smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[N@@H+]1CCC[C@H]1Cn1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072480970 191180682 /nfs/dbraw/zinc/18/06/82/191180682.db2.gz AIJNNZYRUJHNJQ-AWEZNQCLSA-N 1 3 314.437 1.724 50 0 DDAAHO CC[N@H+]1CCC[C@H]1Cn1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072480970 191180685 /nfs/dbraw/zinc/18/06/85/191180685.db2.gz AIJNNZYRUJHNJQ-AWEZNQCLSA-N 1 3 314.437 1.724 50 0 DDAAHO C[C@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C[NH+]1CCCC1 ZINC000101385736 407309442 /nfs/dbraw/zinc/30/94/42/407309442.db2.gz UCCIGPJBAHWHOJ-HZPDHXFCSA-N 1 3 306.454 1.374 50 0 DDAAHO CC[NH+]1CCN(c2ccc(C(=O)N3CCNC[C@H]3C)cc2)CC1 ZINC000124857141 407371699 /nfs/dbraw/zinc/37/16/99/407371699.db2.gz VDVRPDWNBICBRL-OAHLLOKOSA-N 1 3 316.449 1.262 50 0 DDAAHO Cc1ccc(CN(CCN(C)C)C(=O)C[C@@H]2CC[NH2+]C2)s1 ZINC000215435440 407485258 /nfs/dbraw/zinc/48/52/58/407485258.db2.gz NNUFYNKEQRDSGK-AWEZNQCLSA-N 1 3 309.479 1.946 50 0 DDAAHO Cc1cnn([C@H](C)[C@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000229570740 407664737 /nfs/dbraw/zinc/66/47/37/407664737.db2.gz CIVVDJLPHPVMGK-GVDBMIGSSA-N 1 3 308.470 1.823 50 0 DDAAHO Cc1ccc(N2CCC(N[C@@H]3CC[NH2+]C[C@H]3O)CC2)cc1Cl ZINC000426596620 419514110 /nfs/dbraw/zinc/51/41/10/419514110.db2.gz PHBNFGREOGJXOU-IAGOWNOFSA-N 1 3 323.868 1.930 50 0 DDAAHO C[C@H](C(=O)NC1CCCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178980286 298143283 /nfs/dbraw/zinc/14/32/83/298143283.db2.gz DPVZJMYAIKCLSM-OAHLLOKOSA-N 1 3 322.497 1.051 50 0 DDAAHO CC1(C)CCCN[C@@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000333391533 535296523 /nfs/dbraw/zinc/29/65/23/535296523.db2.gz OXESSTCXHPIOMB-IXDOHACOSA-N 1 3 315.461 1.966 50 0 DDAAHO C[C@@H]1CCCCN1C1CN(c2ncnc3c2CC[NH2+]CC3)C1 ZINC000072418348 191156668 /nfs/dbraw/zinc/15/66/68/191156668.db2.gz BSCZYPVCDVOVFM-CYBMUJFWSA-N 1 3 301.438 1.228 50 0 DDAAHO Cc1ncc2c(c1CNC(=O)[C@H]1CC13CC[NH2+]CC3)CCNC2 ZINC000072478023 191180227 /nfs/dbraw/zinc/18/02/27/191180227.db2.gz SDKLIFTUWBZFHG-MRXNPFEDSA-N 1 3 314.433 1.042 50 0 DDAAHO CC[C@H]1CCCCN1CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000584889673 354792674 /nfs/dbraw/zinc/79/26/74/354792674.db2.gz UVPANOUVCZTXBW-HNNXBMFYSA-N 1 3 311.470 1.166 50 0 DDAAHO C[NH+](C)CCCNC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000020100526 182186930 /nfs/dbraw/zinc/18/69/30/182186930.db2.gz KNSSQUHHXSVLNY-UHFFFAOYSA-N 1 3 303.450 1.967 50 0 DDAAHO O=C(NCCN1CCCC1)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000216459722 407494695 /nfs/dbraw/zinc/49/46/95/407494695.db2.gz WLZRWLLLUKFEJZ-QGZVFWFLSA-N 1 3 301.434 1.979 50 0 DDAAHO CCCC[C@H]([NH3+])C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000195554269 354296903 /nfs/dbraw/zinc/29/69/03/354296903.db2.gz ODHVPDSZISEVSY-HOTGVXAUSA-N 1 3 310.486 1.132 50 0 DDAAHO C[C@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000237426220 202262850 /nfs/dbraw/zinc/26/28/50/202262850.db2.gz HLIFBWOZVIGDIG-GJZGRUSLSA-N 1 3 319.449 1.826 50 0 DDAAHO CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014753679 406877516 /nfs/dbraw/zinc/87/75/16/406877516.db2.gz VTZLBJOWNBDVDJ-UHFFFAOYSA-N 1 3 324.469 1.323 50 0 DDAAHO CC(C)c1nn(C)cc1C[NH2+]CCCN1CCC(C(N)=O)CC1 ZINC000071809779 406844792 /nfs/dbraw/zinc/84/47/92/406844792.db2.gz IGBLEEFRSCVRKN-UHFFFAOYSA-N 1 3 321.469 1.221 50 0 DDAAHO C[C@@H]1C[C@H](Nc2cc(C(N)=O)ccc2CN(C)C)C[N@@H+]1C1CC1 ZINC000097034041 407276259 /nfs/dbraw/zinc/27/62/59/407276259.db2.gz BOCJQDLNPGIMHA-DOMZBBRYSA-N 1 3 316.449 1.884 50 0 DDAAHO C[C@@H]1C[C@H](Nc2cc(C(N)=O)ccc2CN(C)C)C[N@H+]1C1CC1 ZINC000097034041 407276260 /nfs/dbraw/zinc/27/62/60/407276260.db2.gz BOCJQDLNPGIMHA-DOMZBBRYSA-N 1 3 316.449 1.884 50 0 DDAAHO O=C(C[C@@H]1CNCCO1)NCC1([NH+]2CCCCC2)CCCC1 ZINC000534590848 334294432 /nfs/dbraw/zinc/29/44/32/334294432.db2.gz ONULGIQKXCCKPX-OAHLLOKOSA-N 1 3 309.454 1.280 50 0 DDAAHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCNC1=O ZINC000092821605 185343905 /nfs/dbraw/zinc/34/39/05/185343905.db2.gz PHWLKNCIMVYSOQ-INIZCTEOSA-N 1 3 302.422 1.508 50 0 DDAAHO c1cn(CCC[NH+]2CCCC2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072479301 191179625 /nfs/dbraw/zinc/17/96/25/191179625.db2.gz RWSKVFXNBDGCGC-UHFFFAOYSA-N 1 3 314.437 1.726 50 0 DDAAHO CCN(CC)C[C@@H](O)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000058078776 184073381 /nfs/dbraw/zinc/07/33/81/184073381.db2.gz KREUHZLWRFCVJP-IBGZPJMESA-N 1 3 319.493 1.943 50 0 DDAAHO Cc1nc(NCCN2CCC[C@H](O)C2)cc(C2CC[NH2+]CC2)n1 ZINC000067847545 407287134 /nfs/dbraw/zinc/28/71/34/407287134.db2.gz QVEGCGBGYIBMQE-HNNXBMFYSA-N 1 3 319.453 1.121 50 0 DDAAHO CN(Cc1cnc2ccccc2n1)C(=O)[C@@H](N)CCCC[NH3+] ZINC000252508675 408801858 /nfs/dbraw/zinc/80/18/58/408801858.db2.gz XQROVDZJKOSAEA-ZDUSSCGKSA-N 1 3 301.394 1.045 50 0 DDAAHO C[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000237290738 202217853 /nfs/dbraw/zinc/21/78/53/202217853.db2.gz KLBSZRXXZVAEJC-OAHLLOKOSA-N 1 3 318.421 1.011 50 0 DDAAHO CC[NH+]1CCC(NC(=O)CN[C@H](C)[C@@H](C)n2cccn2)CC1 ZINC000069813343 406775671 /nfs/dbraw/zinc/77/56/71/406775671.db2.gz LGJGXECJLUCRIM-ZIAGYGMSSA-N 1 3 307.442 1.023 50 0 DDAAHO Cc1noc(C)c1CN1CC[C@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000067787228 407284439 /nfs/dbraw/zinc/28/44/39/407284439.db2.gz XBRUDCOAMLLIPQ-CYBMUJFWSA-N 1 3 306.410 1.111 50 0 DDAAHO CN1CCC2(CCCN2C(=O)N[C@H](CC[NH3+])C(F)(F)F)CC1 ZINC000331683340 409765892 /nfs/dbraw/zinc/76/58/92/409765892.db2.gz ROIJPUOJVHQCFW-LLVKDONJSA-N 1 3 322.375 1.536 50 0 DDAAHO COCC[N@@H+]1CC[C@@H](CN(C)C2CSCCSC2)C1 ZINC000670454626 484841930 /nfs/dbraw/zinc/84/19/30/484841930.db2.gz KQOUBYQYKMKFIT-ZDUSSCGKSA-N 1 3 304.525 1.735 50 0 DDAAHO COCC[N@H+]1CC[C@@H](CN(C)C2CSCCSC2)C1 ZINC000670454626 484841931 /nfs/dbraw/zinc/84/19/31/484841931.db2.gz KQOUBYQYKMKFIT-ZDUSSCGKSA-N 1 3 304.525 1.735 50 0 DDAAHO CN1CCC(O)(C(=O)N[C@H](C[NH+]2CCCC2)C(C)(C)C)CC1 ZINC000823759651 758349425 /nfs/dbraw/zinc/34/94/25/758349425.db2.gz ZUVLYHSUNMFDBY-CQSZACIVSA-N 1 3 311.470 1.070 50 0 DDAAHO O[C@@H](COc1cccc(CN2CCC2)c1)C[NH+]1CCC(O)CC1 ZINC000095497395 185374480 /nfs/dbraw/zinc/37/44/80/185374480.db2.gz RSGHNGCGYIEMCB-QGZVFWFLSA-N 1 3 320.433 1.089 50 0 DDAAHO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cc3n(n1)CCCNC3)C2 ZINC000072138829 191048286 /nfs/dbraw/zinc/04/82/86/191048286.db2.gz YFPVYUOIDVMNTQ-KRWDZBQOSA-N 1 3 303.454 1.294 50 0 DDAAHO C[N@H+]1CC[C@]2(C1)CCCN(Cc1cc3n(n1)CCCNC3)C2 ZINC000072138829 191048289 /nfs/dbraw/zinc/04/82/89/191048289.db2.gz YFPVYUOIDVMNTQ-KRWDZBQOSA-N 1 3 303.454 1.294 50 0 DDAAHO O=C(C[C@@H]1CNCCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163853368 186140472 /nfs/dbraw/zinc/14/04/72/186140472.db2.gz RAMWIQTYCPZZDN-QGZVFWFLSA-N 1 3 317.433 1.277 50 0 DDAAHO CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000195554263 354296856 /nfs/dbraw/zinc/29/68/56/354296856.db2.gz ODHVPDSZISEVSY-HZPDHXFCSA-N 1 3 310.486 1.132 50 0 DDAAHO CC[NH+](CC)CCSCC(=O)NCCN1CCC(C)CC1 ZINC000076060987 191564372 /nfs/dbraw/zinc/56/43/72/191564372.db2.gz RRUQQDYNYLIZJF-UHFFFAOYSA-N 1 3 315.527 1.910 50 0 DDAAHO Cc1ccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)o1 ZINC000091708078 193094652 /nfs/dbraw/zinc/09/46/52/193094652.db2.gz BKPQIHHTKAADSB-IAGOWNOFSA-N 1 3 321.465 1.266 50 0 DDAAHO Cc1ccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)o1 ZINC000091708078 193094654 /nfs/dbraw/zinc/09/46/54/193094654.db2.gz BKPQIHHTKAADSB-IAGOWNOFSA-N 1 3 321.465 1.266 50 0 DDAAHO CCc1ccc(CN2CCC3(CC2)[C@H](O)C[C@@H]3OCC[NH3+])cc1 ZINC000092107779 193160699 /nfs/dbraw/zinc/16/06/99/193160699.db2.gz NBEMESUNXGMGOP-MSOLQXFVSA-N 1 3 318.461 1.940 50 0 DDAAHO [NH3+]C[C@H]1CN(Cc2ccc(CN3CCCCC3)s2)CCO1 ZINC000067833909 407286104 /nfs/dbraw/zinc/28/61/04/407286104.db2.gz RDYAILWQJUMTJT-AWEZNQCLSA-N 1 3 309.479 1.894 50 0 DDAAHO CC[C@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)N(C)CC ZINC000822544828 758221593 /nfs/dbraw/zinc/22/15/93/758221593.db2.gz GOLCKMPKPHSHCT-OAHLLOKOSA-N 1 3 313.511 1.757 50 0 DDAAHO CCNC(=O)CC[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000065605615 184371444 /nfs/dbraw/zinc/37/14/44/184371444.db2.gz GQJMORUKUBVPOR-GJZGRUSLSA-N 1 3 311.470 1.334 50 0 DDAAHO CSC[C@H](C)[NH+]1CCC(CCC(=O)NCCN(C)C)CC1 ZINC000012196885 406838899 /nfs/dbraw/zinc/83/88/99/406838899.db2.gz DOUMKORXDQWLFY-AWEZNQCLSA-N 1 3 315.527 1.908 50 0 DDAAHO CN(C)CCNC(=O)CCC1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000012575388 406848162 /nfs/dbraw/zinc/84/81/62/406848162.db2.gz VBKGRVSVVHHROK-OAHLLOKOSA-N 1 3 313.511 1.662 50 0 DDAAHO C[C@@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)C[NH+]1CCCC1 ZINC000101385717 407309403 /nfs/dbraw/zinc/30/94/03/407309403.db2.gz UCCIGPJBAHWHOJ-HOTGVXAUSA-N 1 3 306.454 1.374 50 0 DDAAHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237560160 407829873 /nfs/dbraw/zinc/82/98/73/407829873.db2.gz AXSZTKLWLYAVCG-GOEBONIOSA-N 1 3 301.434 1.989 50 0 DDAAHO C[C@H]1C[C@H](N(C)C(=O)C2(N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000237560160 407829880 /nfs/dbraw/zinc/82/98/80/407829880.db2.gz AXSZTKLWLYAVCG-GOEBONIOSA-N 1 3 301.434 1.989 50 0 DDAAHO [NH3+]CCC(=O)NCC[C@@H]1CN(C2CCCCCCC2)CCO1 ZINC000071278645 406836189 /nfs/dbraw/zinc/83/61/89/406836189.db2.gz SWTTYFDFOZUXMK-MRXNPFEDSA-N 1 3 311.470 1.655 50 0 DDAAHO O[C@]1(CN2CCCN(CCCc3ccccc3)CC2)CC[NH2+]C1 ZINC000107123987 407369802 /nfs/dbraw/zinc/36/98/02/407369802.db2.gz SIVWHCUBGGWWQT-LJQANCHMSA-N 1 3 317.477 1.351 50 0 DDAAHO O=C(C[C@@H]1C[NH2+]CCO1)NC1CCN(Cc2cccs2)CC1 ZINC000216280770 407493880 /nfs/dbraw/zinc/49/38/80/407493880.db2.gz BVVGDQOGVLVDFY-CQSZACIVSA-N 1 3 323.462 1.207 50 0 DDAAHO O=C(NCCc1ccccc1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000082096682 192355181 /nfs/dbraw/zinc/35/51/81/192355181.db2.gz BSSAYCLLWIDTBQ-KRWDZBQOSA-N 1 3 315.461 1.809 50 0 DDAAHO O=C(NCCc1ccccc1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000082096682 192355182 /nfs/dbraw/zinc/35/51/82/192355182.db2.gz BSSAYCLLWIDTBQ-KRWDZBQOSA-N 1 3 315.461 1.809 50 0 DDAAHO O=C(NCCc1ccccc1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000082096682 192355184 /nfs/dbraw/zinc/35/51/84/192355184.db2.gz BSSAYCLLWIDTBQ-KRWDZBQOSA-N 1 3 315.461 1.809 50 0 DDAAHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@](C)(N)C2CC2)CC1 ZINC000237607184 202302926 /nfs/dbraw/zinc/30/29/26/202302926.db2.gz YLYJPPMTEIWCSK-DAYGRLMNSA-N 1 3 322.497 1.131 50 0 DDAAHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@](C)(N)C2CC2)CC1 ZINC000237607184 202302931 /nfs/dbraw/zinc/30/29/31/202302931.db2.gz YLYJPPMTEIWCSK-DAYGRLMNSA-N 1 3 322.497 1.131 50 0 DDAAHO C[C@@H](N)C(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269276492 408250200 /nfs/dbraw/zinc/25/02/00/408250200.db2.gz XLQUFWXWDGZVQP-DLTWYDFYSA-N 1 3 303.450 1.949 50 0 DDAAHO C[C@@H](N)C(=O)N(C)[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269276492 408250203 /nfs/dbraw/zinc/25/02/03/408250203.db2.gz XLQUFWXWDGZVQP-DLTWYDFYSA-N 1 3 303.450 1.949 50 0 DDAAHO CC1(C)CCCN[C@H]1C(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000333391532 410520112 /nfs/dbraw/zinc/52/01/12/410520112.db2.gz OXESSTCXHPIOMB-IKGGRYGDSA-N 1 3 315.461 1.966 50 0 DDAAHO [NH3+]CCc1ccc(CN2CCC3(CC2)OCCC[C@H]3O)cc1 ZINC000215860828 201473567 /nfs/dbraw/zinc/47/35/67/201473567.db2.gz VUTINTFKBYOKRP-QGZVFWFLSA-N 1 3 304.434 1.694 50 0 DDAAHO Cc1ncc2c(c1-c1noc(C3CCN(C)CC3)n1)CC[NH2+]C2 ZINC000020166535 182194051 /nfs/dbraw/zinc/19/40/51/182194051.db2.gz JPTBWQXOHVPJCC-UHFFFAOYSA-N 1 3 313.405 1.895 50 0 DDAAHO CCN1CCCC[C@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000078498273 407030510 /nfs/dbraw/zinc/03/05/10/407030510.db2.gz PQVFLLBCQXDIHW-INIZCTEOSA-N 1 3 302.422 1.605 50 0 DDAAHO C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ccncc2)CC1 ZINC000095378676 407210927 /nfs/dbraw/zinc/21/09/27/407210927.db2.gz DGARNVXGEGSYST-MRXNPFEDSA-N 1 3 316.449 1.995 50 0 DDAAHO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCN(c2ccncc2)CC1 