP C[C@@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157479883 525652296 /nfs/dbraw/zinc/65/22/96/525652296.db2.gz OODRMDVRLLLMKO-SSKCKEOISA-N 2 1 286.806 4.135 20 0 CIADMP C[C@@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1cccc(Cl)c1 ZINC000157265164 525652612 /nfs/dbraw/zinc/65/26/12/525652612.db2.gz OODRMDVRLLLMKO-ZTFRIQLXSA-N 2 1 286.806 4.135 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000338015177 527422629 /nfs/dbraw/zinc/42/26/29/527422629.db2.gz AAIMJCQIIWEPPC-SFHVURJKSA-N 2 1 299.462 4.349 20 0 CIADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](CCC(C)C)c2ccoc2)C1 ZINC000353511418 528262119 /nfs/dbraw/zinc/26/21/19/528262119.db2.gz BKGZYHRUPVGCFU-AEFFLSMTSA-N 2 1 292.467 4.078 20 0 CIADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](CCC(C)C)c2ccoc2)C1 ZINC000353511418 528262123 /nfs/dbraw/zinc/26/21/23/528262123.db2.gz BKGZYHRUPVGCFU-AEFFLSMTSA-N 2 1 292.467 4.078 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(CC(C)C)c1 ZINC000353443824 228102701 /nfs/dbraw/zinc/10/27/01/228102701.db2.gz UBNLXCJQCDJRHS-INIZCTEOSA-N 2 1 299.462 4.131 20 0 CIADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]CC(C)(C)C)cc1 ZINC000518266390 260364168 /nfs/dbraw/zinc/36/41/68/260364168.db2.gz UYCHQDFOMIRTFN-INIZCTEOSA-N 2 1 288.479 4.197 20 0 CIADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000221913402 262323141 /nfs/dbraw/zinc/32/31/41/262323141.db2.gz LUBGUCKJTHPLQB-OAHLLOKOSA-N 2 1 288.435 4.122 20 0 CIADMP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000221913402 262323143 /nfs/dbraw/zinc/32/31/43/262323143.db2.gz LUBGUCKJTHPLQB-OAHLLOKOSA-N 2 1 288.435 4.122 20 0 CIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000187801617 263268717 /nfs/dbraw/zinc/26/87/17/263268717.db2.gz MEACLSHVGWRLTK-NLWGTHIKSA-N 2 1 298.474 4.014 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCC2(C)C)cc1 ZINC000342684022 263463429 /nfs/dbraw/zinc/46/34/29/263463429.db2.gz AJZKQQLHOOTIAA-DYVFJYSZSA-N 2 1 283.419 4.020 20 0 CIADMP CSc1ccc([C@@H](C)[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000157328592 264320758 /nfs/dbraw/zinc/32/07/58/264320758.db2.gz LINGKBRMKNBPNQ-UUWFMWQGSA-N 2 1 298.455 4.204 20 0 CIADMP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000531686010 328021590 /nfs/dbraw/zinc/02/15/90/328021590.db2.gz MYCUEOPAOYHUOK-CVEARBPZSA-N 2 1 276.468 4.051 20 0 CIADMP Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)c1 ZINC000531691550 328024745 /nfs/dbraw/zinc/02/47/45/328024745.db2.gz FCCFLLQTCWQUTH-QZTJIDSGSA-N 2 1 288.479 4.300 20 0 CIADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)C(C)C ZINC000531937332 328321975 /nfs/dbraw/zinc/32/19/75/328321975.db2.gz CNKPFFJYRILVPG-GOSISDBHSA-N 2 1 276.468 4.051 20 0 CIADMP CC(C)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303763887 328357988 /nfs/dbraw/zinc/35/79/88/328357988.db2.gz PFYHIKXEMVZYRF-HKUYNNGSSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303763887 328357989 /nfs/dbraw/zinc/35/79/89/328357989.db2.gz PFYHIKXEMVZYRF-HKUYNNGSSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303763887 328357990 /nfs/dbraw/zinc/35/79/90/328357990.db2.gz PFYHIKXEMVZYRF-HKUYNNGSSA-N 2 1 288.479 4.017 20 0 CIADMP CC(C)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303763887 328357991 /nfs/dbraw/zinc/35/79/91/328357991.db2.gz PFYHIKXEMVZYRF-HKUYNNGSSA-N 2 1 288.479 4.017 20 0 CIADMP CCCCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745900 328358002 /nfs/dbraw/zinc/35/80/02/328358002.db2.gz JYBWOAGWYCIYKD-HKUYNNGSSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745900 328358003 /nfs/dbraw/zinc/35/80/03/328358003.db2.gz JYBWOAGWYCIYKD-HKUYNNGSSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745900 328358004 /nfs/dbraw/zinc/35/80/04/328358004.db2.gz JYBWOAGWYCIYKD-HKUYNNGSSA-N 2 1 288.479 4.162 20 0 CIADMP CCCCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000303745900 328358005 /nfs/dbraw/zinc/35/80/05/328358005.db2.gz JYBWOAGWYCIYKD-HKUYNNGSSA-N 2 1 288.479 4.162 20 0 CIADMP CC(C)[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000262052940 327096971 /nfs/dbraw/zinc/09/69/71/327096971.db2.gz DANDNGKKQCJNLM-OTWHNJEPSA-N 2 1 298.405 4.257 20 0 CIADMP CC(C)[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(F)cc1 ZINC000262052937 327097078 /nfs/dbraw/zinc/09/70/78/327097078.db2.gz DANDNGKKQCJNLM-FHWLQOOXSA-N 2 1 298.405 4.257 20 0 CIADMP C[C@H]([NH+](C)CCCC[N@H+](C)[C@@H](C)C(C)(C)C)C(C)(C)C ZINC000558521994 327101236 /nfs/dbraw/zinc/10/12/36/327101236.db2.gz JLEOWQCMAMJQKR-HOTGVXAUSA-N 2 1 284.532 4.499 20 0 CIADMP CCCC[N@H+](CCCn1cc[nH+]c1C)[C@H](C)c1ccccc1 ZINC000536476064 327240723 /nfs/dbraw/zinc/24/07/23/327240723.db2.gz LVJZRNULMHAPCL-QGZVFWFLSA-N 2 1 299.462 4.445 20 0 CIADMP CCCC[N@@H+](CCCn1cc[nH+]c1C)[C@H](C)c1ccccc1 ZINC000536476064 327240724 /nfs/dbraw/zinc/24/07/24/327240724.db2.gz LVJZRNULMHAPCL-QGZVFWFLSA-N 2 1 299.462 4.445 20 0 CIADMP CCC(C)(C)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000583408399 327349392 /nfs/dbraw/zinc/34/93/92/327349392.db2.gz WARZNRGFNKJLLM-HOTGVXAUSA-N 2 1 280.500 4.055 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C(C)C)CC2)cc1 ZINC000358381630 328883291 /nfs/dbraw/zinc/88/32/91/328883291.db2.gz MODIHGAZXSTXEA-OAHLLOKOSA-N 2 1 297.446 4.268 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](C(C)(C)C)CC1 ZINC000509975003 332887147 /nfs/dbraw/zinc/88/71/47/332887147.db2.gz AAOONNBCBZCXKP-IAGOWNOFSA-N 2 1 291.483 4.166 20 0 CIADMP CC(C)CCC[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000527111583 330059911 /nfs/dbraw/zinc/05/99/11/330059911.db2.gz CDWLUBAQUYXYSQ-KRWDZBQOSA-N 2 1 288.479 4.238 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379637445 330144029 /nfs/dbraw/zinc/14/40/29/330144029.db2.gz YRTHQRKKJWYZJR-MJQMVNBJSA-N 2 1 288.479 4.064 20 0 CIADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379637445 330144030 /nfs/dbraw/zinc/14/40/30/330144030.db2.gz YRTHQRKKJWYZJR-MJQMVNBJSA-N 2 1 288.479 4.064 20 0 CIADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379628652 330144705 /nfs/dbraw/zinc/14/47/05/330144705.db2.gz NUWVCVGAQRIZJK-AEFFLSMTSA-N 2 1 288.479 4.065 20 0 CIADMP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379628652 330144706 /nfs/dbraw/zinc/14/47/06/330144706.db2.gz NUWVCVGAQRIZJK-AEFFLSMTSA-N 2 1 288.479 4.065 20 0 CIADMP Cc1ccccc1[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)C1CC1 ZINC000422715526 330151822 /nfs/dbraw/zinc/15/18/22/330151822.db2.gz SHFPPJZZXNOBBB-HSALFYBXSA-N 2 1 292.426 4.181 20 0 CIADMP CC(C)(C)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422778666 330154697 /nfs/dbraw/zinc/15/46/97/330154697.db2.gz HUXZDHMAUHNUFR-RTBURBONSA-N 2 1 294.442 4.219 20 0 CIADMP Cc1cccc(C)c1[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000423036056 330166635 /nfs/dbraw/zinc/16/66/35/330166635.db2.gz KQVYPEUAJPOKCA-BMGDILEWSA-N 2 1 280.415 4.099 20 0 CIADMP CC(C)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000423052869 330167415 /nfs/dbraw/zinc/16/74/15/330167415.db2.gz QSAAQTNHQNNJGN-OALUTQOASA-N 2 1 280.415 4.044 20 0 CIADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)c2ccccc21 