ZINC000095378676 407210930 /nfs/dbraw/zinc/21/09/30/407210930.db2.gz DGARNVXGEGSYST-MRXNPFEDSA-N 1 3 316.449 1.995 50 0 DDAAHO Cc1ncc(CO)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1[O-] ZINC000067472959 407275300 /nfs/dbraw/zinc/27/53/00/407275300.db2.gz KBGXJQFPALDNEW-UHFFFAOYSA-N 1 3 305.422 1.506 50 0 DDAAHO Cc1ncc(CO)c(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1[O-] ZINC000067472959 407275302 /nfs/dbraw/zinc/27/53/02/407275302.db2.gz KBGXJQFPALDNEW-UHFFFAOYSA-N 1 3 305.422 1.506 50 0 DDAAHO C[NH+](C)Cc1cccc(C(=O)NCCN2CCCC[C@@H]2CO)c1 ZINC000097674092 407300984 /nfs/dbraw/zinc/30/09/84/407300984.db2.gz IYYISURFLLHPNG-QGZVFWFLSA-N 1 3 319.449 1.325 50 0 DDAAHO C[C@@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1CN(C)C ZINC000426399397 419457700 /nfs/dbraw/zinc/45/77/00/419457700.db2.gz KWWIJMZVDLTGER-AWEZNQCLSA-N 1 3 306.454 1.840 50 0 DDAAHO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cc3n(n1)CCCNC3)C2 ZINC000072138828 191047391 /nfs/dbraw/zinc/04/73/91/191047391.db2.gz YFPVYUOIDVMNTQ-QGZVFWFLSA-N 1 3 303.454 1.294 50 0 DDAAHO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cc3n(n1)CCCNC3)C2 ZINC000072138828 191047394 /nfs/dbraw/zinc/04/73/94/191047394.db2.gz YFPVYUOIDVMNTQ-QGZVFWFLSA-N 1 3 303.454 1.294 50 0 DDAAHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167773851 354250572 /nfs/dbraw/zinc/25/05/72/354250572.db2.gz FOVNEYBQTHCBNV-HOTGVXAUSA-N 1 3 309.454 1.232 50 0 DDAAHO CC[NH+](CC)CCNC(=O)C1CCN(Cc2ccccn2)CC1 ZINC000022241632 182315210 /nfs/dbraw/zinc/31/52/10/182315210.db2.gz XMQLQILXFZUYTC-UHFFFAOYSA-N 1 3 318.465 1.752 50 0 DDAAHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)C1 ZINC000107358473 418498804 /nfs/dbraw/zinc/49/88/04/418498804.db2.gz ZZNOGZMAMCUGBT-ULQDDVLXSA-N 1 3 324.513 1.948 50 0 DDAAHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2C[C@@H](C)C[C@H](C)C2)C1 ZINC000107358473 418498806 /nfs/dbraw/zinc/49/88/06/418498806.db2.gz ZZNOGZMAMCUGBT-ULQDDVLXSA-N 1 3 324.513 1.948 50 0 DDAAHO CCN1CCC[C@H]1CNC(=O)c1cc(C2CC[NH2+]CC2)ccn1 ZINC000534658884 334314949 /nfs/dbraw/zinc/31/49/49/334314949.db2.gz AGFAOFZITHNIPW-INIZCTEOSA-N 1 3 316.449 1.763 50 0 DDAAHO C[N@@H+]1CC[C@@H](C(=O)NCCN2CCC(c3ccccc3)CC2)C1 ZINC000097480281 407298713 /nfs/dbraw/zinc/29/87/13/407298713.db2.gz YWOSWCFBQBDIKE-GOSISDBHSA-N 1 3 315.461 1.934 50 0 DDAAHO C[N@H+]1CC[C@@H](C(=O)NCCN2CCC(c3ccccc3)CC2)C1 ZINC000097480281 407298714 /nfs/dbraw/zinc/29/87/14/407298714.db2.gz YWOSWCFBQBDIKE-GOSISDBHSA-N 1 3 315.461 1.934 50 0 DDAAHO C[NH2+]CC(=O)N[C@@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000165036102 408808312 /nfs/dbraw/zinc/80/83/12/408808312.db2.gz HVOWLMZHGNLMOX-INIZCTEOSA-N 1 3 303.450 1.795 50 0 DDAAHO O=C(NCCC1CCN(c2ccncc2)CC1)[C@H]1CCC[NH2+]1 ZINC000170070837 490680728 /nfs/dbraw/zinc/68/07/28/490680728.db2.gz VBJLJGVTOPPSFI-MRXNPFEDSA-N 1 3 302.422 1.556 50 0 DDAAHO COCCNCc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000012703252 696051608 /nfs/dbraw/zinc/05/16/08/696051608.db2.gz YNURPUSSBGYQCA-KRWDZBQOSA-N 1 3 322.449 1.648 50 0 DDAAHO COc1cccc(CN2CCC[C@@](O)(C[NH+](C)C)CC2)c1OC ZINC000072174266 191070944 /nfs/dbraw/zinc/07/09/44/191070944.db2.gz ILDIXOJFIITVPV-SFHVURJKSA-N 1 3 322.449 1.982 50 0 DDAAHO COC1(c2ccccc2)CC[NH+](C[C@]2(O)CCCNC2)CC1 ZINC000072422855 191157836 /nfs/dbraw/zinc/15/78/36/191157836.db2.gz IUPHRYVUMVILRE-KRWDZBQOSA-N 1 3 304.434 1.739 50 0 DDAAHO Cc1ccnc(CNC(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072425039 191160409 /nfs/dbraw/zinc/16/04/09/191160409.db2.gz IPKRHSCBVITLHN-OAHLLOKOSA-N 1 3 302.422 1.080 50 0 DDAAHO CCn1c(=O)n(CCN2CCCCCC2)nc1[C@H]1CCC[NH2+]C1 ZINC000067909405 407290322 /nfs/dbraw/zinc/29/03/22/407290322.db2.gz CHYNATSPDYHTGG-HNNXBMFYSA-N 1 3 321.469 1.408 50 0 DDAAHO COc1ccc(F)cc1CN(C)CC1CC[NH+](CCO)CC1 ZINC000069738504 406763994 /nfs/dbraw/zinc/76/39/94/406763994.db2.gz APERNJAFDYVAJH-UHFFFAOYSA-N 1 3 310.413 1.970 50 0 DDAAHO COCCN(Cc1cnn(C)c1)CC1CC[NH+](C(C)C)CC1 ZINC000055414852 407203202 /nfs/dbraw/zinc/20/32/02/407203202.db2.gz PUEWORJTYRFOBC-UHFFFAOYSA-N 1 3 308.470 1.989 50 0 DDAAHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@](C)(N)C2CC2)CC1 ZINC000299740326 229374419 /nfs/dbraw/zinc/37/44/19/229374419.db2.gz YLYJPPMTEIWCSK-IIDMSEBBSA-N 1 3 322.497 1.131 50 0 DDAAHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000299738454 296993382 /nfs/dbraw/zinc/99/33/82/296993382.db2.gz AXXXGMYQHFWVOR-MUIFIZLQSA-N 1 3 323.481 1.462 50 0 DDAAHO c1ccc(CN2C[C@H]3CC[C@@H]2CN(C[C@H]2[C@@H]4C[NH2+]C[C@H]24)C3)nc1 ZINC000101865273 407316366 /nfs/dbraw/zinc/31/63/66/407316366.db2.gz DKBUTDVQDZGWTO-IKLKHMQRSA-N 1 3 312.461 1.443 50 0 DDAAHO CC[NH+]1CCN(c2ccc(C(=O)N3CCNC[C@@H]3C)cc2)CC1 ZINC000125971779 407402239 /nfs/dbraw/zinc/40/22/39/407402239.db2.gz VDVRPDWNBICBRL-HNNXBMFYSA-N 1 3 316.449 1.262 50 0 DDAAHO O[C@@H]1C[NH2+]CC[C@H]1NC1CCN(c2ccc(Cl)cc2)CC1 ZINC000426550030 419504853 /nfs/dbraw/zinc/50/48/53/419504853.db2.gz NTFUYCJWTVKPIS-HZPDHXFCSA-N 1 3 309.841 1.621 50 0 DDAAHO CN1CCC(NC(=O)c2cccnc2OC2CC[NH2+]CC2)CC1 ZINC000169751883 697344116 /nfs/dbraw/zinc/34/41/16/697344116.db2.gz GBKMWKPCLKARAA-UHFFFAOYSA-N 1 3 318.421 1.036 50 0 DDAAHO C[NH+](C)C1(CNC(=O)[C@@H](N)Cc2ccc(O)cc2)CCCCC1 ZINC000322663134 698736076 /nfs/dbraw/zinc/73/60/76/698736076.db2.gz CASWWIUGHAFMNY-INIZCTEOSA-N 1 3 319.449 1.643 50 0 DDAAHO CCNC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000065605612 184371576 /nfs/dbraw/zinc/37/15/76/184371576.db2.gz GQJMORUKUBVPOR-HUUCEWRRSA-N 1 3 311.470 1.334 50 0 DDAAHO CC1CCN(CCN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)CC1 ZINC000219817374 257273785 /nfs/dbraw/zinc/27/37/85/257273785.db2.gz GGPFHZXOHQXHDJ-UHFFFAOYSA-N 1 3 318.469 1.432 50 0 DDAAHO N[C@H]1c2ccccc2C[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC000095380843 407212602 /nfs/dbraw/zinc/21/26/02/407212602.db2.gz GGHMJYVDLNUKIH-WMZOPIPTSA-N 1 3 301.434 1.993 50 0 DDAAHO Cc1cc(CC(C)C)nc(N2CC[C@H]([NH2+]C3CCNCC3)C2)n1 ZINC000426434874 419468790 /nfs/dbraw/zinc/46/87/90/419468790.db2.gz QSXLZQJMAYAIGT-INIZCTEOSA-N 1 3 317.481 1.904 50 0 DDAAHO Cc1cc(C)n2ncc(CNCCNc3cc[nH+]cc3C)c2n1 ZINC000952969862 721529427 /nfs/dbraw/zinc/52/94/27/721529427.db2.gz PCQQVNMCMWMPSR-UHFFFAOYSA-N 1 3 310.405 1.673 50 0 DDAAHO O=C(NCCc1ccccc1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000082096681 192355077 /nfs/dbraw/zinc/35/50/77/192355077.db2.gz BSSAYCLLWIDTBQ-QGZVFWFLSA-N 1 3 315.461 1.809 50 0 DDAAHO O=C(NCCc1ccccc1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000082096681 192355079 /nfs/dbraw/zinc/35/50/79/192355079.db2.gz BSSAYCLLWIDTBQ-QGZVFWFLSA-N 1 3 315.461 1.809 50 0 DDAAHO O=C(NCCc1ccccc1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000082096681 192355081 /nfs/dbraw/zinc/35/50/81/192355081.db2.gz BSSAYCLLWIDTBQ-QGZVFWFLSA-N 1 3 315.461 1.809 50 0 DDAAHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1(C)C ZINC000262822771 407948594 /nfs/dbraw/zinc/94/85/94/407948594.db2.gz YSDSBESULOPBAH-CKEIUWERSA-N 1 3 305.422 1.335 50 0 DDAAHO CCN1CCC([NH+]2CCC(n3cc(C(C)(C)N)nn3)CC2)CC1 ZINC000048212302 418466841 /nfs/dbraw/zinc/46/68/41/418466841.db2.gz HEIGAXMCMBNKEB-UHFFFAOYSA-N 1 3 320.485 1.593 50 0 DDAAHO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000585120860 422307286 /nfs/dbraw/zinc/30/72/86/422307286.db2.gz QSARNKZVFQFLLV-SJORKVTESA-N 1 3 317.433 1.592 50 0 DDAAHO CCn1c(C2CC[NH2+]CC2)nn(C[C@H]2CCCCN2C)c1=O ZINC000065420253 184341115 /nfs/dbraw/zinc/34/11/15/184341115.db2.gz URTMHOBZUPUMHU-CQSZACIVSA-N 1 3 307.442 1.016 50 0 DDAAHO c1cc(-c2nc3c(c(NC4CC[NH2+]CC4)n2)CCNC3)ccn1 ZINC000067676950 407279766 /nfs/dbraw/zinc/27/97/66/407279766.db2.gz QHHRNRXSWKZHSE-UHFFFAOYSA-N 1 3 310.405 1.348 50 0 DDAAHO COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000245549963 408011767 /nfs/dbraw/zinc/01/17/67/408011767.db2.gz ZVCKFULLBVSRCW-IPMKNSEASA-N 1 3 318.461 1.980 50 0 DDAAHO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000245549963 408011768 /nfs/dbraw/zinc/01/17/68/408011768.db2.gz ZVCKFULLBVSRCW-IPMKNSEASA-N 1 3 318.461 1.980 50 0 DDAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccon1)CC[NH+](C)CC2 ZINC000072419021 696393547 /nfs/dbraw/zinc/39/35/47/696393547.db2.gz KJVQUJRVAFSJBP-HNNXBMFYSA-N 1 3 320.437 1.487 50 0 DDAAHO COCCNCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000237159554 285074621 /nfs/dbraw/zinc/07/46/21/285074621.db2.gz OZWGNPNIAFUYNH-JKSUJKDBSA-N 1 3 311.470 1.335 50 0 DDAAHO COCCNCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000237159554 285074622 /nfs/dbraw/zinc/07/46/22/285074622.db2.gz OZWGNPNIAFUYNH-JKSUJKDBSA-N 1 3 311.470 1.335 50 0 DDAAHO Cc1nc(NCCN2CCC(O)CC2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067688754 407280320 /nfs/dbraw/zinc/28/03/20/407280320.db2.gz YFUUKEVPJVXBBC-AWEZNQCLSA-N 1 3 319.453 1.121 50 0 DDAAHO Cc1nccn1CCC[NH+]1CCN(c2cc(C)nc(N)n2)CC1 ZINC000244774091 407938777 /nfs/dbraw/zinc/93/87/77/407938777.db2.gz PNTRZFVUHYRXGF-UHFFFAOYSA-N 1 3 315.425 1.084 50 0 DDAAHO O=C(C[C@H]1CNCCO1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000534586727 334292152 /nfs/dbraw/zinc/29/21/52/334292152.db2.gz JQQNHHKLSGRABM-INIZCTEOSA-N 1 3 309.454 1.232 50 0 DDAAHO O=C(C[C@H]1CNCCO1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000534586727 334292154 /nfs/dbraw/zinc/29/21/54/334292154.db2.gz JQQNHHKLSGRABM-INIZCTEOSA-N 1 3 309.454 1.232 50 0 DDAAHO c1cc(CN2CC[NH2+]CC2)cc(OCCN2CCCCC2)c1 ZINC000223202995 407564095 /nfs/dbraw/zinc/56/40/95/407564095.db2.gz VTEAMZFOZPEPRY-UHFFFAOYSA-N 1 3 303.450 1.957 50 0 DDAAHO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](O)CN2CCCCC2)o1 ZINC000097160063 407283947 /nfs/dbraw/zinc/28/39/47/407283947.db2.gz AXHKKCHQLDXYMR-OAHLLOKOSA-N 1 3 318.421 1.915 50 0 DDAAHO CCN1CCC[C@@H](C[N@@H+]2CCCN(c3ncccn3)CC2)C1 ZINC000215691759 407488174 /nfs/dbraw/zinc/48/81/74/407488174.db2.gz PKINFLDWQVFYTJ-MRXNPFEDSA-N 1 3 303.454 1.721 50 0 DDAAHO CCN1CCC[C@@H](C[N@H+]2CCCN(c3ncccn3)CC2)C1 ZINC000215691759 407488177 /nfs/dbraw/zinc/48/81/77/407488177.db2.gz PKINFLDWQVFYTJ-MRXNPFEDSA-N 1 3 303.454 1.721 50 0 DDAAHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237527413 407825909 /nfs/dbraw/zinc/82/59/09/407825909.db2.gz AXSZTKLWLYAVCG-HOCLYGCPSA-N 1 3 301.434 1.989 50 0 DDAAHO C[C@H]1C[C@@H](N(C)C(=O)C2(N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000237527413 407825915 /nfs/dbraw/zinc/82/59/15/407825915.db2.gz AXSZTKLWLYAVCG-HOCLYGCPSA-N 1 3 301.434 1.989 50 0 DDAAHO C[C@@H]1C[C@H]([NH2+]Cc2cnc(Br)n2C)CCN1C ZINC000585118699 771951853 /nfs/dbraw/zinc/95/18/53/771951853.db2.gz YXQUMXGKJFQMGI-NXEZZACHSA-N 1 3 301.232 1.755 50 0 DDAAHO C(CN1CCOCC1)[NH2+]C1CCN(CC2CCCCC2)CC1 ZINC000195579103 354298541 /nfs/dbraw/zinc/29/85/41/354298541.db2.gz MSSOEYLUDOQKBC-UHFFFAOYSA-N 1 3 309.498 1.953 50 0 DDAAHO COc1cc(C[NH2+]C[C@@H]2CCCN(C)C2)cc2c1OCCO2 ZINC000068722563 406658449 /nfs/dbraw/zinc/65/84/49/406658449.db2.gz SUEVHPTUQRTDAX-ZDUSSCGKSA-N 1 3 306.406 1.898 50 0 DDAAHO C[C@@H]1CNCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000125290443 407384176 /nfs/dbraw/zinc/38/41/76/407384176.db2.gz CTTZLWTUTSQGIK-ZBFHGGJFSA-N 1 3 319.424 1.858 50 0 DDAAHO C[C@@H]1CNCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000125290443 407384177 /nfs/dbraw/zinc/38/41/77/407384177.db2.gz CTTZLWTUTSQGIK-ZBFHGGJFSA-N 1 3 319.424 1.858 50 0 DDAAHO C[NH+]1CCC(C)(CNCc2ccc(S(N)(=O)=O)s2)CC1 ZINC000585118694 422307870 /nfs/dbraw/zinc/30/78/70/422307870.db2.gz YNZDAGTZIGMMSQ-UHFFFAOYSA-N 1 3 317.480 1.217 50 0 DDAAHO O=C(CN1CCCCCC1)NCCC[N@H+]1CCCC[C@H]1CO ZINC000584903088 354801716 /nfs/dbraw/zinc/80/17/16/354801716.db2.gz ZMYOIRMMUSNIKH-INIZCTEOSA-N 1 3 311.470 1.216 50 0 DDAAHO O=C(CN1CCCCCC1)NCCC[N@@H+]1CCCC[C@H]1CO ZINC000584903088 354801718 /nfs/dbraw/zinc/80/17/18/354801718.db2.gz ZMYOIRMMUSNIKH-INIZCTEOSA-N 1 3 311.470 1.216 50 0 DDAAHO C[N@H+](CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000072274064 406877279 /nfs/dbraw/zinc/87/72/79/406877279.db2.gz PFNLCJYZYJYSNF-CVEARBPZSA-N 