ZINC000423082150 330168702 /nfs/dbraw/zinc/16/87/02/330168702.db2.gz WDXBTDBGWNJRTQ-WOJBJXKFSA-N 2 1 292.426 4.189 20 0 CIADMP Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1C[C@@H]([NH3+])c3ccccc31)CCC2 ZINC000423133713 330172075 /nfs/dbraw/zinc/17/20/75/330172075.db2.gz VZPDIVZEAQKTOA-AABGKKOBSA-N 2 1 292.426 4.107 20 0 CIADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(-c2ccccc2Cl)s1 ZINC000423320985 330190294 /nfs/dbraw/zinc/19/02/94/330190294.db2.gz HFPIJEMDXSEUJB-GHMZBOCLSA-N 2 1 294.851 4.066 20 0 CIADMP Cc1ccc(CCC[N@H+]2CCc3sccc3[C@@H]2C)cn1 ZINC000527509230 330254729 /nfs/dbraw/zinc/25/47/29/330254729.db2.gz AWGPGACKEPEVCW-AWEZNQCLSA-N 2 1 286.444 4.003 20 0 CIADMP Cc1ccccc1[C@@H](CC(C)C)[NH2+]CCCc1c[nH+]cn1C ZINC000572494457 330779964 /nfs/dbraw/zinc/77/99/64/330779964.db2.gz WPHXWJFVAQPFIC-LJQANCHMSA-N 2 1 299.462 4.038 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC12CCCCC2 ZINC000449163826 330902798 /nfs/dbraw/zinc/90/27/98/330902798.db2.gz NJGVNTAVZWBBGT-QGZVFWFLSA-N 2 1 289.467 4.064 20 0 CIADMP CCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000453076375 331086873 /nfs/dbraw/zinc/08/68/73/331086873.db2.gz HQFHKHOORXHNFT-BBRMVZONSA-N 2 1 292.492 4.151 20 0 CIADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(C2CC2)c1 ZINC000453397756 331128162 /nfs/dbraw/zinc/12/81/62/331128162.db2.gz JWAUBDKJHDDWFW-OAHLLOKOSA-N 2 1 286.463 4.089 20 0 CIADMP CCC[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccsc1 ZINC000453405882 331129301 /nfs/dbraw/zinc/12/93/01/331129301.db2.gz QRAORCCNZCIADL-MRXNPFEDSA-N 2 1 280.481 4.053 20 0 CIADMP CC[C@H](C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000462118282 331317700 /nfs/dbraw/zinc/31/77/00/331317700.db2.gz DQOLOXWSZNCQLM-GUYCJALGSA-N 2 1 294.870 4.111 20 0 CIADMP CC[C@@H]1CCC[C@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)C1 ZINC000462745878 331327046 /nfs/dbraw/zinc/32/70/46/331327046.db2.gz QRRFEDMIAAFWPA-APWZRJJASA-N 2 1 288.479 4.197 20 0 CIADMP c1cc(C2CCCC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000462783122 331328826 /nfs/dbraw/zinc/32/88/26/331328826.db2.gz IYZVRJCECUDNAN-UHFFFAOYSA-N 2 1 298.474 4.061 20 0 CIADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(F)c(Cl)c1 ZINC000484498770 331900406 /nfs/dbraw/zinc/90/04/06/331900406.db2.gz HXKUZBDVJMYMLH-UBHSHLNASA-N 2 1 298.833 4.003 20 0 CIADMP CC[C@@H](C)C[C@@H](C)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000088296854 333087921 /nfs/dbraw/zinc/08/79/21/333087921.db2.gz DYLKYSZIYHBRJE-IAGOWNOFSA-N 2 1 288.479 4.065 20 0 CIADMP Cc1cccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)c1C ZINC000517536508 333101497 /nfs/dbraw/zinc/10/14/97/333101497.db2.gz PAIYRXWXTGPOKD-QGZVFWFLSA-N 2 1 288.479 4.048 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222556278 333197035 /nfs/dbraw/zinc/19/70/35/333197035.db2.gz ZZWFFGPPUZBVBG-SNRMKQJTSA-N 2 1 288.479 4.236 20 0 CIADMP CCC(CC)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000222556278 333197036 /nfs/dbraw/zinc/19/70/36/333197036.db2.gz ZZWFFGPPUZBVBG-SNRMKQJTSA-N 2 1 288.479 4.236 20 0 CIADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccs2)C2CCCC2)CC[N@@H+]1C ZINC000227404258 333282326 /nfs/dbraw/zinc/28/23/26/333282326.db2.gz AUMGZHWFJNAXMJ-KMFMINBZSA-N 2 1 292.492 4.052 20 0 CIADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2cccs2)C2CCCC2)CC[N@H+]1C ZINC000227404258 333282327 /nfs/dbraw/zinc/28/23/27/333282327.db2.gz AUMGZHWFJNAXMJ-KMFMINBZSA-N 2 1 292.492 4.052 20 0 CIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000250052851 