1 3 324.469 1.023 50 0 DDAAHO C[N@@H+](CCNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000072274064 406877281 /nfs/dbraw/zinc/87/72/81/406877281.db2.gz PFNLCJYZYJYSNF-CVEARBPZSA-N 1 3 324.469 1.023 50 0 DDAAHO CN(C)Cc1csc(CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097173016 407284561 /nfs/dbraw/zinc/28/45/61/407284561.db2.gz ZPLDPBCANSTTJT-HNNXBMFYSA-N 1 3 308.495 1.289 50 0 DDAAHO O=C(C[C@@H]1CNCCO1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000534586728 334292235 /nfs/dbraw/zinc/29/22/35/334292235.db2.gz JQQNHHKLSGRABM-MRXNPFEDSA-N 1 3 309.454 1.232 50 0 DDAAHO O=C(C[C@@H]1CNCCO1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000534586728 334292236 /nfs/dbraw/zinc/29/22/36/334292236.db2.gz JQQNHHKLSGRABM-MRXNPFEDSA-N 1 3 309.454 1.232 50 0 DDAAHO CN1CCCCC[C@@H]1C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000952869499 775601291 /nfs/dbraw/zinc/60/12/91/775601291.db2.gz MJBGVFKMQQEQLI-MRXNPFEDSA-N 1 3 311.470 1.478 50 0 DDAAHO CCN(CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CC1 ZINC000096439883 279198607 /nfs/dbraw/zinc/19/86/07/279198607.db2.gz HXRVUOLFNPYPHL-VHRNVKJDSA-N 1 3 308.470 1.785 50 0 DDAAHO CCN(CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CC1 ZINC000096439883 279198609 /nfs/dbraw/zinc/19/86/09/279198609.db2.gz HXRVUOLFNPYPHL-VHRNVKJDSA-N 1 3 308.470 1.785 50 0 DDAAHO CCC[C@@H]1CN(Cc2ccc(CC[NH3+])cc2)C[C@H]1NC(C)=O ZINC000082097533 192354724 /nfs/dbraw/zinc/35/47/24/192354724.db2.gz ILNWBTPRMLLUPF-QZTJIDSGSA-N 1 3 303.450 1.924 50 0 DDAAHO c1ccc(CN2CC[C@H](Nc3ncnc4c3CC[NH2+]CC4)C2)cc1 ZINC000072424922 191159444 /nfs/dbraw/zinc/15/94/44/191159444.db2.gz RXVODOSSSACWSG-INIZCTEOSA-N 1 3 323.444 1.851 50 0 DDAAHO CCN1CCN(C[C@@H]2C[N@H+](Cc3ccc(C)o3)C[C@@H]2CO)CC1 ZINC000091915313 193126049 /nfs/dbraw/zinc/12/60/49/193126049.db2.gz MDEAZQSZASRWSW-IAGOWNOFSA-N 1 3 321.465 1.266 50 0 DDAAHO CCN1CCN(C[C@@H]2C[N@@H+](Cc3ccc(C)o3)C[C@@H]2CO)CC1 ZINC000091915313 193126051 /nfs/dbraw/zinc/12/60/51/193126051.db2.gz MDEAZQSZASRWSW-IAGOWNOFSA-N 1 3 321.465 1.266 50 0 DDAAHO CC(=O)NCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC000119604778 195000317 /nfs/dbraw/zinc/00/03/17/195000317.db2.gz ZSFRRKZHEZIXGS-OKZBNKHCSA-N 1 3 301.434 1.623 50 0 DDAAHO CC(=O)NCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000119604778 195000319 /nfs/dbraw/zinc/00/03/19/195000319.db2.gz ZSFRRKZHEZIXGS-OKZBNKHCSA-N 1 3 301.434 1.623 50 0 DDAAHO CC(=O)NCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000119604778 195000321 /nfs/dbraw/zinc/00/03/21/195000321.db2.gz ZSFRRKZHEZIXGS-OKZBNKHCSA-N 1 3 301.434 1.623 50 0 DDAAHO CN(C)C(=O)C[NH2+]CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000069597900 406740440 /nfs/dbraw/zinc/74/04/40/406740440.db2.gz SRATZCJDDDLCQE-KRWDZBQOSA-N 1 3 319.449 1.110 50 0 DDAAHO OCC[NH+]1CCC2(CCN(Cc3ccsc3)C[C@@H]2CO)CC1 ZINC000097294615 407290868 /nfs/dbraw/zinc/29/08/68/407290868.db2.gz SMWDKGQPRGDCQJ-MRXNPFEDSA-N 1 3 324.490 1.637 50 0 DDAAHO C[NH+](C)CCc1ccc(NC(=O)[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000585120857 422306619 /nfs/dbraw/zinc/30/66/19/422306619.db2.gz QSARNKZVFQFLLV-DLBZAZTESA-N 1 3 317.433 1.592 50 0 DDAAHO NC(=[NH2+])NCc1ccccc1CN1CCN(c2ccccc2)CC1 ZINC000069656129 190803327 /nfs/dbraw/zinc/80/33/27/190803327.db2.gz AEXLPDPIPQWVDX-UHFFFAOYSA-N 1 3 323.444 1.992 50 0 DDAAHO O[C@]1(C[NH2+]CCc2ccccc2OC(F)(F)F)CCCNC1 ZINC000072408935 191154448 /nfs/dbraw/zinc/15/44/48/191154448.db2.gz NUAWDIQICLXIEB-CQSZACIVSA-N 1 3 318.339 1.832 50 0 DDAAHO Cc1cc(C)cc(CN2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c1 ZINC000092002482 193139823 /nfs/dbraw/zinc/13/98/23/193139823.db2.gz UIMVCQNBKCVTTE-QZTJIDSGSA-N 1 3 306.450 1.268 50 0 DDAAHO Cc1cc(C)cc(CN2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c1 ZINC000092002482 193139824 /nfs/dbraw/zinc/13/98/24/193139824.db2.gz UIMVCQNBKCVTTE-QZTJIDSGSA-N 1 3 306.450 1.268 50 0 DDAAHO CN(C)CCN(CC[NH+](C)C)C(=O)Nc1ccc(N(C)C)nc1 ZINC000095946254 407216272 /nfs/dbraw/zinc/21/62/72/407216272.db2.gz YVPJRLGNGYDHRT-UHFFFAOYSA-N 1 3 322.457 1.105 50 0 DDAAHO O=C1CC[C@H]([NH+]2CCC3(CC2)CNCCO3)CCN1CC1CC1 ZINC000426705899 419534106 /nfs/dbraw/zinc/53/41/06/419534106.db2.gz VCKMTXURTSIVMT-INIZCTEOSA-N 1 3 321.465 1.232 50 0 DDAAHO CCO[C@H]1CN(C)C[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000670451082 484837320 /nfs/dbraw/zinc/83/73/20/484837320.db2.gz DURCYXMRUKIYPV-OALUTQOASA-N 1 3 317.477 1.960 50 0 DDAAHO Cc1cccc([C@H](CNC(=O)NC2CC[NH2+]CC2)N(C)C)c1 ZINC000828015611 759450417 /nfs/dbraw/zinc/45/04/17/759450417.db2.gz CBVKICGGBWTEJC-INIZCTEOSA-N 1 3 304.438 1.649 50 0 DDAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3c(C)noc3C)CC[C@H]21 ZINC000072418762 191157490 /nfs/dbraw/zinc/15/74/90/191157490.db2.gz CUJFYNISPMZKIU-GOEBONIOSA-N 1 3 320.437 1.324 50 0 DDAAHO CSCc1nc(CC[NH2+]C[C@@]2(O)CCCNC2)cs1 ZINC000072424744 191160038 /nfs/dbraw/zinc/16/00/38/191160038.db2.gz IYENZFUCBVORNI-CYBMUJFWSA-N 1 3 301.481 1.253 50 0 DDAAHO CCN1CCN([C@H](C)C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000071819584 406846813 /nfs/dbraw/zinc/84/68/13/406846813.db2.gz VAVGUOBQHZUUBK-CQSZACIVSA-N 1 3 307.486 1.823 50 0 DDAAHO NC(=O)c1ccc(OCCCN2C[C@H]3CC[C@@H](C2)[C@H]3[NH3+])cc1 ZINC000244763972 407937765 /nfs/dbraw/zinc/93/77/65/407937765.db2.gz OYWQACIERARZRO-FOLVSLTJSA-N 1 3 303.406 1.224 50 0 DDAAHO CN(C)Cc1ccccc1CNC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000426574996 419509801 /nfs/dbraw/zinc/50/98/01/419509801.db2.gz JWHZKKFBWLOZQS-INIZCTEOSA-N 1 3 304.438 1.594 50 0 DDAAHO Cc1cc(C)n(C[C@H](C)N2CCC(O)(C[NH+]3CCCC3)CC2)n1 ZINC000821740547 758171090 /nfs/dbraw/zinc/17/10/90/758171090.db2.gz RUXZVSXHLKZBKO-KRWDZBQOSA-N 1 3 320.481 1.811 50 0 DDAAHO CCN1CC[C@@H](NC(=O)N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000584897919 354798015 /nfs/dbraw/zinc/79/80/15/354798015.db2.gz HCTCPJMMPOMDTK-OAHLLOKOSA-N 1 3 317.437 1.316 50 0 DDAAHO C[C@H]1CNCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000126385950 407411862 /nfs/dbraw/zinc/41/18/62/407411862.db2.gz CTTZLWTUTSQGIK-GOEBONIOSA-N 1 3 319.424 1.858 50 0 DDAAHO C[C@H]1CNCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000126385950 407411863 /nfs/dbraw/zinc/41/18/63/407411863.db2.gz CTTZLWTUTSQGIK-GOEBONIOSA-N 1 3 319.424 1.858 50 0 DDAAHO O[C@H](COc1cccc(CN2CCC2)c1)C[NH+]1CCC(O)CC1 ZINC000095497396 185374542 /nfs/dbraw/zinc/37/45/42/185374542.db2.gz RSGHNGCGYIEMCB-KRWDZBQOSA-N 1 3 320.433 1.089 50 0 DDAAHO CN(CCc1ccccc1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072434203 191166615 /nfs/dbraw/zinc/16/66/15/191166615.db2.gz YDOWFBYXWTVMSJ-QGZVFWFLSA-N 1 3 315.461 1.761 50 0 DDAAHO Cc1cccc(C[NH+]2CCC(C(=O)NCCN(C)C)CC2)c1 ZINC000004499455 181115863 /nfs/dbraw/zinc/11/58/63/181115863.db2.gz SAHSTFVABLVNOQ-UHFFFAOYSA-N 1 3 303.450 1.885 50 0 DDAAHO CC1CCN(CCN(C)c2cc(C3CC([NH3+])C3)ncn2)CC1 ZINC000222751035 407559929 /nfs/dbraw/zinc/55/99/29/407559929.db2.gz IUJGGPGJGVLSNW-UHFFFAOYSA-N 1 3 303.454 1.849 50 0 DDAAHO COc1ccc(COC[C@@H](O)CNCC(C)(C)C[NH+](C)C)cc1 ZINC000006906524 406745164 /nfs/dbraw/zinc/74/51/64/406745164.db2.gz ZYVNGCUKCCLAHW-INIZCTEOSA-N 1 3 324.465 1.750 50 0 DDAAHO O[C@@]1(C[NH2+]CCc2cccc(C(F)(F)F)c2)CCCNC1 ZINC000077425326 406990328 /nfs/dbraw/zinc/99/03/28/406990328.db2.gz ABWSBLMPQWRFPK-AWEZNQCLSA-N 1 3 302.340 1.952 50 0 DDAAHO O[C@@]1(CNCCc2cccc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000077425326 406990329 /nfs/dbraw/zinc/99/03/29/406990329.db2.gz ABWSBLMPQWRFPK-AWEZNQCLSA-N 1 3 302.340 1.952 50 0 DDAAHO C[NH+](C)Cc1ccc(C(=O)NCCN2CCCC[C@H]2CO)cc1 ZINC000102537709 407324104 /nfs/dbraw/zinc/32/41/04/407324104.db2.gz VJPVVQFXDJXUNP-KRWDZBQOSA-N 1 3 319.449 1.325 50 0 DDAAHO C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157545058 408305700 /nfs/dbraw/zinc/30/57/00/408305700.db2.gz ICTMLYJRBZTMGN-UAGQMJEPSA-N 1 3 301.434 1.847 50 0 DDAAHO C[C@H](N)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000157545058 408305706 /nfs/dbraw/zinc/30/57/06/408305706.db2.gz ICTMLYJRBZTMGN-UAGQMJEPSA-N 1 3 301.434 1.847 50 0 DDAAHO Cc1c(NC2CCN(C)CC2)ncnc1NC1CC[NH+](C)CC1 ZINC000408524634 418808946 /nfs/dbraw/zinc/80/89/46/418808946.db2.gz WWLUDMKOTBNOCM-UHFFFAOYSA-N 1 3 318.469 1.797 50 0 DDAAHO c1cn(CC[NH+]2CCCCC2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072476266 191178606 /nfs/dbraw/zinc/17/86/06/191178606.db2.gz XLMJOUJTKGCCBM-UHFFFAOYSA-N 1 3 314.437 1.726 50 0 DDAAHO O[C@]1(C[NH2+]CCc2cccc(C(F)(F)F)c2)CCCNC1 ZINC000077425331 406989828 /nfs/dbraw/zinc/98/98/28/406989828.db2.gz ABWSBLMPQWRFPK-CQSZACIVSA-N 1 3 302.340 1.952 50 0 DDAAHO O[C@]1(CNCCc2cccc(C(F)(F)F)c2)CCC[NH2+]C1 ZINC000077425331 406989830 /nfs/dbraw/zinc/98/98/30/406989830.db2.gz ABWSBLMPQWRFPK-CQSZACIVSA-N 1 3 302.340 1.952 50 0 DDAAHO CN1CCN(CC2(C)CC[NH+](CCC3OCCO3)CC2)CC1 ZINC000253430024 407448496 /nfs/dbraw/zinc/44/84/96/407448496.db2.gz HUVFVNZMOOAAKZ-UHFFFAOYSA-N 1 3 311.470 1.099 50 0 DDAAHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCNC1=O ZINC000092821604 185343855 /nfs/dbraw/zinc/34/38/55/185343855.db2.gz PHWLKNCIMVYSOQ-MRXNPFEDSA-N 1 3 302.422 1.508 50 0 DDAAHO CC(C)[NH+]1CCC(N2CCN(C3CCC3)C[C@@H]2CCO)CC1 ZINC000071765420 406842031 /nfs/dbraw/zinc/84/20/31/406842031.db2.gz ZIJNHLHRLFKJCD-SFHVURJKSA-N 1 3 309.498 1.780 50 0 DDAAHO COc1cc2c(cc1CN1CCC3(CC1)C[NH2+]CCO3)OCO2 ZINC000426373852 419450749 /nfs/dbraw/zinc/45/07/49/419450749.db2.gz RMGRHKFOLAUKNW-UHFFFAOYSA-N 1 3 320.389 1.378 50 0 DDAAHO c1cn(CC[NH+]2CCCC2)c(-c2cc3n(n2)CCCNC3)n1 ZINC000072479445 191179697 /nfs/dbraw/zinc/17/96/97/191179697.db2.gz SKBQNHMPHDJCGL-UHFFFAOYSA-N 1 3 300.410 1.336 50 0 DDAAHO CC(=O)NCC[NH2+][C@@H]1CC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC000252587665 354384286 /nfs/dbraw/zinc/38/42/86/354384286.db2.gz ZSFRRKZHEZIXGS-RCCFBDPRSA-N 1 3 301.434 1.623 50 0 DDAAHO CC(=O)NCCN[C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000252587665 354384290 /nfs/dbraw/zinc/38/42/90/354384290.db2.gz ZSFRRKZHEZIXGS-RCCFBDPRSA-N 1 3 301.434 1.623 50 0 DDAAHO CC(=O)NCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000252587665 354384293 /nfs/dbraw/zinc/38/42/93/354384293.db2.gz ZSFRRKZHEZIXGS-RCCFBDPRSA-N 1 3 301.434 1.623 50 0 DDAAHO Cc1cnn([C@H](C)[C@@H](C)NC[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000229570725 407665387 /nfs/dbraw/zinc/66/53/87/407665387.db2.gz CIVVDJLPHPVMGK-BRWVUGGUSA-N 1 3 308.470 1.823 50 0 DDAAHO C[C@H](C[NH+](C)C)NC(=O)N(C)Cc1ccccc1CN(C)C ZINC000426399398 419457542 /nfs/dbraw/zinc/45/75/42/419457542.db2.gz KWWIJMZVDLTGER-CQSZACIVSA-N 1 3 306.454 1.840 50 0 DDAAHO CN(C)Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000534632193 334307914 /nfs/dbraw/zinc/30/79/14/334307914.db2.gz COYNFTPDAPPYKY-QGZVFWFLSA-N 1 3 316.449 1.738 50 0 DDAAHO CN(C)Cc1ccccc1CNC(=O)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000534632193 334307915 /nfs/dbraw/zinc/30/79/15/334307915.db2.gz COYNFTPDAPPYKY-QGZVFWFLSA-N 1 3 316.449 1.738 50 0 DDAAHO NCC(=O)NCCCOc1ccc(C[NH+]2CCCCC2)cc1 ZINC000075284376 353357839 /nfs/dbraw/zinc/35/78/39/353357839.db2.gz INHUMPALDUYDQU-UHFFFAOYSA-N 1 3 305.422 1.516 50 0 DDAAHO C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000157544785 197195350 /nfs/dbraw/zinc/19/53/50/197195350.db2.gz ICTMLYJRBZTMGN-USXIJHARSA-N 1 3 301.434 1.847 50 0 DDAAHO C[C@H](N)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000157544785 197195352 /nfs/dbraw/zinc/19/53/52/197195352.db2.gz ICTMLYJRBZTMGN-USXIJHARSA-N 1 3 301.434 1.847 50 0 DDAAHO C[C@@H](O)C[NH+]1CCC(CNCc2nc3ccccc3n2C)CC1 ZINC000069347329 406697339 /nfs/dbraw/zinc/69/73/39/406697339.db2.gz MIQWLXAOJUCSGA-CQSZACIVSA-N 1 3 316.449 1.756 50 0 DDAAHO O=C(NCc1ccc(-c2ccccc2)cc1)C12CNCC1C[NH2+]C2 ZINC000096150742 407240470 /nfs/dbraw/zinc/24/04/70/407240470.db2.gz RGGBCJYQOKMAEF-UHFFFAOYSA-N 1 3 321.424 1.779 50 0 DDAAHO C[NH2+]CC(=O)N[C@H](CN1CCc2ccccc2C1)C(C)(C)C ZINC000165035970 408808012 /nfs/dbraw/zinc/80/80/12/408808012.db2.gz HVOWLMZHGNLMOX-MRXNPFEDSA-N 1 3 303.450 1.795 50 0 DDAAHO