333301882 /nfs/dbraw/zinc/30/18/82/333301882.db2.gz MEACLSHVGWRLTK-WSTZPKSXSA-N 2 1 298.474 4.014 20 0 CIADMP C[C@@H]([NH2+]CC1([NH2+][C@@H](C)c2ccccc2)CCCC1)C1CC1 ZINC000237421639 333379480 /nfs/dbraw/zinc/37/94/80/333379480.db2.gz BPYJGLANVIXCQV-CVEARBPZSA-N 2 1 286.463 4.038 20 0 CIADMP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000125147518 333564191 /nfs/dbraw/zinc/56/41/91/333564191.db2.gz VFGYZERRSUMSJJ-LPHOPBHVSA-N 2 1 288.479 4.236 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1CCC(C)C ZINC000539069784 333654942 /nfs/dbraw/zinc/65/49/42/333654942.db2.gz XUYUDIGLYYJHPB-KBAYOESNSA-N 2 1 291.483 4.022 20 0 CIADMP c1ccc2c(c1)CCC[C@@H]2[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246963424 334272842 /nfs/dbraw/zinc/27/28/42/334272842.db2.gz GHUCHLCGHUWOCM-QUCCMNQESA-N 2 1 298.474 4.014 20 0 CIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCC23CCCC3)C1 ZINC000550623147 334225694 /nfs/dbraw/zinc/22/56/94/334225694.db2.gz SUXVVLYSWRVVOP-MSOLQXFVSA-N 2 1 292.511 4.201 20 0 CIADMP CC[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000247218110 334277689 /nfs/dbraw/zinc/27/76/89/334277689.db2.gz XMYGYLLNNASREV-RTBURBONSA-N 2 1 286.463 4.088 20 0 CIADMP C1C[C@H]2C[C@H]([NH2+]C3CCC4(CCCCC4)CC3)CC[N@H+]2C1 ZINC000248889420 334320888 /nfs/dbraw/zinc/32/08/88/334320888.db2.gz YMMDGHJLLUXYTI-MSOLQXFVSA-N 2 1 290.495 4.096 20 0 CIADMP C[N@@H+]1CCC[C@@H](C[NH2+]CCC(C)(C)C)[C@@H]1c1cccs1 ZINC000249500242 334334984 /nfs/dbraw/zinc/33/49/84/334334984.db2.gz HOGLPQWZHXAFAV-GOEBONIOSA-N 2 1 294.508 4.157 20 0 CIADMP C[N@H+]1CCC[C@@H](C[NH2+]CCC(C)(C)C)[C@@H]1c1cccs1 ZINC000249500242 334334985 /nfs/dbraw/zinc/33/49/85/334334985.db2.gz HOGLPQWZHXAFAV-GOEBONIOSA-N 2 1 294.508 4.157 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)c2ccoc2)cc1 ZINC000166700901 334915958 /nfs/dbraw/zinc/91/59/58/334915958.db2.gz GMXMEAIPMJMRQM-ZIAGYGMSSA-N 2 1 295.386 4.186 20 0 CIADMP Cc1ccncc1CCC[N@H+](C)Cc1cccc(Cl)c1 ZINC000576503909 335212105 /nfs/dbraw/zinc/21/21/05/335212105.db2.gz NEEZHYGLYLYGAT-UHFFFAOYSA-N 2 1 288.822 4.108 20 0 CIADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(Cl)cc1 ZINC000036979238 522813770 /nfs/dbraw/zinc/81/37/70/522813770.db2.gz AZIYFQGIBJSUIX-NPYXIHBLSA-N 2 1 292.854 4.006 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C2CCC2)cc1 ZINC000339278119 527405045 /nfs/dbraw/zinc/40/50/45/527405045.db2.gz GNFQOXSTTYWMJC-UHFFFAOYSA-N 2 1 297.446 4.029 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)c1cccc(C)c1 ZINC000191482195 528865159 /nfs/dbraw/zinc/86/51/59/528865159.db2.gz BOXRNSXJCJVDCX-QGZVFWFLSA-N 2 1 299.462 4.227 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)c1cccc(C)c1 ZINC000191482195 528865161 /nfs/dbraw/zinc/86/51/61/528865161.db2.gz BOXRNSXJCJVDCX-QGZVFWFLSA-N 2 1 299.462 4.227 20 0 CIADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCC23CC3)CC1 ZINC000573625632 334953386 /nfs/dbraw/zinc/95/33/86/334953386.db2.gz PLKXJVJNKIIFBQ-APWZRJJASA-N 2 1 298.474 4.134 20 0 CIADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(Cl)c2)CC1 ZINC000020190037 171056599 /nfs/dbraw/zinc/05/65/99/171056599.db2.gz KZFDGVCDVGMGAS-GFCCVEGCSA-N 2 1 298.833 4.004 20 0 CIADMP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1Cl ZINC000021793675 171324678 /nfs/dbraw/zinc/32/46/78/171324678.db2.gz DOYHMBJZQZOQAD-GFCCVEGCSA-N 2 1 294.870 4.300 20 0 CIADMP Cc1ccc([C@H](C)N[C@H](C)c2ccc(-n3ccnc3)cc2)o1 ZINC000192735743 227282266 /nfs/dbraw/zinc/28/22/66/227282266.db2.gz DJNTVYFZYYGZBR-CABCVRRESA-N 2 1 295.386 4.186 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(CC(C)C)c1 ZINC000353443830 228103047 /nfs/dbraw/zinc/10/30/47/228103047.db2.gz UBNLXCJQCDJRHS-MRXNPFEDSA-N 2 1 299.462 4.131 20 0 CIADMP Cc1ccc(CCC[N@@H+](Cc2ccccc2F)C2CC2)cn1 ZINC000353381094 228093281 /nfs/dbraw/zinc/09/32/81/228093281.db2.gz LQSRZQGFNAIIQR-UHFFFAOYSA-N 2 1 298.405 4.126 20 0 CIADMP Cc1ccc(CCC[N@H+](C)[C@H](C)c2ccccc2)cn1 ZINC000353388311 228094161 /nfs/dbraw/zinc/09/41/61/228094161.db2.gz ZBXHOFLJJAIJQS-MRXNPFEDSA-N 2 1 268.404 4.016 20 0 CIADMP CC[C@@H](C)[N@@H+](CCCCn1ccnc1C)Cc1ccccc1 ZINC000179400021 260046673 /nfs/dbraw/zinc/04/66/73/260046673.db2.gz UQBHWIVUVOVGOV-QGZVFWFLSA-N 2 1 299.462 4.272 20 0 CIADMP CC[C@@H](C)[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000179400021 260046674 /nfs/dbraw/zinc/04/66/74/260046674.db2.gz UQBHWIVUVOVGOV-QGZVFWFLSA-N 2 1 299.462 4.272 20 0 CIADMP CC[C@@H](C)[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000179400021 260046675 /nfs/dbraw/zinc/04/66/75/260046675.db2.gz UQBHWIVUVOVGOV-QGZVFWFLSA-N 2 1 299.462 4.272 20 0 CIADMP CC(C)(C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000086956907 262347218 /nfs/dbraw/zinc/34/72/18/262347218.db2.gz HGXRNKOPQPRKQQ-HOTGVXAUSA-N 2 1 292.511 4.198 20 0 CIADMP C[C@@H]([NH2+]C1(C[NH2+][C@H](C)C2CC2)CCCC1)c1ccccc1 ZINC000237421673 262630668 /nfs/dbraw/zinc/63/06/68/262630668.db2.gz BPYJGLANVIXCQV-HZPDHXFCSA-N 2 1 286.463 4.038 20 0 CIADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3C[C@H]3C3CCCCC3)CC[NH2+]2)cc1 ZINC000415109983 263272926 /nfs/dbraw/zinc/27/29/26/263272926.db2.gz PTFXGHSKFDYKMV-FUMNGEBKSA-N 2 1 298.474 4.038 20 0 CIADMP CCC[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccsc1 ZINC000187768641 328302123 /nfs/dbraw/zinc/30/21/23/328302123.db2.gz QFFSOKSQJQOOEE-INIZCTEOSA-N 2 1 294.508 4.442 20 0 CIADMP Cc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000531937090 328321920 /nfs/dbraw/zinc/32/19/20/328321920.db2.gz YOOSOCCDWCSCIH-QZTJIDSGSA-N 2 1 288.479 4.158 20 0 CIADMP Cc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c1 ZINC000531937089 328321983 /nfs/dbraw/zinc/32/19/83/328321983.db2.gz YOOSOCCDWCSCIH-MSOLQXFVSA-N 2 1 288.479 4.158 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](C)C(C)C)cc1 ZINC000531979054 328372075 /nfs/dbraw/zinc/37/20/75/328372075.db2.gz ARSDLOIPEXFJQS-LSDHHAIUSA-N 2 1 285.435 4.123 20 0 CIADMP C[C@@H]([NH+](C)CCCC[N@H+](C)[C@H](C)C(C)(C)C)C(C)(C)C ZINC000558521995 327101182 /nfs/dbraw/zinc/10/11/82/327101182.db2.gz JLEOWQCMAMJQKR-HZPDHXFCSA-N 2 1 284.532 4.499 20 0 CIADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000215091258 327214951 /nfs/dbraw/zinc/21/49/51/327214951.db2.gz MPBWYXLFXSOZFP-LBPRGKRZSA-N 2 1 298.833 4.003 20 0 CIADMP CC[C@@H]([NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)C(C)C ZINC000537971491 327241259 /nfs/dbraw/zinc/24/12/59/327241259.db2.gz STVOEBPEFNCJBC-GOSISDBHSA-N 2 1 276.468 4.051 20 0 CIADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CC=C(C)CC2)CC1 ZINC000560469805 327311920 /nfs/dbraw/zinc/31/19/20/327311920.db2.gz NZXGXPATQUIKIY-LJQANCHMSA-N 2 1 298.474 4.048 20 0 CIADMP Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1Cl ZINC000193733845 329061555 /nfs/dbraw/zinc/06/15/55/329061555.db2.gz XGYYRGVJXYXZEY-UHFFFAOYSA-N 2 1 294.870 4.001 20 0 CIADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CC(C)(C)C)c1ccccc1 ZINC000583701341 329093142 /nfs/dbraw/zinc/09/31/42/329093142.db2.gz LAKFOICUMMNBDE-SFHVURJKSA-N 2 1 299.462 4.120 20 0 CIADMP CC(C)CCC[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000527111584 