c1cnc(N2CCN(C3CCC4(CC[NH2+]CC4)CC3)CC2)cn1 ZINC000067947501 696365723 /nfs/dbraw/zinc/36/57/23/696365723.db2.gz ZEEKHMPYULNZMV-UHFFFAOYSA-N 1 3 315.465 1.911 50 0 DDAAHO OCC1CCN(CCNC2CC[NH+](C3CCCC3)CC2)CC1 ZINC000828719611 759743688 /nfs/dbraw/zinc/74/36/88/759743688.db2.gz MQTLWGOBRQTQPR-UHFFFAOYSA-N 1 3 309.498 1.687 50 0 DDAAHO C[NH+](C)Cc1ccccc1CNC(=O)CN1C[C@@H]2CC[C@H]1C2 ZINC000299757706 410608947 /nfs/dbraw/zinc/60/89/47/410608947.db2.gz IXWQJWILZHAVGK-PBHICJAKSA-N 1 3 301.434 1.849 50 0 DDAAHO O=C(NC1CC1)[C@H]1CCCN(C2CC[NH+](C3CCC3)CC2)C1 ZINC000015073239 406878743 /nfs/dbraw/zinc/87/87/43/406878743.db2.gz LQKOSHBSUIBQQO-AWEZNQCLSA-N 1 3 305.466 1.994 50 0 DDAAHO Cc1nc(NCCN2CCC(O)CC2)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000067688753 407280762 /nfs/dbraw/zinc/28/07/62/407280762.db2.gz YFUUKEVPJVXBBC-CQSZACIVSA-N 1 3 319.453 1.121 50 0 DDAAHO CCN1CCC[C@H](C[N@@H+]2CCCN(c3ncccn3)CC2)C1 ZINC000215691714 407486869 /nfs/dbraw/zinc/48/68/69/407486869.db2.gz PKINFLDWQVFYTJ-INIZCTEOSA-N 1 3 303.454 1.721 50 0 DDAAHO CCN1CCC[C@H](C[N@H+]2CCCN(c3ncccn3)CC2)C1 ZINC000215691714 407486874 /nfs/dbraw/zinc/48/68/74/407486874.db2.gz PKINFLDWQVFYTJ-INIZCTEOSA-N 1 3 303.454 1.721 50 0 DDAAHO COCC[NH+]1CCC(C(=O)N2C[C@H]3CCC[C@@H](C2)N(C)C3)CC1 ZINC000670447977 484835403 /nfs/dbraw/zinc/83/54/03/484835403.db2.gz ZQIHDNLCVSUCJT-RDJZCZTQSA-N 1 3 323.481 1.288 50 0 DDAAHO N[C@@H](Cc1c[nH]cn1)C(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952979524 721531230 /nfs/dbraw/zinc/53/12/30/721531230.db2.gz OHIRIFGVHZRWRR-INIZCTEOSA-N 1 3 313.405 1.514 50 0 DDAAHO CC(C)Oc1cc(NCC2(N(C)C)CC[NH+](C)CC2)nc(N)n1 ZINC000823759349 758349823 /nfs/dbraw/zinc/34/98/23/758349823.db2.gz AGKGOWSZBNRSRD-UHFFFAOYSA-N 1 3 322.457 1.284 50 0 DDAAHO OCC[NH+]1CCC(CNCc2nccn2CC(F)(F)F)CC1 ZINC000071870957 406856938 /nfs/dbraw/zinc/85/69/38/406856938.db2.gz JRDKEVOHFKVCRB-UHFFFAOYSA-N 1 3 320.359 1.239 50 0 DDAAHO C[N@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000072274063 406876937 /nfs/dbraw/zinc/87/69/37/406876937.db2.gz PFNLCJYZYJYSNF-HZPDHXFCSA-N 1 3 324.469 1.023 50 0 DDAAHO C[N@@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C1CCCC1 ZINC000072274063 406876939 /nfs/dbraw/zinc/87/69/39/406876939.db2.gz PFNLCJYZYJYSNF-HZPDHXFCSA-N 1 3 324.469 1.023 50 0 DDAAHO CC(C)[N@H+](C)CCNC(=O)c1ccccc1OCCN(C)C ZINC000084575500 407090017 /nfs/dbraw/zinc/09/00/17/407090017.db2.gz ROZDQDFNLMTFHE-UHFFFAOYSA-N 1 3 307.438 1.697 50 0 DDAAHO CC(C)[N@@H+](C)CCNC(=O)c1ccccc1OCCN(C)C ZINC000084575500 407090019 /nfs/dbraw/zinc/09/00/19/407090019.db2.gz ROZDQDFNLMTFHE-UHFFFAOYSA-N 1 3 307.438 1.697 50 0 DDAAHO O[C@@]1(CN2CCC3(CNc4ccccc43)CC2)CCC[NH2+]C1 ZINC000072425674 275056144 /nfs/dbraw/zinc/05/61/44/275056144.db2.gz DSCXNUTZLAEISV-SFHVURJKSA-N 1 3 301.434 1.560 50 0 DDAAHO Cc1cccc(-n2cc(CNC[C@@H]3CC[NH2+]C[C@H]3O)cn2)c1 ZINC000072144898 191050353 /nfs/dbraw/zinc/05/03/53/191050353.db2.gz FWYLSEDGEYNEKJ-DOTOQJQBSA-N 1 3 300.406 1.241 50 0 DDAAHO CN1CC2(C[C@H]1C(=O)NCCOc1ccccc1)CC[NH2+]CC2 ZINC000072477688 191180335 /nfs/dbraw/zinc/18/03/35/191180335.db2.gz DRTRAGKHAFKRKO-INIZCTEOSA-N 1 3 317.433 1.256 50 0 DDAAHO O[C@H]1[C@H](NCCc2ccccn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072168119 275059442 /nfs/dbraw/zinc/05/94/42/275059442.db2.gz YIBRQEROKOKQJJ-MOPGFXCFSA-N 1 3 323.440 1.951 50 0 DDAAHO CC(C)C[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)N(C)C2)CC1 ZINC000581802123 761708749 /nfs/dbraw/zinc/70/87/49/761708749.db2.gz AMUJODFLJJKOFD-INIZCTEOSA-N 1 3 323.481 1.288 50 0 DDAAHO Cc1n[nH]c(C)c1CN1CC[C@@H]2[C@@H](CCC(=O)N2CCC[NH3+])C1 ZINC000072425065 191159858 /nfs/dbraw/zinc/15/98/58/191159858.db2.gz IZUBUOWWQRBOCX-GOEBONIOSA-N 1 3 319.453 1.188 50 0 DDAAHO CCN1CC[C@H](NC(=O)N2CCN(c3cc[nH+]cc3C)CC2)C1 ZINC000584897918 354798174 /nfs/dbraw/zinc/79/81/74/354798174.db2.gz HCTCPJMMPOMDTK-HNNXBMFYSA-N 1 3 317.437 1.316 50 0 DDAAHO CCN1CCN(c2ccc(C(=O)N3CC[C@H](C[NH3+])C3)cc2)CC1 ZINC000178553261 407491317 /nfs/dbraw/zinc/49/13/17/407491317.db2.gz FBPYJMZYHCRGPB-OAHLLOKOSA-N 1 3 316.449 1.249 50 0 DDAAHO COC[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000127587811 407441181 /nfs/dbraw/zinc/44/11/81/407441181.db2.gz ZVCKFULLBVSRCW-QRVBRYPASA-N 1 3 318.461 1.980 50 0 DDAAHO COC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000127587811 407441183 /nfs/dbraw/zinc/44/11/83/407441183.db2.gz ZVCKFULLBVSRCW-QRVBRYPASA-N 1 3 318.461 1.980 50 0 DDAAHO CC(C)N1CCC([NH2+][C@@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000097238293 353918647 /nfs/dbraw/zinc/91/86/47/353918647.db2.gz OBTODRCYDNIWHQ-GFCCVEGCSA-N 1 3 307.360 1.612 50 0 DDAAHO C[NH+](C)CCCNC[C@H](O)CO[C@H]1CCCc2ccccc21 ZINC000006936236 406745739 /nfs/dbraw/zinc/74/57/39/406745739.db2.gz DBAGOYSKCLDZMW-WMZOPIPTSA-N 1 3 306.450 1.983 50 0 DDAAHO Cc1nc(CC[NH2+]C2CCC3(CC[NH2+]CC3)CC2)cc(=O)[n-]1 ZINC000067855240 407287186 /nfs/dbraw/zinc/28/71/86/407287186.db2.gz XQJVFWFFIXTTAS-UHFFFAOYSA-N 1 3 304.438 1.523 50 0 DDAAHO C[C@H](N)C(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000178869213 407632636 /nfs/dbraw/zinc/63/26/36/407632636.db2.gz XLQUFWXWDGZVQP-KKUMJFAQSA-N 1 3 303.450 1.949 50 0 DDAAHO Cc1ncc(CN2CCC(Cn3cc(C[NH3+])nn3)CC2)s1 ZINC000023159197 182352301 /nfs/dbraw/zinc/35/23/01/182352301.db2.gz HRXPLBOVCNPFNO-UHFFFAOYSA-N 1 3 306.439 1.414 50 0 DDAAHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000237432508 287684090 /nfs/dbraw/zinc/68/40/90/287684090.db2.gz YJXVBIAGLJADIN-BRWVUGGUSA-N 1 3 322.497 1.146 50 0 DDAAHO CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](N)Cc1c[nH]cn1 ZINC000055344512 407201790 /nfs/dbraw/zinc/20/17/90/407201790.db2.gz PPWTXXQKNKVAMR-HNNXBMFYSA-N 1 3 307.442 1.004 50 0 DDAAHO CCN(CC[NH+]1CCCCCC1)C(=O)[C@@H](N)Cc1cnc[nH]1 ZINC000055344512 407201791 /nfs/dbraw/zinc/20/17/91/407201791.db2.gz PPWTXXQKNKVAMR-HNNXBMFYSA-N 1 3 307.442 1.004 50 0 DDAAHO [NH3+]CCOc1ccc(Cl)cc1C(=O)NCCN1CCCC1 ZINC000426444693 419473815 /nfs/dbraw/zinc/47/38/15/419473815.db2.gz UQMMDMJMWWGZDC-UHFFFAOYSA-N 1 3 311.813 1.503 50 0 DDAAHO C[C@H](CNC(=O)N1CC[C@H](N2CC=CC2)C1)C[NH+]1CCCC1 ZINC000101385721 289655147 /nfs/dbraw/zinc/65/51/47/289655147.db2.gz UCCIGPJBAHWHOJ-CVEARBPZSA-N 1 3 306.454 1.374 50 0 DDAAHO Nc1nc(C2CC([NH3+])C2)cc(N2CCN(CC3CCC3)CC2)n1 ZINC000223881232 563737826 /nfs/dbraw/zinc/73/78/26/563737826.db2.gz WRQOBHAKUZQGQI-UHFFFAOYSA-N 1 3 316.453 1.186 50 0 DDAAHO C[C@@H]1C[C@@H](Nc2cc(C(N)=O)ccc2CN(C)C)C[N@@H+]1C1CC1 ZINC000097034043 185399901 /nfs/dbraw/zinc/39/99/01/185399901.db2.gz BOCJQDLNPGIMHA-IUODEOHRSA-N 1 3 316.449 1.884 50 0 DDAAHO C[C@@H]1C[C@@H](Nc2cc(C(N)=O)ccc2CN(C)C)C[N@H+]1C1CC1 ZINC000097034043 185399902 /nfs/dbraw/zinc/39/99/02/185399902.db2.gz BOCJQDLNPGIMHA-IUODEOHRSA-N 1 3 316.449 1.884 50 0 DDAAHO CN(CC[NH+]1CCCCCC1)Cc1cc2n(n1)CCCNC2 ZINC000072150552 191055650 /nfs/dbraw/zinc/05/56/50/191055650.db2.gz IPEJRXWYUOWZDT-UHFFFAOYSA-N 1 3 305.470 1.684 50 0 DDAAHO CCN1CCN([C@@H](C)C[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000071819583 406846798 /nfs/dbraw/zinc/84/67/98/406846798.db2.gz VAVGUOBQHZUUBK-AWEZNQCLSA-N 1 3 307.486 1.823 50 0 DDAAHO CC(C)[NH+]1CCC(N2CCN(C3CCC3)C[C@H]2CCO)CC1 ZINC000107033246 407368819 /nfs/dbraw/zinc/36/88/19/407368819.db2.gz ZIJNHLHRLFKJCD-GOSISDBHSA-N 1 3 309.498 1.780 50 0 DDAAHO COC[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000245549964 408012373 /nfs/dbraw/zinc/01/23/73/408012373.db2.gz ZVCKFULLBVSRCW-OTWHNJEPSA-N 1 3 318.461 1.980 50 0 DDAAHO COC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2ccccc2)C1 ZINC000245549964 408012380 /nfs/dbraw/zinc/01/23/80/408012380.db2.gz ZVCKFULLBVSRCW-OTWHNJEPSA-N 1 3 318.461 1.980 50 0 DDAAHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCOC3)c2)C1 ZINC000246203737 408176573 /nfs/dbraw/zinc/17/65/73/408176573.db2.gz JMQCDLHMEOLJFJ-SJORKVTESA-N 1 3 317.433 1.262 50 0 DDAAHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCOC3)c2)C1 ZINC000246203737 408176579 /nfs/dbraw/zinc/17/65/79/408176579.db2.gz JMQCDLHMEOLJFJ-SJORKVTESA-N 1 3 317.433 1.262 50 0 DDAAHO COc1cccc(C[NH2+]CC[C@@H]2CCC(=O)N2CCN(C)C)c1 ZINC000299771983 410616482 /nfs/dbraw/zinc/61/64/82/410616482.db2.gz YWLGJLIHNNIVIN-INIZCTEOSA-N 1 3 319.449 1.728 50 0 DDAAHO [NH3+]CCN1C(=O)CC[C@H]2CN(C/C=C/c3ccco3)CC[C@H]21 ZINC000072462599 696394206 /nfs/dbraw/zinc/39/42/06/696394206.db2.gz KMHBDSRMRMGBCN-NCOFJEEWSA-N 1 3 303.406 1.564 50 0 DDAAHO CC(C)N1CCC([NH2+][C@H]2CC(=O)N(CC(F)(F)F)C2)CC1 ZINC000097238295 353919034 /nfs/dbraw/zinc/91/90/34/353919034.db2.gz OBTODRCYDNIWHQ-LBPRGKRZSA-N 1 3 307.360 1.612 50 0 DDAAHO Cc1ccc(I)cc1NC(=N)NC(N)=[NH2+] ZINC000020459052 182220098 /nfs/dbraw/zinc/22/00/98/182220098.db2.gz WYJMVXFYBUTGPY-UHFFFAOYSA-N 1 3 317.134 1.429 50 0 DDAAHO Cc1ccc(I)cc1NC(=[NH2+])NC(=N)N ZINC000020459052 182220100 /nfs/dbraw/zinc/22/01/00/182220100.db2.gz WYJMVXFYBUTGPY-UHFFFAOYSA-N 1 3 317.134 1.429 50 0 DDAAHO Clc1cccc(CN2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)c1 ZINC000102812058 407327529 /nfs/dbraw/zinc/32/75/29/407327529.db2.gz ITSWWBLSPPKJEU-FVQHAEBGSA-N 1 3 305.853 1.923 50 0 DDAAHO C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000237398984 407816343 /nfs/dbraw/zinc/81/63/43/407816343.db2.gz ICTMLYJRBZTMGN-XIRDDKMYSA-N 1 3 301.434 1.847 50 0 DDAAHO C[C@H](N)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000237398984 407816348 /nfs/dbraw/zinc/81/63/48/407816348.db2.gz ICTMLYJRBZTMGN-XIRDDKMYSA-N 1 3 301.434 1.847 50 0 DDAAHO CSCc1nc(CC[NH2+]C[C@]2(O)CCCNC2)cs1 ZINC000072424743 191160334 /nfs/dbraw/zinc/16/03/34/191160334.db2.gz IYENZFUCBVORNI-ZDUSSCGKSA-N 1 3 301.481 1.253 50 0 DDAAHO NC(=O)c1ccc(OCCC[N@H+]2C[C@H](N)[C@@H](C3CC3)C2)cc1 ZINC000092045794 193147574 /nfs/dbraw/zinc/14/75/74/193147574.db2.gz SNAVTDRVCHMZIM-CVEARBPZSA-N 1 3 303.406 1.224 50 0 DDAAHO NC(=O)c1ccc(OCCC[N@@H+]2C[C@H](N)[C@@H](C3CC3)C2)cc1 ZINC000092045794 193147575 /nfs/dbraw/zinc/14/75/75/193147575.db2.gz SNAVTDRVCHMZIM-CVEARBPZSA-N 1 3 303.406 1.224 50 0 DDAAHO C[NH+](C)CCOc1ccc(CN[C@@H]2CCc3ncnn3C2)cc1 ZINC000069521331 406729060 /nfs/dbraw/zinc/72/90/60/406729060.db2.gz XCJMZNXOHSRKPX-OAHLLOKOSA-N 1 3 315.421 1.323 50 0 DDAAHO CN(C)CCOc1ccc(C[NH2+][C@@H]2CCc3ncnn3C2)cc1 ZINC000069521331 406729065 /nfs/dbraw/zinc/72/90/65/406729065.db2.gz XCJMZNXOHSRKPX-OAHLLOKOSA-N 1 3 315.421 1.323 50 0 DDAAHO O=C(NC1CC1)[C@@H]1CCCN(C2CC[NH+](C3CCC3)CC2)C1 ZINC000015073238 406878193 /nfs/dbraw/zinc/87/81/93/406878193.db2.gz LQKOSHBSUIBQQO-CQSZACIVSA-N 1 3 305.466 1.994 50 0 DDAAHO CC[C@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000089393747 407132704 /nfs/dbraw/zinc/13/27/04/407132704.db2.gz CGVATRZIQRKSAW-MRXNPFEDSA-N 1 3 304.438 1.754 50 0 DDAAHO C[C@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095088906 407206045 /nfs/dbraw/zinc/20/60/45/407206045.db2.gz ORVGAQKEQXPYTR-HNNXBMFYSA-N 1 3 301.434 1.848 50 0 DDAAHO C[C@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095088906 407206047 /nfs/dbraw/zinc/20/60/47/407206047.db2.gz ORVGAQKEQXPYTR-HNNXBMFYSA-N 1 3 301.434 1.848 50 0 DDAAHO Cc1cccc(CN2CCCN(C)C3(CC[NH+](C)CC3)C2)n1 ZINC000067946973 407290997 /nfs/dbraw/zinc/29/09/97/407290997.db2.gz IYALSQAGIMVXOK-UHFFFAOYSA-N 1 3 302.466 1.992 50 0 DDAAHO CN(C)C[C@@H](c1ccccc1)N(C)C(=O)C1(O)CC[NH+](C)CC1 ZINC000097468362 407298513 /nfs/dbraw/zinc/29/85/13/407298513.db2.gz XXXSHDBUDQOPEM-INIZCTEOSA-N 1 3 319.449 1.204 50 0 DDAAHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179093597 407721640 /nfs/dbraw/zinc/72/16/40/407721640.db2.gz SUMNCOFYMJRMLY-LBPRGKRZSA-N 1 3 301.390 1.928 50 0 DDAAHO CCN1CCC[C@@H]1CSc1nnc(C2CC[NH2+]CC2)n1C ZINC000426500024 279315553 /nfs/dbraw/zinc/31/55/53/279315553.db2.gz BMGDEZPRLXFWLH-CYBMUJFWSA-N 1 3 309.483 1.859 50 0 DDAAHO CSCC[NH+]1CCC(NC(=O)CN2CCCCCC2)CC1 ZINC000952982236 721531530 /nfs/dbraw/zinc/53/15/30/721531530.db2.gz VXNQHCZIDUKHSZ-UHFFFAOYSA-N 1 3 313.511 1.806 50 0 DDAAHO Cc1ccnc(CNC(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)c1 ZINC000072425038 191159228 /nfs/dbraw/zinc/15/92/28/191159228.db2.gz IPKRHSCBVITLHN-HNNXBMFYSA-N 1 3 302.422 1.080 50 0 DDAAHO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000269255086 207394498 /nfs/dbraw/zinc/39/44/98/207394498.db2.gz HLIFBWOZVIGDIG-HUUCEWRRSA-N 1 3 319.449 1.826 50 0 DDAAHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@](C)(N)C2CC2)CC1 ZINC000299740327 534227515 /nfs/dbraw/zinc/22/75/15/534227515.db2.gz YLYJPPMTEIWCSK-RVKKMQEKSA-N 1 3 322.497 1.131 50 0 DDAAHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@](C)(N)C2CC2)CC1 ZINC000299740327 534227517 /nfs/dbraw/zinc/22/75/17/534227517.db2.gz YLYJPPMTEIWCSK-RVKKMQEKSA-N 1 3 322.497 1.131 50 0 DDAAHO Cc1ncc(CN2CCC[C@H](CNC(=O)C3([NH3+])CCCC3)C2)[nH]1 ZINC000067920824 696365263 /nfs/dbraw/zinc/36/52/63/696365263.db2.gz OCKABOKWCUGHOU-CQSZACIVSA-N 1 3 319.453 1.318 50 0 DDAAHO CN1C[C@]2(CCCN(Cc3cccc(CC[NH3+])c3)C2)OC1=O ZINC000072453993 283252431 /nfs/dbraw/zinc/25/24/31/283252431.db2.gz IULXZPQOZJAGIP-KRWDZBQOSA-N 1 3 303.406 1.604 50 0 DDAAHO C[C@H]1CNCCN1C(=O)[C@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000126386133 407412342 /nfs/dbraw/zinc/41/23/42/407412342.db2.gz CTTZLWTUTSQGIK-HOCLYGCPSA-N 1 3 319.424 1.858 50 0 DDAAHO C[C@H]1CNCCN1C(=O)[C@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000126386133 407412343 /nfs/dbraw/zinc/41/23/43/407412343.db2.gz CTTZLWTUTSQGIK-HOCLYGCPSA-N 1 3 319.424 1.858 50 0 DDAAHO CC(C)n1cncc1CN1CCN(CC2CC[NH+](C)CC2)CC1 ZINC000215420648 407484053 /nfs/dbraw/zinc/48/40/53/407484053.db2.gz JPDLISGWONIGBP-UHFFFAOYSA-N 1 3 319.497 1.923 50 0 DDAAHO Cc1cc(N2CCCN(CCN3CCCC3=O)CC2)cc[nH+]1 ZINC000299790186 410630066 /nfs/dbraw/zinc/63/00/66/410630066.db2.gz AYOKMNYKNDYVQW-UHFFFAOYSA-N 1 3 302.422 1.525 50 0 DDAAHO Cc1ccc(CN(C)C[C@@]2(O)CCOC3(CC[NH2+]CC3)C2)nc1 ZINC000409420824 878187379 /nfs/dbraw/zinc/18/73/79/878187379.db2.gz NSJVZSKABIWHBH-QGZVFWFLSA-N 1 3 319.449 1.486 50 0 DDAAHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000097681887 407301864 /nfs/dbraw/zinc/30/18/64/407301864.db2.gz CAPJJVOLNGAVGI-GOSISDBHSA-N 1 3 301.434 1.916 50 0 DDAAHO CN(C)Cc1cccc(C(=O)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000097681887 407301866 /nfs/dbraw/zinc/30/18/66/407301866.db2.gz CAPJJVOLNGAVGI-GOSISDBHSA-N 1 3 301.434 1.916 50 0 DDAAHO CC(C)[N@H+](C)CCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000102062908 332223151 /nfs/dbraw/zinc/22/31/51/332223151.db2.gz WWQYWKSDTDXFHX-UHFFFAOYSA-N 1 3 305.426 1.253 50 0 DDAAHO CC(C)[N@@H+](C)CCNC(=O)N1CCN(c2ccncc2)CC1 ZINC000102062908 332223152 /nfs/dbraw/zinc/22/31/52/332223152.db2.gz WWQYWKSDTDXFHX-UHFFFAOYSA-N 1 3 305.426 1.253 50 0 DDAAHO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000072148731 191055133 /nfs/dbraw/zinc/05/51/33/191055133.db2.gz TUVPGKYPDSSXDH-QGZVFWFLSA-N 1 3 318.421 1.948 50 0 DDAAHO Cc1nc2ccc(C[NH2+][C@@H](C)CN3CCN(C)CC3)cc2[nH]1 ZINC000823789095 758362918 /nfs/dbraw/zinc/36/29/18/758362918.db2.gz DJYHIHMLLZLGGX-ZDUSSCGKSA-N 1 3 301.438 1.597 50 0 DDAAHO C[NH+](C)CCCNC[C@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000006936231 406744297 /nfs/dbraw/zinc/74/42/97/406744297.db2.gz DBAGOYSKCLDZMW-FUHWJXTLSA-N 1 3 306.450 1.983 50 0 DDAAHO O[C@@]1(CN2CCCN(CCCc3ccccc3)CC2)CC[NH2+]C1 ZINC000077504335 406993510 /nfs/dbraw/zinc/99/35/10/406993510.db2.gz SIVWHCUBGGWWQT-IBGZPJMESA-N 1 3 317.477 1.351 50 0 DDAAHO C[C@@H](C(=O)NC1CCCC1)N1CCN(CC2CC[NH2+]CC2)CC1 ZINC000178980276 286772267 /nfs/dbraw/zinc/77/22/67/286772267.db2.gz DPVZJMYAIKCLSM-HNNXBMFYSA-N 1 3 322.497 1.051 50 0 DDAAHO c1ccc(-c2nc3c(c(N[C@@H]4CCC[NH2+]C4)n2)CCNC3)cc1 ZINC000067676337 407279841 /nfs/dbraw/zinc/27/98/41/407279841.db2.gz GKSIGNWSRFNYSE-CQSZACIVSA-N 1 3 309.417 1.953 50 0 DDAAHO Cc1noc(C)c1CN1CC[C@@H](CNC(=O)C2([NH3+])CCC2)C1 ZINC000067787231 407283986 /nfs/dbraw/zinc/28/39/86/407283986.db2.gz XBRUDCOAMLLIPQ-ZDUSSCGKSA-N 1 3 306.410 1.111 50 0 DDAAHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000253416026 407442715 /nfs/dbraw/zinc/44/27/15/407442715.db2.gz MIRFHXCSFHZCFK-UKRRQHHQSA-N 1 3 311.451 1.154 50 0 DDAAHO C[C@@](O)(C[C@H](O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000952877179 775627783 /nfs/dbraw/zinc/62/77/83/775627783.db2.gz MFDWFMYNXQRVIC-XGXHKWSGSA-N 1 3 318.461 1.573 50 0 DDAAHO Cc1cnn([C@H](C)[C@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000069464827 406718316 /nfs/dbraw/zinc/71/83/16/406718316.db2.gz CIVVDJLPHPVMGK-BBWFWOEESA-N 1 3 308.470 1.823 50 0 DDAAHO COc1ccc2cc(C[N@H+](C)CCCN(C)C)c(=O)[nH]c2c1 ZINC000067673646 407279140 /nfs/dbraw/zinc/27/91/40/407279140.db2.gz QBBHNOGSSGZEBI-UHFFFAOYSA-N 1 3 303.406 1.920 50 0 DDAAHO COc1ccc2cc(C[N@@H+](C)CCCN(C)C)c(=O)[nH]c2c1 ZINC000067673646 407279142 /nfs/dbraw/zinc/27/91/42/407279142.db2.gz QBBHNOGSSGZEBI-UHFFFAOYSA-N 1 3 303.406 1.920 50 0 DDAAHO C[C@H](N)C(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000178869224 407634465 /nfs/dbraw/zinc/63/44/65/407634465.db2.gz XLQUFWXWDGZVQP-KFWWJZLASA-N 1 3 303.450 1.949 50 0 DDAAHO c1ccc(CN2CCN(CCN3CCC[NH2+]CC3)CC2)cc1 ZINC000244748692 407934725 /nfs/dbraw/zinc/93/47/25/407934725.db2.gz OMOJRVSGCBJHIY-UHFFFAOYSA-N 1 3 302.466 1.100 50 0 DDAAHO O=C(C[C@H]1CNCCO1)NCC1([NH+]2CCCCC2)CCCC1 ZINC000534590847 334294427 /nfs/dbraw/zinc/29/44/27/334294427.db2.gz ONULGIQKXCCKPX-HNNXBMFYSA-N 1 3 309.454 1.280 50 0 DDAAHO CC(C)[C@H]1CN(C(=O)CN)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071752278 191023557 /nfs/dbraw/zinc/02/35/57/191023557.db2.gz DMVYCSKUDMHTQS-MRXNPFEDSA-N 1 3 307.413 1.843 50 0 DDAAHO CC(C)[C@H]1CN(C(=O)CN)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071752278 191023560 /nfs/dbraw/zinc/02/35/60/191023560.db2.gz DMVYCSKUDMHTQS-MRXNPFEDSA-N 1 3 307.413 1.843 50 0 DDAAHO CC(C)[C@H]1CN(C(=O)C[NH3+])CCCN1Cc1ccc(F)cc1 ZINC000071752278 191023563 /nfs/dbraw/zinc/02/35/63/191023563.db2.gz DMVYCSKUDMHTQS-MRXNPFEDSA-N 1 3 307.413 1.843 50 0 DDAAHO COc1ccc(C2(CNC[C@]3(O)CC[NH2+]C3)CCCC2)cc1 ZINC000072476442 191178351 /nfs/dbraw/zinc/17/83/51/191178351.db2.gz YOLSSWDUWHGTEG-SFHVURJKSA-N 1 3 304.434 1.821 50 0 DDAAHO C[C@H]1NCCC[N@@H+](CCO)CCCN[C@@H](C)c2cccc1n2 ZINC000068605058 291188730 /nfs/dbraw/zinc/18/87/30/291188730.db2.gz FUCMCCJMAABLHS-GASCZTMLSA-N 1 3 306.454 1.471 50 0 DDAAHO C[C@H]1NCCC[N@H+](CCO)CCCN[C@@H](C)c2cccc1n2 ZINC000068605058 291188731 /nfs/dbraw/zinc/18/87/31/291188731.db2.gz FUCMCCJMAABLHS-GASCZTMLSA-N 1 3 306.454 1.471 50 0 DDAAHO CC[C@H]1CCCCN1C(=O)C[NH2+]CC1CCN(CCO)CC1 ZINC000069627860 406745337 /nfs/dbraw/zinc/74/53/37/406745337.db2.gz SEZGDLKUZUXDHN-INIZCTEOSA-N 1 3 311.470 1.071 50 0 DDAAHO CN(C)Cc1csc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097173014 407285105 /nfs/dbraw/zinc/28/51/05/407285105.db2.gz ZPLDPBCANSTTJT-OAHLLOKOSA-N 1 3 308.495 1.289 50 0 DDAAHO C[N@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000106905442 407365839 /nfs/dbraw/zinc/36/58/39/407365839.db2.gz PFNLCJYZYJYSNF-JKSUJKDBSA-N 1 3 324.469 1.023 50 0 DDAAHO C[N@@H+](CCNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000106905442 407365842 /nfs/dbraw/zinc/36/58/42/407365842.db2.gz PFNLCJYZYJYSNF-JKSUJKDBSA-N 1 3 324.469 1.023 50 0 DDAAHO C[C@@H](CCNC(=O)N1CCN(c2ccncc2)CC1)[NH+](C)C ZINC000534632473 334307739 /nfs/dbraw/zinc/30/77/39/334307739.db2.gz XYLZEBRJAFBVPY-AWEZNQCLSA-N 1 3 305.426 1.253 50 0 DDAAHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)C1 ZINC000084760821 484000936 /nfs/dbraw/zinc/00/09/36/484000936.db2.gz ZZNOGZMAMCUGBT-BBWFWOEESA-N 1 3 324.513 1.948 50 0 DDAAHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)C1 ZINC000084760821 484000941 /nfs/dbraw/zinc/00/09/41/484000941.db2.gz ZZNOGZMAMCUGBT-BBWFWOEESA-N 1 3 324.513 1.948 50 0 DDAAHO CC[C@H](C(=O)N1CCC([NH+]2CCC(O)CC2)CC1)N(C)CC ZINC000822544822 758221434 /nfs/dbraw/zinc/22/14/34/758221434.db2.gz FKXDNYVWCABIOW-MRXNPFEDSA-N 1 3 311.470 1.164 50 0 DDAAHO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000237325085 202231924 /nfs/dbraw/zinc/23/19/24/202231924.db2.gz HLIFBWOZVIGDIG-CABCVRRESA-N 1 3 319.449 1.826 50 0 DDAAHO CCNC(=O)CC[NH+]1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000065605609 184371368 /nfs/dbraw/zinc/37/13/68/184371368.db2.gz GQJMORUKUBVPOR-GASCZTMLSA-N 1 3 311.470 1.334 50 0 DDAAHO COCCn1cnnc1[C@@H](C)NC1CCC2(CC[NH2+]CC2)CC1 ZINC000067457970 407274030 /nfs/dbraw/zinc/27/40/30/407274030.db2.gz GPHHOAKYUYMAEB-CQSZACIVSA-N 1 3 321.469 1.888 50 0 DDAAHO O=C(NCc1cccnc1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000082138593 192360908 /nfs/dbraw/zinc/36/09/08/192360908.db2.gz JBVPAVBYICKQKZ-OAHLLOKOSA-N 1 3 302.422 1.162 50 0 DDAAHO O=C(NCc1cccnc1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000082138593 192360912 /nfs/dbraw/zinc/36/09/12/192360912.db2.gz JBVPAVBYICKQKZ-OAHLLOKOSA-N 1 3 302.422 1.162 50 0 DDAAHO O=C(NCc1cccnc1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000082138593 192360914 /nfs/dbraw/zinc/36/09/14/192360914.db2.gz JBVPAVBYICKQKZ-OAHLLOKOSA-N 1 3 302.422 1.162 50 0 DDAAHO CCn1c([C@@H]2CCC[N@H+](CC(C)C)C2)nn(CCN(C)C)c1=O ZINC000067982372 696365859 /nfs/dbraw/zinc/36/58/59/696365859.db2.gz NPRRARZIUIORNS-OAHLLOKOSA-N 1 3 323.485 1.462 50 0 DDAAHO CCn1c([C@@H]2CCC[N@@H+](CC(C)C)C2)nn(CCN(C)C)c1=O ZINC000067982372 696365860 /nfs/dbraw/zinc/36/58/60/696365860.db2.gz NPRRARZIUIORNS-OAHLLOKOSA-N 1 3 323.485 1.462 50 0 DDAAHO C[C@H]1CCCCN1C1CN(c2ncnc3c2CC[NH2+]CC3)C1 ZINC000072418349 191157327 /nfs/dbraw/zinc/15/73/27/191157327.db2.gz BSCZYPVCDVOVFM-ZDUSSCGKSA-N 1 3 301.438 1.228 50 0 DDAAHO CN1CCC(O)(C[NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000584887863 354790589 /nfs/dbraw/zinc/79/05/89/354790589.db2.gz LBEHQCIESWYWHY-OAHLLOKOSA-N 1 3 307.413 1.451 50 0 DDAAHO CC[C@@H]1CCCCN1C(=O)C[NH2+]CC1CCN(CCO)CC1 ZINC000069627857 406746791 /nfs/dbraw/zinc/74/67/91/406746791.db2.gz SEZGDLKUZUXDHN-MRXNPFEDSA-N 1 3 311.470 1.071 50 0 DDAAHO C[NH+](C)CCOc1ccc(CN[C@H]2CCc3ncnn3C2)cc1 ZINC000069521332 406728239 /nfs/dbraw/zinc/72/82/39/406728239.db2.gz XCJMZNXOHSRKPX-HNNXBMFYSA-N 1 3 315.421 1.323 50 0 DDAAHO CN(C)CCOc1ccc(C[NH2+][C@H]2CCc3ncnn3C2)cc1 ZINC000069521332 406728242 /nfs/dbraw/zinc/72/82/42/406728242.db2.gz XCJMZNXOHSRKPX-HNNXBMFYSA-N 1 3 315.421 1.323 50 0 DDAAHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)[C@H](C)n2cccn2)CC1 ZINC000069813345 406776826 /nfs/dbraw/zinc/77/68/26/406776826.db2.gz LGJGXECJLUCRIM-KBPBESRZSA-N 1 3 307.442 1.023 50 0 DDAAHO CCn1c(=O)n(CCN2CCCCCC2)nc1[C@@H]1CCC[NH2+]C1 ZINC000067909403 407289837 /nfs/dbraw/zinc/28/98/37/407289837.db2.gz CHYNATSPDYHTGG-OAHLLOKOSA-N 1 3 321.469 1.408 50 0 DDAAHO COc1cccc(CN2CCC[C@@H]([NH3+])CC2)c1OCCN(C)C ZINC000097713607 407301963 /nfs/dbraw/zinc/30/19/63/407301963.db2.gz GQZLASQZCNQSMG-MRXNPFEDSA-N 1 3 321.465 1.949 50 0 DDAAHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@@H]([NH3+])c2ccccc2)C1(C)C ZINC000262822775 407948187 /nfs/dbraw/zinc/94/81/87/407948187.db2.gz YSDSBESULOPBAH-CPUCHLNUSA-N 1 3 305.422 1.335 50 0 DDAAHO Cc1ccc(C)c(CN2C[C@H](CO)[C@H](C[N@H+](C)CCO)C2)c1 ZINC000091586451 696589815 /nfs/dbraw/zinc/58/98/15/696589815.db2.gz WXBHQSAMFZPDQU-QZTJIDSGSA-N 1 3 306.450 1.268 50 0 DDAAHO Cc1ccc(C)c(CN2C[C@H](CO)[C@H](C[N@@H+](C)CCO)C2)c1 ZINC000091586451 696589816 /nfs/dbraw/zinc/58/98/16/696589816.db2.gz WXBHQSAMFZPDQU-QZTJIDSGSA-N 1 3 306.450 1.268 50 0 DDAAHO CN(C(=O)C1(N)CC1)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072433481 191164032 /nfs/dbraw/zinc/16/40/32/191164032.db2.gz JPICYFOTHWNHMB-INIZCTEOSA-N 1 3 301.434 1.643 50 0 DDAAHO CN(C(=O)C1(N)CC1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072433481 191164035 /nfs/dbraw/zinc/16/40/35/191164035.db2.gz JPICYFOTHWNHMB-INIZCTEOSA-N 1 3 301.434 1.643 50 0 DDAAHO Fc1c(F)c(N2CC[NH2+]CC2)c(F)c(F)c1N1CCNCC1 ZINC000095217806 407206811 /nfs/dbraw/zinc/20/68/11/407206811.db2.gz LRTCJFIHCNYPQX-UHFFFAOYSA-N 1 3 318.318 1.062 50 0 DDAAHO CC(C)Cc1nc([C@@H]([NH3+])Cc2c[nH]cn2)n(-c2ccncc2)n1 ZINC000952861047 775589326 /nfs/dbraw/zinc/58/93/26/775589326.db2.gz BRYOUOZAOYRAJX-AWEZNQCLSA-N 1 3 311.393 1.826 50 0 DDAAHO [NH3+]C[C@@H]1CN(C[C@@H](O)CC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000952878163 775628018 /nfs/dbraw/zinc/62/80/18/775628018.db2.gz ZIRIFMOUPPQQFC-IKGGRYGDSA-N 1 3 304.434 1.327 50 0 DDAAHO [NH3+]C[C@@H]1CN(C[C@H](O)CC2(O)CCC2)C[C@H]1c1ccccc1 ZINC000952878165 775628178 /nfs/dbraw/zinc/62/81/78/775628178.db2.gz ZIRIFMOUPPQQFC-ZACQAIPSSA-N 1 3 304.434 1.327 50 0 DDAAHO CN1CCC(O)(C[NH2+][C@H]2CCN(c3ccc(F)cc3)C2)CC1 ZINC000584887862 354790306 /nfs/dbraw/zinc/79/03/06/354790306.db2.gz LBEHQCIESWYWHY-HNNXBMFYSA-N 1 3 307.413 1.451 50 0 DDAAHO COc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)cc2c1OCO2 ZINC000042229093 183245065 /nfs/dbraw/zinc/24/50/65/183245065.db2.gz LFZLKXOKWPUIRR-GFCCVEGCSA-N 1 3 304.390 1.998 50 0 DDAAHO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3cnccc3N)c2)C1 ZINC000426473727 419481066 /nfs/dbraw/zinc/48/10/66/419481066.db2.gz XHIQIOPLVLMPBI-HNNXBMFYSA-N 1 3 310.401 1.937 50 0 DDAAHO CC(C)[NH+]1CCC2(C[C@@H](C(=O)N3CCOCC3)N(C)C2)CC1 ZINC000581802799 761709903 /nfs/dbraw/zinc/70/99/03/761709903.db2.gz OWQYFNCCLOVTCO-HNNXBMFYSA-N 1 3 309.454 1.040 50 0 DDAAHO Cc1ccc(OC2CCN(C(=O)[C@@H](N)CCCC[NH3+])CC2)cc1 ZINC000082106186 192356298 /nfs/dbraw/zinc/35/62/98/192356298.db2.gz DZOZRQXCKBCGFT-KRWDZBQOSA-N 1 3 319.449 1.821 50 0 DDAAHO C[C@@H](N)C(=O)N(C)C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000237441818 186289542 /nfs/dbraw/zinc/28/95/42/186289542.db2.gz XLQUFWXWDGZVQP-SOUVJXGZSA-N 1 3 303.450 1.949 50 0 DDAAHO O[C@@]1(CNCCCNc2cccnc2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063844477 407236710 /nfs/dbraw/zinc/23/67/10/407236710.db2.gz FDSGIGDPCNKYGF-QZTJIDSGSA-N 1 3 318.465 1.853 50 0 DDAAHO O[C@@]1(CNCCCNc2cccnc2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063844477 407236713 /nfs/dbraw/zinc/23/67/13/407236713.db2.gz FDSGIGDPCNKYGF-QZTJIDSGSA-N 1 3 318.465 1.853 50 0 DDAAHO COc1ncc([C@H]2N[C@](CO)(CC(C)C)[C@H]3C[N@H+](C)C[C@H]32)cn1 ZINC000065397125 696345164 /nfs/dbraw/zinc/34/51/64/696345164.db2.gz STSVTJAWFOPLNC-DLTWYDFYSA-N 1 3 320.437 1.085 50 0 DDAAHO COc1ncc([C@H]2N[C@](CO)(CC(C)C)[C@H]3C[N@@H+](C)C[C@H]32)cn1 ZINC000065397125 696345168 /nfs/dbraw/zinc/34/51/68/696345168.db2.gz STSVTJAWFOPLNC-DLTWYDFYSA-N 1 3 320.437 1.085 50 0 DDAAHO [NH3+][C@@H]1c2ccccc2C2(CCN(Cc3ccccn3)CC2)[C@H]1O ZINC000072166548 191067418 /nfs/dbraw/zinc/06/74/18/191067418.db2.gz RSIUJEVSLOKQIJ-MSOLQXFVSA-N 1 3 309.413 1.990 50 0 DDAAHO CN(C)Cc1ccccc1CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000534632192 334307958 /nfs/dbraw/zinc/30/79/58/334307958.db2.gz COYNFTPDAPPYKY-KRWDZBQOSA-N 1 3 316.449 1.738 50 0 DDAAHO CN(C)Cc1ccccc1CNC(=O)N1CC[N@H+]2CCC[C@H]2C1 ZINC000534632192 334307960 /nfs/dbraw/zinc/30/79/60/334307960.db2.gz COYNFTPDAPPYKY-KRWDZBQOSA-N 1 3 316.449 1.738 50 0 DDAAHO Cc1ccc(CN(C)C[C@]2(O)CCOC3(CC[NH2+]CC3)C2)nc1 ZINC000409420823 878186504 /nfs/dbraw/zinc/18/65/04/878186504.db2.gz NSJVZSKABIWHBH-KRWDZBQOSA-N 1 3 319.449 1.486 50 0 DDAAHO O[C@@]1(C[NH2+]CCc2csc(-c3ccncc3)n2)CCCNC1 ZINC000072421183 191158318 /nfs/dbraw/zinc/15/83/18/191158318.db2.gz LUVMVFKBLBDFDL-INIZCTEOSA-N 1 3 318.446 1.452 50 0 DDAAHO O=C(N1CC=C(c2ccc(F)cc2)CC1)C12CNCC1C[NH2+]C2 ZINC000096136663 407239261 /nfs/dbraw/zinc/23/92/61/407239261.db2.gz HDNMQRJPOZGATD-UHFFFAOYSA-N 1 3 315.392 1.250 50 0 DDAAHO O=C(CN1CCCCCC1)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000952980282 721531392 /nfs/dbraw/zinc/53/13/92/721531392.db2.gz ZBDUGRHFGRQSIK-KRWDZBQOSA-N 1 3 323.481 1.622 50 0 DDAAHO Cc1cccnc1NCC[NH2+]C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063833912 407235475 /nfs/dbraw/zinc/23/54/75/407235475.db2.gz LCLRTWFQGITDQN-SJLPKXTDSA-N 1 3 318.465 1.771 50 0 DDAAHO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000095362968 407208769 /nfs/dbraw/zinc/20/87/69/407208769.db2.gz VIXUCYOCBWMNOJ-CQSZACIVSA-N 1 3 321.469 1.278 50 0 DDAAHO Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](O)CN2CCCCC2)o1 ZINC000097160062 407283874 /nfs/dbraw/zinc/28/38/74/407283874.db2.gz AXHKKCHQLDXYMR-HNNXBMFYSA-N 1 3 318.421 1.915 50 0 DDAAHO COCC(=O)N1CCCN(C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067879490 407288762 /nfs/dbraw/zinc/28/87/62/407288762.db2.gz QDXRBMNUYKRITI-UHFFFAOYSA-N 1 3 323.481 1.480 50 0 DDAAHO O=C(NCCN1CCCC1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000216459764 407495188 /nfs/dbraw/zinc/49/51/88/407495188.db2.gz WLZRWLLLUKFEJZ-KRWDZBQOSA-N 1 3 301.434 1.979 50 0 DDAAHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCC[C@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000299738455 288151985 /nfs/dbraw/zinc/15/19/85/288151985.db2.gz AXXXGMYQHFWVOR-YALNPMBYSA-N 1 3 323.481 1.462 50 0 DDAAHO O=C(CN1CCCCCC1)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000952980285 721531109 /nfs/dbraw/zinc/53/11/09/721531109.db2.gz ZBDUGRHFGRQSIK-QGZVFWFLSA-N 1 3 323.481 1.622 50 0 DDAAHO O[C@]1(C[NH+]2CCC(OCc3ccccn3)CC2)CCCNC1 ZINC000077537522 406995685 /nfs/dbraw/zinc/99/56/85/406995685.db2.gz ZPQSEOKFTMNTDP-QGZVFWFLSA-N 1 3 305.422 1.177 50 0 DDAAHO CN1CCN(CCCC[NH2+]Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000097159407 407284299 /nfs/dbraw/zinc/28/42/99/407284299.db2.gz FQKOWJORFPDYJS-UHFFFAOYSA-N 1 3 307.486 1.824 50 0 DDAAHO CN(C)Cc1ccccc1CNC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000426574997 419511691 /nfs/dbraw/zinc/51/16/91/419511691.db2.gz JWHZKKFBWLOZQS-MRXNPFEDSA-N 1 3 304.438 1.594 50 0 DDAAHO C[C@H](CCNC(=O)N1CCN(c2ccncc2)CC1)[NH+](C)C ZINC000534632474 334307724 /nfs/dbraw/zinc/30/77/24/334307724.db2.gz XYLZEBRJAFBVPY-CQSZACIVSA-N 1 3 305.426 1.253 50 0 DDAAHO CCCN1CCCn2nc(CNC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2C1 ZINC000082097939 192355415 /nfs/dbraw/zinc/35/54/15/192355415.db2.gz JYJCTZXPASEILW-UONOGXRCSA-N 1 3 319.453 1.242 50 0 DDAAHO COc1cccc(CN2CCC[C@](O)(C[NH+](C)C)CC2)c1OC ZINC000072174267 191070956 /nfs/dbraw/zinc/07/09/56/191070956.db2.gz ILDIXOJFIITVPV-GOSISDBHSA-N 1 3 322.449 1.982 50 0 DDAAHO COc1cc(C[NH2+]C[C@H]2CCCN(C)C2)cc2c1OCCO2 ZINC000068722560 406659711 /nfs/dbraw/zinc/65/97/11/406659711.db2.gz SUEVHPTUQRTDAX-CYBMUJFWSA-N 1 3 306.406 1.898 50 0 DDAAHO C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ccncc2)CC1 ZINC000095378677 407211208 /nfs/dbraw/zinc/21/12/08/407211208.db2.gz DGARNVXGEGSYST-INIZCTEOSA-N 1 3 316.449 1.995 50 0 DDAAHO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCN(c2ccncc2)CC1 ZINC000095378677 407211209 /nfs/dbraw/zinc/21/12/09/407211209.db2.gz DGARNVXGEGSYST-INIZCTEOSA-N 1 3 316.449 1.995 50 0 DDAAHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H](C[NH3+])C3)cc2)CC1 ZINC000178553274 407491027 /nfs/dbraw/zinc/49/10/27/407491027.db2.gz FBPYJMZYHCRGPB-HNNXBMFYSA-N 1 3 316.449 1.249 50 0 DDAAHO C[NH+](C)CCc1ccc(NC(=O)[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000585120858 422307385 /nfs/dbraw/zinc/30/73/85/422307385.db2.gz QSARNKZVFQFLLV-IAGOWNOFSA-N 1 3 317.433 1.592 50 0 DDAAHO NC(=O)C1CCN(C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000000220898 406634398 /nfs/dbraw/zinc/63/43/98/406634398.db2.gz SVOVWDMINMSZQW-UHFFFAOYSA-N 1 3 315.461 1.891 50 0 DDAAHO CN1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](CC1CC1)CC2 ZINC000257181993 407484669 /nfs/dbraw/zinc/48/46/69/407484669.db2.gz OICMCBLDAGPNBJ-MRXNPFEDSA-N 1 3 321.465 1.042 50 0 DDAAHO CSc1nc(N)cc(NCC2([NH+](C)C)CCN(C)CC2)n1 ZINC000824952212 759216545 /nfs/dbraw/zinc/21/65/45/759216545.db2.gz NASRSSQPBJAOMJ-UHFFFAOYSA-N 1 3 310.471 1.219 50 0 DDAAHO CN1CC2(C[C@@H]1C(=O)NC1Cc3ccccc3C1)CC[NH2+]CC2 ZINC000072433320 406883305 /nfs/dbraw/zinc/88/33/05/406883305.db2.gz GRCIZVSHDCCZQK-QGZVFWFLSA-N 1 3 313.445 1.344 50 0 DDAAHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@H]3CCOC3)c2)C1 ZINC000246203727 408175376 /nfs/dbraw/zinc/17/53/76/408175376.db2.gz JMQCDLHMEOLJFJ-IRXDYDNUSA-N 1 3 317.433 1.262 50 0 DDAAHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@H]3CCOC3)c2)C1 ZINC000246203727 408175381 /nfs/dbraw/zinc/17/53/81/408175381.db2.gz JMQCDLHMEOLJFJ-IRXDYDNUSA-N 1 3 317.433 1.262 50 0 DDAAHO Cc1nc2ccc(C[NH2+][C@H](C)CN3CCN(C)CC3)cc2[nH]1 ZINC000823789094 758362470 /nfs/dbraw/zinc/36/24/70/758362470.db2.gz DJYHIHMLLZLGGX-CYBMUJFWSA-N 1 3 301.438 1.597 50 0 DDAAHO CC(C)CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(CCN(C)C)C1=O ZINC000067695946 407280285 /nfs/dbraw/zinc/28/02/85/407280285.db2.gz BYIRTSWTQQREEF-QGZVFWFLSA-N 1 3 324.469 1.274 50 0 DDAAHO C[N@@H+]1CC[C@H](C(=O)NCCN2CCC(c3ccccc3)CC2)C1 ZINC000097480278 407298600 /nfs/dbraw/zinc/29/86/00/407298600.db2.gz YWOSWCFBQBDIKE-SFHVURJKSA-N 1 3 315.461 1.934 50 0 DDAAHO C[N@H+]1CC[C@H](C(=O)NCCN2CCC(c3ccccc3)CC2)C1 ZINC000097480278 407298602 /nfs/dbraw/zinc/29/86/02/407298602.db2.gz YWOSWCFBQBDIKE-SFHVURJKSA-N 1 3 315.461 1.934 50 0 DDAAHO C[NH+](C)Cc1cccc(C(=O)NCCN2CCCC[C@H]2CO)c1 ZINC000097674093 407301018 /nfs/dbraw/zinc/30/10/18/407301018.db2.gz IYYISURFLLHPNG-KRWDZBQOSA-N 1 3 319.449 1.325 50 0 DDAAHO COCCNCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000237158876 407799407 /nfs/dbraw/zinc/79/94/07/407799407.db2.gz OZWGNPNIAFUYNH-HOTGVXAUSA-N 1 3 311.470 1.335 50 0 DDAAHO COCCNCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000237158876 407799413 /nfs/dbraw/zinc/79/94/13/407799413.db2.gz OZWGNPNIAFUYNH-HOTGVXAUSA-N 1 3 311.470 1.335 50 0 DDAAHO CN1C[C@@H]([NH3+])C[C@H]1C(=O)Nc1ccccc1CN1CCCCC1 ZINC000952986392 721532784 /nfs/dbraw/zinc/53/27/84/721532784.db2.gz LNJGXATZFLKKBB-RDJZCZTQSA-N 1 3 316.449 1.642 50 0 DDAAHO [NH3+][C@H]1C[C@@H](c2cc(N3CCN(CC4CCC4)CC3)ncn2)C1 ZINC000244707841 407930770 /nfs/dbraw/zinc/93/07/70/407930770.db2.gz KIMTYAZEMXWORM-GASCZTMLSA-N 1 3 301.438 1.603 50 0 DDAAHO [NH3+][C@@H]1CCN(Cc2cc(CN3CCCCC3)cs2)C[C@H]1O ZINC000082109187 192358637 /nfs/dbraw/zinc/35/86/37/192358637.db2.gz CFGIUUCLFQHBLH-HZPDHXFCSA-N 1 3 309.479 1.628 50 0 DDAAHO O[C@]1(CN2CCC3(CNc4ccccc43)CC2)CCC[NH2+]C1 ZINC000072425675 285376059 /nfs/dbraw/zinc/37/60/59/285376059.db2.gz DSCXNUTZLAEISV-GOSISDBHSA-N 1 3 301.434 1.560 50 0 DDAAHO CC(C)CN1CCN(C[C@]2(O)CCC[N@@H+]3CCCC[C@@H]32)CC1 ZINC000063846654 407236679 /nfs/dbraw/zinc/23/66/79/407236679.db2.gz HMFSLEMWJFSVPF-QZTJIDSGSA-N 1 3 309.498 1.639 50 0 DDAAHO CC(C)CN1CCN(C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)CC1 ZINC000063846654 407236681 /nfs/dbraw/zinc/23/66/81/407236681.db2.gz HMFSLEMWJFSVPF-QZTJIDSGSA-N 1 3 309.498 1.639 50 0 DDAAHO Cc1cc(N2CCN(Cc3ccccc3)C[C@@H](O)C2)nc(N)n1 ZINC000108260376 407382957 /nfs/dbraw/zinc/38/29/57/407382957.db2.gz NNOMAQKYWJMTPL-OAHLLOKOSA-N 1 3 313.405 1.050 50 0 DDAAHO Cc1cc(N2CC[N@H+](Cc3ccccc3)C[C@@H](O)C2)nc(N)n1 ZINC000108260376 407382958 /nfs/dbraw/zinc/38/29/58/407382958.db2.gz NNOMAQKYWJMTPL-OAHLLOKOSA-N 1 3 313.405 1.050 50 0 DDAAHO Cc1cc(N2CC[N@@H+](Cc3ccccc3)C[C@@H](O)C2)nc(N)n1 ZINC000108260376 407382959 /nfs/dbraw/zinc/38/29/59/407382959.db2.gz NNOMAQKYWJMTPL-OAHLLOKOSA-N 1 3 313.405 1.050 50 0 DDAAHO Cc1c[nH+]ccc1N1CCCN(C(=O)[C@H](N)CC(C)C)CC1 ZINC000071735809 292980279 /nfs/dbraw/zinc/98/02/79/292980279.db2.gz UUFZIIJDGXNCNA-OAHLLOKOSA-N 1 3 304.438 1.802 50 0 DDAAHO C[C@@](O)(C[C@@H](O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000952877178 775628055 /nfs/dbraw/zinc/62/80/55/775628055.db2.gz MFDWFMYNXQRVIC-OQIJWPOYSA-N 1 3 318.461 1.573 50 0 DDAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3scnc3C)CC[C@H]21 ZINC000072481590 191180649 /nfs/dbraw/zinc/18/06/49/191180649.db2.gz MXEISOLPYXEQRP-UONOGXRCSA-N 1 3 322.478 1.484 50 0 DDAAHO CC(=O)NCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@@H]12 ZINC000252587664 354384463 /nfs/dbraw/zinc/38/44/63/354384463.db2.gz ZSFRRKZHEZIXGS-KZNAEPCWSA-N 1 3 301.434 1.623 50 0 DDAAHO CC(=O)NCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000252587664 354384466 /nfs/dbraw/zinc/38/44/66/354384466.db2.gz ZSFRRKZHEZIXGS-KZNAEPCWSA-N 1 3 301.434 1.623 50 0 DDAAHO CC(=O)NCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000252587664 354384468 /nfs/dbraw/zinc/38/44/68/354384468.db2.gz ZSFRRKZHEZIXGS-KZNAEPCWSA-N 1 3 301.434 1.623 50 0 DDAAHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@@H]([NH3+])C3)CC2)c1 ZINC000237718679 202338959 /nfs/dbraw/zinc/33/89/59/202338959.db2.gz SHCBPDDCRIIAIJ-MRXNPFEDSA-N 1 3 316.449 1.067 50 0 DDAAHO c1ccc(-c2nc3c(c(N[C@H]4CCC[NH2+]C4)n2)CCNC3)cc1 ZINC000067676338 407279229 /nfs/dbraw/zinc/27/92/29/407279229.db2.gz GKSIGNWSRFNYSE-AWEZNQCLSA-N 1 3 309.417 1.953 50 0 DDAAHO CCCC[C@H]([NH3+])C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000195554265 354296955 /nfs/dbraw/zinc/29/69/55/354296955.db2.gz ODHVPDSZISEVSY-CVEARBPZSA-N 1 3 310.486 1.132 50 0 DDAAHO CC[N@@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(F)(F)F ZINC000065516604 285242932 /nfs/dbraw/zinc/24/29/32/285242932.db2.gz UMQUFFNVRGCQJA-GFCCVEGCSA-N 1 3 309.376 1.813 50 0 DDAAHO CC[N@H+]1CCC[C@@H]1CN(CCN(C)C)C(=O)CC(F)(F)F ZINC000065516604 285242934 /nfs/dbraw/zinc/24/29/34/285242934.db2.gz UMQUFFNVRGCQJA-GFCCVEGCSA-N 1 3 309.376 1.813 50 0 DDAAHO CN(C)C(=O)C[NH2+]CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000069597902 406743606 /nfs/dbraw/zinc/74/36/06/406743606.db2.gz SRATZCJDDDLCQE-QGZVFWFLSA-N 1 3 319.449 1.110 50 0 DDAAHO c1nc(N2CCCC2)sc1CN1CCC2(CC1)C[NH2+]CCO2 ZINC000426667367 419528072 /nfs/dbraw/zinc/52/80/72/419528072.db2.gz JZMFMJRTHPSGFD-UHFFFAOYSA-N 1 3 322.478 1.698 50 0 DDAAHO CCO[C@@H]1C[C@@](N)(C(=O)NC[C@H]([NH3+])c2ccccc2)C1(C)C ZINC000262822778 407947586 /nfs/dbraw/zinc/94/75/86/407947586.db2.gz YSDSBESULOPBAH-JJRVBVJISA-N 1 3 305.422 1.335 50 0 DDAAHO COc1ccc(C2(CNC[C@@]3(O)CC[NH2+]C3)CCCC2)cc1 ZINC000072476443 191178544 /nfs/dbraw/zinc/17/85/44/191178544.db2.gz YOLSSWDUWHGTEG-GOSISDBHSA-N 1 3 304.434 1.821 50 0 DDAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(CCC(F)(F)F)CC[C@H]21 ZINC000072407932 406882186 /nfs/dbraw/zinc/88/21/86/406882186.db2.gz KIOBWUCONJLNGU-NWDGAFQWSA-N 1 3 307.360 1.471 50 0 DDAAHO CCC[NH+]1CCC(N2CCN(C(=O)[C@@H](N)CC(C)C)CC2)CC1 ZINC000225490423 407590509 /nfs/dbraw/zinc/59/05/09/407590509.db2.gz RHVNWCSICHHRBL-KRWDZBQOSA-N 1 3 324.513 1.378 50 0 DDAAHO CCO[C@@H]1C[C@](N)(C(=O)NC[C@H]([NH3+])c2ccccc2)C1(C)C ZINC000262822780 407948529 /nfs/dbraw/zinc/94/85/29/407948529.db2.gz YSDSBESULOPBAH-VBQJREDUSA-N 1 3 305.422 1.335 50 0 DDAAHO CC[NH+](CC)CCNC(=O)C1CCN(Cc2cccnc2)CC1 ZINC000022241634 535528972 /nfs/dbraw/zinc/52/89/72/535528972.db2.gz ONKWOGILDKLZCX-UHFFFAOYSA-N 1 3 318.465 1.752 50 0 DDAAHO C[N@@H+]1CCCN(c2nc(-c3cccnc3)nc3c2CCNC3)CC1 ZINC000071749526 191021997 /nfs/dbraw/zinc/02/19/97/191021997.db2.gz AQCDDKYNGUFSBB-UHFFFAOYSA-N 1 3 324.432 1.326 50 0 DDAAHO C[N@H+]1CCCN(c2nc(-c3cccnc3)nc3c2CCNC3)CC1 ZINC000071749526 191022000 /nfs/dbraw/zinc/02/20/00/191022000.db2.gz AQCDDKYNGUFSBB-UHFFFAOYSA-N 1 3 324.432 1.326 50 0 DDAAHO Cc1ncc2c(c1CNC(=O)C[C@H]1CCCC[N@H+]1C)CCNC2 ZINC000072447666 191169077 /nfs/dbraw/zinc/16/90/77/191169077.db2.gz OIWWFFNNIFNGGT-OAHLLOKOSA-N 1 3 316.449 1.526 50 0 DDAAHO Cc1ncc2c(c1CNC(=O)C[C@H]1CCCC[N@@H+]1C)CCNC2 ZINC000072447666 191169078 /nfs/dbraw/zinc/16/90/78/191169078.db2.gz OIWWFFNNIFNGGT-OAHLLOKOSA-N 1 3 316.449 1.526 50 0 DDAAHO Cc1nn(C)c(Cl)c1CNCC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069349940 406700032 /nfs/dbraw/zinc/70/00/32/406700032.db2.gz YBJVKTNPDXLAJM-LLVKDONJSA-N 1 3 314.861 1.564 50 0 DDAAHO O[C@@]1(C[NH+]2CCC(OCc3ccccn3)CC2)CCCNC1 ZINC000077537519 406996003 /nfs/dbraw/zinc/99/60/03/406996003.db2.gz ZPQSEOKFTMNTDP-KRWDZBQOSA-N 1 3 305.422 1.177 50 0 DDAAHO O[C@@]1(CNCCCOc2cccnc2)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063869894 407236091 /nfs/dbraw/zinc/23/60/91/407236091.db2.gz OIBUYDHVUMUWMA-QZTJIDSGSA-N 1 3 319.449 1.820 50 0 DDAAHO O[C@@]1(CNCCCOc2cccnc2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063869894 407236093 /nfs/dbraw/zinc/23/60/93/407236093.db2.gz OIBUYDHVUMUWMA-QZTJIDSGSA-N 1 3 319.449 1.820 50 0 DDAAHO CN(C)C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1CO ZINC000092019468 193143365 /nfs/dbraw/zinc/14/33/65/193143365.db2.gz REKXVIBYDLYBAD-ZIAGYGMSSA-N 1 3 314.376 1.890 50 0 DDAAHO CN(C)C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)cc2)C[C@@H]1CO ZINC000092019468 193143367 /nfs/dbraw/zinc/14/33/67/193143367.db2.gz REKXVIBYDLYBAD-ZIAGYGMSSA-N 1 3 314.376 1.890 50 0 DDAAHO CN(C)CCNC(=O)CCC1CC[NH+]([C@H]2CCSC2)CC1 ZINC000012575399 406848154 /nfs/dbraw/zinc/84/81/54/406848154.db2.gz VBKGRVSVVHHROK-HNNXBMFYSA-N 1 3 313.511 1.662 50 0 DDAAHO CN(c1ncnc2sc3c(c21)CC[NH2+]C3)[C@@H]1CCN(C)C1 ZINC000065508637 407244195 /nfs/dbraw/zinc/24/41/95/407244195.db2.gz CMWNXXGKLIKNHS-SNVBAGLBSA-N 1 3 303.435 1.477 50 0 DDAAHO C[N@H+](CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000106905441 407365674 /nfs/dbraw/zinc/36/56/74/407365674.db2.gz PFNLCJYZYJYSNF-HOTGVXAUSA-N 1 3 324.469 1.023 50 0 DDAAHO C[N@@H+](CCNC(=O)NC[C@H]1CN2CCC[C@H]2CO1)C1CCCC1 ZINC000106905441 407365676 /nfs/dbraw/zinc/36/56/76/407365676.db2.gz PFNLCJYZYJYSNF-HOTGVXAUSA-N 1 3 324.469 1.023 50 0 DDAAHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@@]3(C2)CCCOC3)CC1 ZINC000375300980 307220993 /nfs/dbraw/zinc/22/09/93/307220993.db2.gz DKTLVHYOULQGCU-GOSISDBHSA-N 1 3 323.481 1.478 50 0 DDAAHO CSCC[C@H](N)C(=O)NCC1([NH+]2CCCCC2)CCCC1 ZINC000670453401 484840445 /nfs/dbraw/zinc/84/04/45/484840445.db2.gz RKISROOQIXNYIJ-AWEZNQCLSA-N 1 3 313.511 1.982 50 0 DDAAHO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000237477325 186295256 /nfs/dbraw/zinc/29/52/56/186295256.db2.gz HLIFBWOZVIGDIG-LSDHHAIUSA-N 1 3 319.449 1.826 50 0 DDAAHO Fc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)ccc1-n1cncn1 ZINC000042229069 183244778 /nfs/dbraw/zinc/24/47/78/183244778.db2.gz FVQAURRZDFDWTP-AWEZNQCLSA-N 1 3 315.396 1.980 50 0 DDAAHO CCN1CCN(c2ccc(C(=O)N3CCN[C@@H](C)C3)cc2)CC1 ZINC000236994221 257239483 /nfs/dbraw/zinc/23/94/83/257239483.db2.gz SWZRWEKAZXHEBJ-HNNXBMFYSA-N 1 3 316.449 1.262 50 0 DDAAHO CC[NH+]1CCN(c2ccc(C(=O)N3CCN[C@@H](C)C3)cc2)CC1 ZINC000236994221 257239485 /nfs/dbraw/zinc/23/94/85/257239485.db2.gz SWZRWEKAZXHEBJ-HNNXBMFYSA-N 1 3 316.449 1.262 50 0 DDAAHO C[C@H]1C[C@H](Nc2cc(C(N)=O)ccc2CN(C)C)C[N@@H+]1C1CC1 ZINC000097034042 407275922 /nfs/dbraw/zinc/27/59/22/407275922.db2.gz BOCJQDLNPGIMHA-WFASDCNBSA-N 1 3 316.449 1.884 50 0 DDAAHO C[C@H]1C[C@H](Nc2cc(C(N)=O)ccc2CN(C)C)C[N@H+]1C1CC1 ZINC000097034042 407275923 /nfs/dbraw/zinc/27/59/23/407275923.db2.gz BOCJQDLNPGIMHA-WFASDCNBSA-N 1 3 316.449 1.884 50 0 DDAAHO CC(C)N1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000097228886 407288838 /nfs/dbraw/zinc/28/88/38/407288838.db2.gz OUNKLPQQGQYHMW-MRXNPFEDSA-N 1 3 316.449 1.390 50 0 DDAAHO CCN1CCN(c2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cc2)CC1 ZINC000132444041 196255743 /nfs/dbraw/zinc/25/57/43/196255743.db2.gz VBKPQKUICPTYCA-OAHLLOKOSA-N 1 3 302.422 1.002 50 0 DDAAHO CN(CCN(C)C1CC1)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000408517938 289185556 /nfs/dbraw/zinc/18/55/56/289185556.db2.gz PUEDJCWJNVLTPB-UHFFFAOYSA-N 1 3 303.450 1.957 50 0 DDAAHO COCCNCc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000012703256 696051673 /nfs/dbraw/zinc/05/16/73/696051673.db2.gz YNURPUSSBGYQCA-QGZVFWFLSA-N 1 3 322.449 1.648 50 0 DDAAHO O[C@@]1(CNCC2(c3cccc(F)c3)CCOCC2)CC[NH2+]C1 ZINC000077300298 406983692 /nfs/dbraw/zinc/98/36/92/406983692.db2.gz QLHJLAAJEONKAW-KRWDZBQOSA-N 1 3 308.397 1.188 50 0 DDAAHO c1ccc(OCCN2CCN(C[C@H]3[C@@H]4C[NH2+]C[C@H]34)CC2)cc1 ZINC000102851092 407327695 /nfs/dbraw/zinc/32/76/95/407327695.db2.gz AMQBZGYXAYQBOW-PIIMJCKOSA-N 1 3 301.434 1.148 50 0 DDAAHO C[NH+](C)CC(C)(C)Cn1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072473517 191175171 /nfs/dbraw/zinc/17/51/71/191175171.db2.gz YTFCPJVOBJNGCP-UHFFFAOYSA-N 1 3 316.453 1.828 50 0 DDAAHO C[NH+](C)CC(C)(C)CNC[C@H](O)COCc1ccccc1F ZINC000003418422 181016908 /nfs/dbraw/zinc/01/69/08/181016908.db2.gz ZHRBKEKUFIDKDP-HNNXBMFYSA-N 1 3 312.429 1.881 50 0 DDAAHO [NH3+]C1CCN(c2nc(-c3ccccn3)nc3c2CCNC3)CC1 ZINC000072146023 406874038 /nfs/dbraw/zinc/87/40/38/406874038.db2.gz KQGONIAGMMVRLP-UHFFFAOYSA-N 1 3 310.405 1.112 50 0 DDAAHO c1ccc(CN2CC[C@@H](Nc3ncnc4c3CC[NH2+]CC4)C2)cc1 ZINC000072424923 191160448 /nfs/dbraw/zinc/16/04/48/191160448.db2.gz RXVODOSSSACWSG-MRXNPFEDSA-N 1 3 323.444 1.851 50 0 DDAAHO O=C(CN1CCCCCC1)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000584890005 354792713 /nfs/dbraw/zinc/79/27/13/354792713.db2.gz XYVIPMZHNUDTAW-UHFFFAOYSA-N 1 3 323.481 1.312 50 0 DDAAHO CC1(C[NH2+]Cc2ccccc2CN2CCC(O)CC2)COC1 ZINC000352751338 285275633 /nfs/dbraw/zinc/27/56/33/285275633.db2.gz UFMHVHDSNKXMJV-UHFFFAOYSA-N 1 3 304.434 1.769 50 0 DDAAHO c1cc2c(cc1CN1CCC3(CC1)C[NH2+]CCO3)OCCO2 ZINC000426490490 419484892 /nfs/dbraw/zinc/48/48/92/419484892.db2.gz YOEDXHJNFJSELK-UHFFFAOYSA-N 1 3 304.390 1.412 50 0 DDAAHO COc1cccc(CN2CCC[C@H](CO)C2)c1OCC[NH+](C)C ZINC000215772835 295297078 /nfs/dbraw/zinc/29/70/78/295297078.db2.gz SPXWQGJXFYLOKO-HNNXBMFYSA-N 1 3 322.449 1.840 50 0 DDAAHO C[C@@H](N)C(=O)N(C)C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000237441885 186289410 /nfs/dbraw/zinc/28/94/10/186289410.db2.gz XLQUFWXWDGZVQP-RBSFLKMASA-N 1 3 303.450 1.949 50 0 DDAAHO CCN(CC)C[C@H](O)C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000058078769 184073513 /nfs/dbraw/zinc/07/35/13/184073513.db2.gz KREUHZLWRFCVJP-LJQANCHMSA-N 1 3 319.493 1.943 50 0 DDAAHO O=C(NC1CC1)[C@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC000012302809 406841099 /nfs/dbraw/zinc/84/10/99/406841099.db2.gz GLKNVPGJIKUCKK-HNNXBMFYSA-N 1 3 305.466 1.851 50 0 DDAAHO [NH3+][C@H]1C[C@@H](c2cc(N3CCN(c4ccncc4)CC3)ncn2)C1 ZINC000252537301 408804795 /nfs/dbraw/zinc/80/47/95/408804795.db2.gz KXQXQVAWFJKWLS-OKILXGFUSA-N 1 3 310.405 1.403 50 0 DDAAHO C[C@H]1CCN(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000408517194 418806735 /nfs/dbraw/zinc/80/67/35/418806735.db2.gz CBRDNZPRMVHBQL-HNNXBMFYSA-N 1 3 311.470 1.288 50 0 DDAAHO C[C@H](CCc1ncnn1-c1ccncc1)[NH+]1CCN(C)CC1 ZINC000823789446 758361481 /nfs/dbraw/zinc/36/14/81/758361481.db2.gz QKIWHKJJMUPSII-CQSZACIVSA-N 1 3 300.410 1.231 50 0 DDAAHO COC(=O)c1ccc(CN2CCC[C@](O)(C[NH+](C)C)CC2)cc1 ZINC000072143923 191050610 /nfs/dbraw/zinc/05/06/10/191050610.db2.gz LIUKVYCWFGHMQI-GOSISDBHSA-N 1 3 320.433 1.752 50 0 DDAAHO CCn1c(CNCC2CC[NH+](CCO)CC2)nc2ccccc21 ZINC000069385866 406706656 /nfs/dbraw/zinc/70/66/56/406706656.db2.gz QCUONXNWODRELO-UHFFFAOYSA-N 1 3 316.449 1.850 50 0 DDAAHO C[C@@H]1CNCCN1C(=O)[C@@H]1CCC[N@H+](Cc2cccc(F)c2)C1 ZINC000125290207 407384464 /nfs/dbraw/zinc/38/44/64/407384464.db2.gz CTTZLWTUTSQGIK-GDBMZVCRSA-N 1 3 319.424 1.858 50 0 DDAAHO C[C@@H]1CNCCN1C(=O)[C@@H]1CCC[N@@H+](Cc2cccc(F)c2)C1 ZINC000125290207 407384465 /nfs/dbraw/zinc/38/44/65/407384465.db2.gz CTTZLWTUTSQGIK-GDBMZVCRSA-N 1 3 319.424 1.858 50 0 DDAAHO c1ccc(OCCN2CCCCC2)c(CN2CC[NH2+]CC2)c1 ZINC000219254190 407527728 /nfs/dbraw/zinc/52/77/28/407527728.db2.gz BTTRUESVLVHTKL-UHFFFAOYSA-N 1 3 303.450 1.957 50 0 DDAAHO Cc1nc(N)nc(NCC2(N(C)C)CC[NH+](C)CC2)c1Cl ZINC000823759532 758348763 /nfs/dbraw/zinc/34/87/63/758348763.db2.gz RNSXCDKINWWMML-UHFFFAOYSA-N 1 3 312.849 1.459 50 0 DDAAHO CCn1c(C2CC[NH2+]CC2)nn(C[C@@H]2CCCCN2C)c1=O ZINC000065420250 184341638 /nfs/dbraw/zinc/34/16/38/184341638.db2.gz URTMHOBZUPUMHU-AWEZNQCLSA-N 1 3 307.442 1.016 50 0 DDAAHO C[C@@H](CCc1ncnn1-c1ccncc1)[NH+]1CCN(C)CC1 ZINC000823789444 758363180 /nfs/dbraw/zinc/36/31/80/758363180.db2.gz QKIWHKJJMUPSII-AWEZNQCLSA-N 1 3 300.410 1.231 50 0 DDAAHO N[C@@H]1CCCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000082155696 192361913 /nfs/dbraw/zinc/36/19/13/192361913.db2.gz NTALLDXHUGAHEC-QGZVFWFLSA-N 1 3 301.434 1.775 50 0 DDAAHO N[C@@H]1CCCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000082155696 192361914 /nfs/dbraw/zinc/36/19/14/192361914.db2.gz NTALLDXHUGAHEC-QGZVFWFLSA-N 1 3 301.434 1.775 50 0 DDAAHO CC[C@@H]1CCCCN1CC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000584889674 354792694 /nfs/dbraw/zinc/79/26/94/354792694.db2.gz UVPANOUVCZTXBW-OAHLLOKOSA-N 1 3 311.470 1.166 50 0 DDAAHO COc1cc(CN[C@@H]2CC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000065394384 