330059881 /nfs/dbraw/zinc/05/98/81/330059881.db2.gz CDWLUBAQUYXYSQ-QGZVFWFLSA-N 2 1 288.479 4.238 20 0 CIADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000379628655 330144666 /nfs/dbraw/zinc/14/46/66/330144666.db2.gz NUWVCVGAQRIZJK-SJLPKXTDSA-N 2 1 288.479 4.065 20 0 CIADMP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000379628655 330144667 /nfs/dbraw/zinc/14/46/67/330144667.db2.gz NUWVCVGAQRIZJK-SJLPKXTDSA-N 2 1 288.479 4.065 20 0 CIADMP Cc1ccccc1[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)C1CC1 ZINC000422715527 330151783 /nfs/dbraw/zinc/15/17/83/330151783.db2.gz SHFPPJZZXNOBBB-SLFFLAALSA-N 2 1 292.426 4.181 20 0 CIADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2cccc3Cl)c2ccccc21 ZINC000422939229 330161578 /nfs/dbraw/zinc/16/15/78/330161578.db2.gz RCDBXRVFSSUXBW-KZNAEPCWSA-N 2 1 298.817 4.062 20 0 CIADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCc3c2cccc3Cl)c2ccccc21 ZINC000422939339 330161742 /nfs/dbraw/zinc/16/17/42/330161742.db2.gz RCDBXRVFSSUXBW-SQNIBIBYSA-N 2 1 298.817 4.062 20 0 CIADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCc3cc(Cl)ccc32)c2ccccc21 ZINC000422951235 330163970 /nfs/dbraw/zinc/16/39/70/330163970.db2.gz ZYOHUHFPBAJCSG-KURKYZTESA-N 2 1 298.817 4.062 20 0 CIADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1cccc(C2CC2)c1 ZINC000423142703 330172636 /nfs/dbraw/zinc/17/26/36/330172636.db2.gz BGOXKKRVVJWPGR-CJMONDIMSA-N 2 1 292.426 4.359 20 0 CIADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1Cl ZINC000423243166 330182009 /nfs/dbraw/zinc/18/20/09/330182009.db2.gz ZGCNMODZXCVNPU-YUMQZZPRSA-N 2 1 295.641 4.035 20 0 CIADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](CC(C)C)c1ccccc1 ZINC000527519943 330256433 /nfs/dbraw/zinc/25/64/33/330256433.db2.gz WDQFWPOBOJYTPR-LJQANCHMSA-N 2 1 299.462 4.001 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC23CC3)cc1 ZINC000527873608 330290973 /nfs/dbraw/zinc/29/09/73/330290973.db2.gz WBNXHCCQHOYTLN-SUNYJGFJSA-N 2 1 295.430 4.020 20 0 CIADMP CC[C@H](C)c1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1 ZINC000527901231 330293500 /nfs/dbraw/zinc/29/35/00/330293500.db2.gz OVOORXHVTICEOM-GRDNDAEWSA-N 2 1 297.446 4.131 20 0 CIADMP CCC(C)(C)C1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000106868868 330341412 /nfs/dbraw/zinc/34/14/12/330341412.db2.gz VAMGYFCPEQSFED-OPQOLIRYSA-N 2 1 292.511 4.198 20 0 CIADMP CC(C)[C@H](C)[NH+](C)CCCCC[N@H+](C)[C@@H](C)C(C)C ZINC000533247177 330355191 /nfs/dbraw/zinc/35/51/91/330355191.db2.gz YMPPVPJDPKQKAT-IRXDYDNUSA-N 2 1 270.505 4.109 20 0 CIADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000212751495 330367253 /nfs/dbraw/zinc/36/72/53/330367253.db2.gz DSMGUOCQKCSZBG-GFCCVEGCSA-N 2 1 298.833 4.004 20 0 CIADMP Cc1ccccc1[C@H](CC(C)C)[NH2+]CCCc1c[nH+]cn1C ZINC000572494456 330779989 /nfs/dbraw/zinc/77/99/89/330779989.db2.gz WPHXWJFVAQPFIC-IBGZPJMESA-N 2 1 299.462 4.038 20 0 CIADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000447562047 330870002 /nfs/dbraw/zinc/87/00/02/330870002.db2.gz KKYYOMHQPCSUMF-PMACEKPBSA-N 2 1 298.474 4.087 20 0 CIADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000447562049 330870009 /nfs/dbraw/zinc/87/00/09/330870009.db2.gz KKYYOMHQPCSUMF-UXHICEINSA-N 2 1 298.474 4.087 20 0 CIADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000447562051 330870077 /nfs/dbraw/zinc/87/00/77/330870077.db2.gz KKYYOMHQPCSUMF-VQTJNVASSA-N 2 1 298.474 4.087 20 0 CIADMP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)c2ccccc21 ZINC000453404155 331129020 /nfs/dbraw/zinc/12/90/20/331129020.db2.gz PDAZTHZAKVDRGK-DNVCBOLYSA-N 2 1 286.463 4.089 20 0 CIADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc2ccccc21 ZINC000453405711 331129275 /nfs/dbraw/zinc/12/92/75/331129275.db2.gz CCTXGEMZRYACQR-INIZCTEOSA-N 2 1 296.458 4.365 20 0 CIADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2ccccc2c1 ZINC000453422350 331130754 /nfs/dbraw/zinc/13/07/54/331130754.db2.gz LTQNOGLORDOHER-MRXNPFEDSA-N 2 1 296.458 4.365 20 0 CIADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000459483529 331284326 /nfs/dbraw/zinc/28/43/26/331284326.db2.gz BZXKTRXYLPTZHW-HXUWFJFHSA-N 2 1 298.474 4.014 20 0 CIADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)cc1 ZINC000459783171 331300793 /nfs/dbraw/zinc/30/07/93/331300793.db2.gz ZJOFBQXDVVEFDF-VLDUQVBPSA-N 2 1 295.430 4.020 20 0 CIADMP CC[C@@H]1CCC[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)C1 ZINC000462691802 331325229 /nfs/dbraw/zinc/32/52/29/331325229.db2.gz ZKWKFLPVCRPYGM-KZNAEPCWSA-N 2 1 280.500 4.057 20 0 CIADMP C[NH+]1CCC([NH2+][C@@H](CCC2CCCC2)C(C)(C)C)CC1 ZINC000554734283 334449654 /nfs/dbraw/zinc/44/96/54/334449654.db2.gz IPDMMAOWFMWQCS-KRWDZBQOSA-N 2 1 280.500 4.055 20 0 CIADMP CCCC[C@H](CC)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309677263 333046918 /nfs/dbraw/zinc/04/69/18/333046918.db2.gz XNFIPYWMJKAFFR-OALUTQOASA-N 2 1 288.479 4.067 20 0 CIADMP C[NH+](CCCC[N@H+](C)CC1CCCC1)CC1CCCC1 ZINC000572521713 333115257 /nfs/dbraw/zinc/11/52/57/333115257.db2.gz NPDYEKWJYLOSCZ-UHFFFAOYSA-N 2 1 280.500 4.011 20 0 CIADMP CCCCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000224107053 333216874 /nfs/dbraw/zinc/21/68/74/333216874.db2.gz NOYOPTSKXFZMEH-TXPKVOOTSA-N 2 1 288.479 4.163 20 0 CIADMP CCCCc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000224107053 333216876 /nfs/dbraw/zinc/21/68/76/333216876.db2.gz NOYOPTSKXFZMEH-TXPKVOOTSA-N 2 1 288.479 4.163 20 0 CIADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC000226312814 333256352 /nfs/dbraw/zinc/25/63/52/333256352.db2.gz XRSQNWYDGNQVOC-INIZCTEOSA-N 2 1 284.447 4.221 20 0 CIADMP CSc1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000227537281 333285319 /nfs/dbraw/zinc/28/53/19/333285319.db2.gz LINGKBRMKNBPNQ-RZAIGCCYSA-N 2 1 298.455 4.204 20 0 CIADMP [NH3+][C@H]1C[C@@H]([NH2+][C@H]2CCc3cc(Cl)ccc32)c2ccccc21 ZINC000530225473 333529027 /nfs/dbraw/zinc/52/90/27/333529027.db2.gz ZYOHUHFPBAJCSG-OKZBNKHCSA-N 2 1 298.817 4.062 20 0 CIADMP Cc1[nH+]ccn1CCCC[NH+](CC(C)(C)C)CC(C)(C)C ZINC000538219718 333579846 /nfs/dbraw/zinc/57/98/46/333579846.db2.gz UBXCKODTPJRPEA-UHFFFAOYSA-N 2 1 293.499 4.366 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1 ZINC000540178203 333718242 /nfs/dbraw/zinc/71/82/42/333718242.db2.gz UVUPBKIXLRSEKT-HZPDHXFCSA-N 2 1 299.462 4.302 20 0 CIADMP CCC(CC)[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000546606805 334039893 /nfs/dbraw/zinc/03/98/93/334039893.db2.gz GYNZIQBMLJCAOW-WMZOPIPTSA-N 2 1 288.479 4.065 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(C(C)(C)C)CC1 ZINC000237513557 334090214 /nfs/dbraw/zinc/09/02/14/334090214.db2.gz YUMLCZUYQSKVIA-ODIFPOPNSA-N 2 1 291.483 4.022 20 0 CIADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000245441034 334193852 /nfs/dbraw/zinc/19/38/52/334193852.db2.gz GYVWBESWELYPHR-IAGOWNOFSA-N 2 1 296.458 4.174 20 0 CIADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H](C)c2ccc3ccccc3c2)C1 ZINC000245441034 334193854 /nfs/dbraw/zinc/19/38/54/334193854.db2.gz GYVWBESWELYPHR-IAGOWNOFSA-N 2 1 296.458 4.174 20 0 CIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C(C2CCC2)C2CCC2)C1 ZINC000549526083 334196182 /nfs/dbraw/zinc/19/61/82/334196182.db2.gz IFHDDMDKKJVBTL-MRXNPFEDSA-N 2 1 292.511 4.057 20 0 CIADMP C[C@@H]1CC[C@@H]([NH+](C)CCCC[N@H+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000549919995 334208650 /nfs/dbraw/zinc/20/86/50/334208650.db2.gz MQCZCGFPBYSLON-TVFCKZIOSA-N 2 1 280.500 4.007 20 0 CIADMP C[C@@H]1CC[C@@H]([N@@H+](C)CCCC[NH+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000549919995 334208651 /nfs/dbraw/zinc/20/86/51/334208651.db2.gz MQCZCGFPBYSLON-TVFCKZIOSA-N 2 1 280.500 4.007 20 0 CIADMP C[C@@H]1CC[C@@H]([N@H+](C)CCCC[NH+](C)[C@H]2CC[C@@H](C)C2)C1 ZINC000549919995 334208652 /nfs/dbraw/zinc/20/86/52/334208652.db2.gz MQCZCGFPBYSLON-TVFCKZIOSA-N 2 1 280.500 4.007 20 0 CIADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000550587770 334224682 /nfs/dbraw/zinc/22/46/82/334224682.db2.gz DEGGYPUIHLDAEL-UHOSZYNNSA-N 2 1 288.479 4.236 20 0 CIADMP CC(C)CC[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000550587770 334224683 /nfs/dbraw/zinc/22/46/83/334224683.db2.gz DEGGYPUIHLDAEL-UHOSZYNNSA-N 2 1 288.479 4.236 20 0 CIADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)c1cccs1 ZINC000247147503 334276563 /nfs/dbraw/zinc/27/65/63/334276563.db2.gz STJINCHJFHQRAO-HUUCEWRRSA-N 2 1 280.481 4.053 20 0 CIADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCC23CCCC3)C1 ZINC000550623148 334225740 /nfs/dbraw/zinc/22/57/40/334225740.db2.gz SUXVVLYSWRVVOP-QZTJIDSGSA-N 2 1 292.511 4.201 20 0 CIADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1)c1cccs1 ZINC000090585212 334364293 /nfs/dbraw/zinc/36/42/93/334364293.db2.gz CSEDRMSEVWGWDZ-JKSUJKDBSA-N 2 1 294.508 4.157 20 0 CIADMP CC(C)(C)C1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000252729898 334387617 /nfs/dbraw/zinc/38/76/17/334387617.db2.gz IUDHIJFGSJNLFH-HIEASXQVSA-N 2 1 292.511 4.055 20 0 CIADMP CCC[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)c1ccccn1 ZINC000159280504 334860372 /nfs/dbraw/zinc/86/03/72/334860372.db2.gz ZQWOHWXPTKPWEH-QGZVFWFLSA-N 2 1 291.483 4.021 20 0 CIADMP CC[C@@H]([NH2+]CCC[N@H+]1CCCC[C@@H]1C)c1ccsc1 ZINC000382129479 336082147 /nfs/dbraw/zinc/08/21/47/336082147.db2.gz OJFOXQUNPGGOQS-GOEBONIOSA-N 2 1 280.481 4.053 20 0 CIADMP CC(C)CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c1ccoc1 ZINC000353449711 519691845 /nfs/dbraw/zinc/69/18/45/519691845.db2.gz RPAACMUVTSJAFC-KRWDZBQOSA-N 2 1 280.456 4.077 20 0 CIADMP CC(C)CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c1ccoc1 ZINC000353449711 519691847 /nfs/dbraw/zinc/69/18/47/519691847.db2.gz RPAACMUVTSJAFC-KRWDZBQOSA-N 2 1 280.456 4.077 20 0 CIADMP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(C)cc1 ZINC000157337113 522726581 /nfs/dbraw/zinc/72/65/81/522726581.db2.gz FGYOJYWVOQYHGZ-GBESFXJTSA-N 2 1 280.415 4.181 20 0 CIADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(C2CC2)c1 ZINC000340231195 527447462 /nfs/dbraw/zinc/44/74/62/527447462.db2.gz LYYPHJXRQIABQM-HUUCEWRRSA-N 2 1 297.446 4.056 20 0 CIADMP CC/C=C/CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000343631299 528771986 /nfs/dbraw/zinc/77/19/86/528771986.db2.gz YTXPZAVLMDLBPU-NFAHFFEMSA-N 2 1 283.419 4.188 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000191482178 528866521 /nfs/dbraw/zinc/86/65/21/528866521.db2.gz BOXRNSXJCJVDCX-KRWDZBQOSA-N 2 1 299.462 4.227 20 0 CIADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)c1cccc(C)c1 ZINC000191482178 528866524 /nfs/dbraw/zinc/86/65/24/528866524.db2.gz BOXRNSXJCJVDCX-KRWDZBQOSA-N 2 1 299.462 4.227 20 0 CIADMP