184334869 /nfs/dbraw/zinc/33/48/69/184334869.db2.gz YYTYLEHFNYVXEX-MRXNPFEDSA-N 1 3 319.449 1.621 50 0 DDAAHO C[NH+](C)CC(C)(C)CNC[C@@H](O)COCc1ccccc1F ZINC000003418424 181016873 /nfs/dbraw/zinc/01/68/73/181016873.db2.gz ZHRBKEKUFIDKDP-OAHLLOKOSA-N 1 3 312.429 1.881 50 0 DDAAHO COc1cc(CN[C@H]2CC[NH2+]C2)ccc1OCCN1CCCC1 ZINC000065394385 184334734 /nfs/dbraw/zinc/33/47/34/184334734.db2.gz YYTYLEHFNYVXEX-INIZCTEOSA-N 1 3 319.449 1.621 50 0 DDAAHO CCC[NH+]1CCC(Cc2noc(C[C@@H]3CNCCO3)n2)CC1 ZINC000067769540 407283662 /nfs/dbraw/zinc/28/36/62/407283662.db2.gz ZERRHWADCYVPDU-CQSZACIVSA-N 1 3 308.426 1.265 50 0 DDAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccon1)CC[NH+](C)CC2 ZINC000072419020 696393753 /nfs/dbraw/zinc/39/37/53/696393753.db2.gz KJVQUJRVAFSJBP-OAHLLOKOSA-N 1 3 320.437 1.487 50 0 DDAAHO CC[C@@H](C(=O)N1CCC([NH+]2CCC(O)CC2)CC1)N(C)CC ZINC000822544821 758222071 /nfs/dbraw/zinc/22/20/71/758222071.db2.gz FKXDNYVWCABIOW-INIZCTEOSA-N 1 3 311.470 1.164 50 0 DDAAHO O[C@@H](C[NH+]1CCC(CNCc2cc[nH]n2)CC1)c1ccccc1 ZINC000069490780 285301044 /nfs/dbraw/zinc/30/10/44/285301044.db2.gz KTOZFVQMWXGKRB-SFHVURJKSA-N 1 3 314.433 1.945 50 0 DDAAHO C[NH2+][C@@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000133328357 407829823 /nfs/dbraw/zinc/82/98/23/407829823.db2.gz UBECRBYKPUVOSE-CQSZACIVSA-N 1 3 305.422 1.451 50 0 DDAAHO C[NH+](C)CC1(O)CCN([C@H]2CCN(c3ccccc3)C2)CC1 ZINC000670435502 484827279 /nfs/dbraw/zinc/82/72/79/484827279.db2.gz DSDNGWBXSXKJJL-KRWDZBQOSA-N 1 3 303.450 1.654 50 0 DDAAHO Cc1ncc(CN2CCC[C@@H](CNC(=O)C3([NH3+])CCCC3)C2)[nH]1 ZINC000067920826 696365343 /nfs/dbraw/zinc/36/53/43/696365343.db2.gz OCKABOKWCUGHOU-AWEZNQCLSA-N 1 3 319.453 1.318 50 0 DDAAHO Cc1ccccc1OC1CCN(C(=O)[C@@H](N)CCCC[NH3+])CC1 ZINC000082166571 185174448 /nfs/dbraw/zinc/17/44/48/185174448.db2.gz FKGPSOMBJVRKPH-INIZCTEOSA-N 1 3 319.449 1.821 50 0 DDAAHO COC1(c2ccccc2)CC[NH+](C[C@@]2(O)CCCNC2)CC1 ZINC000072422856 191158911 /nfs/dbraw/zinc/15/89/11/191158911.db2.gz IUPHRYVUMVILRE-QGZVFWFLSA-N 1 3 304.434 1.739 50 0 DDAAHO Cc1ccc2[nH]c(CCC[NH2+]C[C@]3(O)CCCNC3)nc2c1C ZINC000072478048 191179971 /nfs/dbraw/zinc/17/99/71/191179971.db2.gz JQOPLHYGRKBDNY-GOSISDBHSA-N 1 3 316.449 1.816 50 0 DDAAHO O=C(NCc1ccccn1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000082092647 407081198 /nfs/dbraw/zinc/08/11/98/407081198.db2.gz HQOFHZCAKOZAOU-AWEZNQCLSA-N 1 3 302.422 1.162 50 0 DDAAHO O=C(NCc1ccccn1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000082092647 407081200 /nfs/dbraw/zinc/08/12/00/407081200.db2.gz HQOFHZCAKOZAOU-AWEZNQCLSA-N 1 3 302.422 1.162 50 0 DDAAHO O=C(NCc1ccccn1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000082092647 407081201 /nfs/dbraw/zinc/08/12/01/407081201.db2.gz HQOFHZCAKOZAOU-AWEZNQCLSA-N 1 3 302.422 1.162 50 0 DDAAHO CCN1CCN(c2ccc(C(=O)N3CC[C@H]([NH3+])C3)cc2)CC1 ZINC000132443887 196256359 /nfs/dbraw/zinc/25/63/59/196256359.db2.gz VBKPQKUICPTYCA-HNNXBMFYSA-N 1 3 302.422 1.002 50 0 DDAAHO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000237609984 278381875 /nfs/dbraw/zinc/38/18/75/278381875.db2.gz YJXVBIAGLJADIN-ULQDDVLXSA-N 1 3 322.497 1.146 50 0 DDAAHO COCCC[N@@H+]1CC[C@H](CNC2CSCCSC2)C1 ZINC000952980888 721531713 /nfs/dbraw/zinc/53/17/13/721531713.db2.gz RWCBGHJWJFYYJB-CYBMUJFWSA-N 1 3 304.525 1.783 50 0 DDAAHO COCCC[N@H+]1CC[C@H](CNC2CSCCSC2)C1 ZINC000952980888 721531716 /nfs/dbraw/zinc/53/17/16/721531716.db2.gz RWCBGHJWJFYYJB-CYBMUJFWSA-N 1 3 304.525 1.783 50 0 DDAAHO COCCCN1CC[C@H](C[NH2+]C2CSCCSC2)C1 ZINC000952980888 721531710 /nfs/dbraw/zinc/53/17/10/721531710.db2.gz RWCBGHJWJFYYJB-CYBMUJFWSA-N 1 3 304.525 1.783 50 0 DDAAHO COC(=O)c1ccc(CN2CCC[C@@](O)(C[NH+](C)C)CC2)cc1 ZINC000072143921 191050784 /nfs/dbraw/zinc/05/07/84/191050784.db2.gz LIUKVYCWFGHMQI-SFHVURJKSA-N 1 3 320.433 1.752 50 0 DDAAHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000237432146 202263555 /nfs/dbraw/zinc/26/35/55/202263555.db2.gz YJXVBIAGLJADIN-ZACQAIPSSA-N 1 3 322.497 1.146 50 0 DDAAHO C[NH+](C)CCCNC[C@@H](O)CO[C@H]1CCCc2ccccc21 ZINC000006936240 406745255 /nfs/dbraw/zinc/74/52/55/406745255.db2.gz DBAGOYSKCLDZMW-AEFFLSMTSA-N 1 3 306.450 1.983 50 0 DDAAHO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)CN2CCCN(C)CC2)C1 ZINC000067770495 407283672 /nfs/dbraw/zinc/28/36/72/407283672.db2.gz DPCPQNJKIIFUEK-KRWDZBQOSA-N 1 3 324.513 1.108 50 0 DDAAHO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CN2CCCN(C)CC2)C1 ZINC000067770495 407283675 /nfs/dbraw/zinc/28/36/75/407283675.db2.gz DPCPQNJKIIFUEK-KRWDZBQOSA-N 1 3 324.513 1.108 50 0 DDAAHO Cc1nc(NCCN2CCC[C@@H](O)C2)cc(C2CC[NH2+]CC2)n1 ZINC000067847546 407287356 /nfs/dbraw/zinc/28/73/56/407287356.db2.gz QVEGCGBGYIBMQE-OAHLLOKOSA-N 1 3 319.453 1.121 50 0 DDAAHO [NH3+]CCc1ccc(CN2CCC3(CC2)OCCC[C@@H]3O)cc1 ZINC000215860871 407491022 /nfs/dbraw/zinc/49/10/22/407491022.db2.gz VUTINTFKBYOKRP-KRWDZBQOSA-N 1 3 304.434 1.694 50 0 DDAAHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178562907 407492951 /nfs/dbraw/zinc/49/29/51/407492951.db2.gz GQZAZNWPCWZWLS-GFCCVEGCSA-N 1 3 301.390 1.915 50 0 DDAAHO CN(CC[NH+](C)C)c1nc(CC2CC2)nc2c1CCN(C)CC2 ZINC000072429040 191161835 /nfs/dbraw/zinc/16/18/35/191161835.db2.gz HGZVVRVZMQFNNX-UHFFFAOYSA-N 1 3 317.481 1.457 50 0 DDAAHO C[C@@H]1C[C@H](N(C)C(=O)C2(N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237584761 407827781 /nfs/dbraw/zinc/82/77/81/407827781.db2.gz AXSZTKLWLYAVCG-GDBMZVCRSA-N 1 3 301.434 1.989 50 0 DDAAHO C[C@@H]1C[C@H](N(C)C(=O)C2(N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000237584761 407827791 /nfs/dbraw/zinc/82/77/91/407827791.db2.gz AXSZTKLWLYAVCG-GDBMZVCRSA-N 1 3 301.434 1.989 50 0 DDAAHO O=C(CNC[C@H]1CCCO1)N1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000167774072 354250331 /nfs/dbraw/zinc/25/03/31/354250331.db2.gz FOVNEYBQTHCBNV-JKSUJKDBSA-N 1 3 309.454 1.232 50 0 DDAAHO CSC[C@@H](C)[NH+]1CCC(CCC(=O)NCCN(C)C)CC1 ZINC000012196883 406839131 /nfs/dbraw/zinc/83/91/31/406839131.db2.gz DOUMKORXDQWLFY-CQSZACIVSA-N 1 3 315.527 1.908 50 0 DDAAHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000253416025 407443426 /nfs/dbraw/zinc/44/34/26/407443426.db2.gz MIRFHXCSFHZCFK-HIFRSBDPSA-N 1 3 311.451 1.154 50 0 DDAAHO C[NH2+]C[C@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000178982078 407679379 /nfs/dbraw/zinc/67/93/79/407679379.db2.gz LOEOXDNAFHMNAV-CQSZACIVSA-N 1 3 305.422 1.309 50 0 DDAAHO CN1CC2(C[C@H]1C(=O)NC1Cc3ccccc3C1)CC[NH2+]CC2 ZINC000072433321 277022853 /nfs/dbraw/zinc/02/28/53/277022853.db2.gz GRCIZVSHDCCZQK-KRWDZBQOSA-N 1 3 313.445 1.344 50 0 DDAAHO CCn1c([C@H]2CCC[N@H+](CC(C)C)C2)nn(CCN(C)C)c1=O ZINC000067982375 696366044 /nfs/dbraw/zinc/36/60/44/696366044.db2.gz NPRRARZIUIORNS-HNNXBMFYSA-N 1 3 323.485 1.462 50 0 DDAAHO CCn1c([C@H]2CCC[N@@H+](CC(C)C)C2)nn(CCN(C)C)c1=O ZINC000067982375 696366045 /nfs/dbraw/zinc/36/60/45/696366045.db2.gz NPRRARZIUIORNS-HNNXBMFYSA-N 1 3 323.485 1.462 50 0 DDAAHO O[C@@]1(C[NH2+]CCc2ccccc2OC(F)(F)F)CCCNC1 ZINC000072408934 191154718 /nfs/dbraw/zinc/15/47/18/191154718.db2.gz NUAWDIQICLXIEB-AWEZNQCLSA-N 1 3 318.339 1.832 50 0 DDAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cccs3)CC[C@H]21 ZINC000072434806 191165471 /nfs/dbraw/zinc/16/54/71/191165471.db2.gz ZJBIYAXGRYSWHC-DZGCQCFKSA-N 1 3 307.463 1.780 50 0 DDAAHO O=C(CNC[C@@H]1CCCO1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167773743 354250417 /nfs/dbraw/zinc/25/04/17/354250417.db2.gz FOVNEYBQTHCBNV-CVEARBPZSA-N 1 3 309.454 1.232 50 0 DDAAHO O=C(CN1CCCCCC1)NCCC[N@H+]1CCCC[C@@H]1CO ZINC000584903089 354801888 /nfs/dbraw/zinc/80/18/88/354801888.db2.gz ZMYOIRMMUSNIKH-MRXNPFEDSA-N 1 3 311.470 1.216 50 0 DDAAHO O=C(CN1CCCCCC1)NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000584903089 354801889 /nfs/dbraw/zinc/80/18/89/354801889.db2.gz ZMYOIRMMUSNIKH-MRXNPFEDSA-N 1 3 311.470 1.216 50 0 DDAAHO O[C@@]1(C[NH+]2CCC(OCc3ccccc3)CC2)CCCNC1 ZINC000077521077 406994536 /nfs/dbraw/zinc/99/45/36/406994536.db2.gz LOQKRFDWHCUGGZ-SFHVURJKSA-N 1 3 304.434 1.782 50 0 DDAAHO COCCNCC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000263271113 408084567 /nfs/dbraw/zinc/08/45/67/408084567.db2.gz OZWGNPNIAFUYNH-HZPDHXFCSA-N 1 3 311.470 1.335 50 0 DDAAHO COCCNCC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000263271113 408084569 /nfs/dbraw/zinc/08/45/69/408084569.db2.gz OZWGNPNIAFUYNH-HZPDHXFCSA-N 1 3 311.470 1.335 50 0 DDAAHO C[C@H](O)C[NH+]1CCC(CNCc2nc3ccccc3n2C)CC1 ZINC000069347327 279564037 /nfs/dbraw/zinc/56/40/37/279564037.db2.gz MIQWLXAOJUCSGA-AWEZNQCLSA-N 1 3 316.449 1.756 50 0 DDAAHO CN1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](C1CCC1)CC2 ZINC000581802880 761709323 /nfs/dbraw/zinc/70/93/23/761709323.db2.gz QWMOHOFADBDCAY-INIZCTEOSA-N 1 3 321.465 1.184 50 0 DDAAHO Cc1ncc2c(c1CNC(=O)C[C@@H]1CCCC[N@H+]1C)CCNC2 ZINC000072447665 191169329 /nfs/dbraw/zinc/16/93/29/191169329.db2.gz OIWWFFNNIFNGGT-HNNXBMFYSA-N 1 3 316.449 1.526 50 0 DDAAHO Cc1ncc2c(c1CNC(=O)C[C@@H]1CCCC[N@@H+]1C)CCNC2 ZINC000072447665 191169332 /nfs/dbraw/zinc/16/93/32/191169332.db2.gz OIWWFFNNIFNGGT-HNNXBMFYSA-N 1 3 316.449 1.526 50 0 DDAAHO O=C(NC1CC1)[C@@H]1CCCN(C2CC[NH+](CC3CC3)CC2)C1 ZINC000012302807 406841168 /nfs/dbraw/zinc/84/11/68/406841168.db2.gz GLKNVPGJIKUCKK-OAHLLOKOSA-N 1 3 305.466 1.851 50 0 DDAAHO O=C(NCCNC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccncc1 ZINC000055242595 407198214 /nfs/dbraw/zinc/19/82/14/407198214.db2.gz WYIZRTZAJFTQBM-DLBZAZTESA-N 1 3 316.449 1.666 50 0 DDAAHO O=C(NCCNC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccncc1 ZINC000055242595 407198215 /nfs/dbraw/zinc/19/82/15/407198215.db2.gz WYIZRTZAJFTQBM-DLBZAZTESA-N 1 3 316.449 1.666 50 0 DDAAHO CN(c1ncnc2sc3c(c21)CC[NH2+]C3)[C@H]1CCN(C)C1 ZINC000065508635 407244135 /nfs/dbraw/zinc/24/41/35/407244135.db2.gz CMWNXXGKLIKNHS-JTQLQIEISA-N 1 3 303.435 1.477 50 0 DDAAHO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)CN2CCCN(C)CC2)C1 ZINC000067770493 407283440 /nfs/dbraw/zinc/28/34/40/407283440.db2.gz DPCPQNJKIIFUEK-QGZVFWFLSA-N 1 3 324.513 1.108 50 0 DDAAHO CC(C)C[N@H+]1CCC[C@H](CNC(=O)CN2CCCN(C)CC2)C1 ZINC000067770493 407283441 /nfs/dbraw/zinc/28/34/41/407283441.db2.gz DPCPQNJKIIFUEK-QGZVFWFLSA-N 1 3 324.513 1.108 50 0 DDAAHO C[NH2+]C1CCN(S(=O)(=O)c2ccc(CN(C)C)cc2)CC1 ZINC000253416072 407443032 /nfs/dbraw/zinc/44/30/32/407443032.db2.gz VPHFVQAXXRSWET-UHFFFAOYSA-N 1 3 311.451 1.121 50 0 DDAAHO C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000237398924 407814939 /nfs/dbraw/zinc/81/49/39/407814939.db2.gz ICTMLYJRBZTMGN-BHYGNILZSA-N 1 3 301.434 1.847 50 0 DDAAHO C[C@H](N)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000237398924 407814945 /nfs/dbraw/zinc/81/49/45/407814945.db2.gz ICTMLYJRBZTMGN-BHYGNILZSA-N 1 3 301.434 1.847 50 0 DDAAHO CCC[N@@H+]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000084755317 484001920 /nfs/dbraw/zinc/00/19/20/484001920.db2.gz GWUYHGWIHBEDEH-UHFFFAOYSA-N 1 3 322.497 1.147 50 0 DDAAHO CCC[N@H+]1CCCN(CC(=O)NC2CCN(C3CC3)CC2)CC1 ZINC000084755317 484001928 /nfs/dbraw/zinc/00/19/28/484001928.db2.gz GWUYHGWIHBEDEH-UHFFFAOYSA-N 1 3 322.497 1.147 50 0 DDAAHO CN1CC2(C[C@@H]1C(=O)N1CCOCC1)CC[NH+](C1CCC1)CC2 ZINC000581802883 761709859 /nfs/dbraw/zinc/70/98/59/761709859.db2.gz QWMOHOFADBDCAY-MRXNPFEDSA-N 1 3 321.465 1.184 50 0 DDAAHO NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCOC3)c2)C1 ZINC000088717445 185263057 /nfs/dbraw/zinc/26/30/57/185263057.db2.gz JMQCDLHMEOLJFJ-IAGOWNOFSA-N 1 3 317.433 1.262 50 0 DDAAHO NC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCOC3)c2)C1 ZINC000088717445 185263058 /nfs/dbraw/zinc/26/30/58/185263058.db2.gz JMQCDLHMEOLJFJ-IAGOWNOFSA-N 1 3 317.433 1.262 50 0 DDAAHO N[C@H]1CCCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000082155694 192361669 /nfs/dbraw/zinc/36/16/69/192361669.db2.gz NTALLDXHUGAHEC-KRWDZBQOSA-N 1 3 301.434 1.775 50 0 DDAAHO N[C@H]1CCCC[N@@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000082155694 192361670 /nfs/dbraw/zinc/36/16/70/192361670.db2.gz NTALLDXHUGAHEC-KRWDZBQOSA-N 1 3 301.434 1.775 50 0 DDAAHO O=C(C[C@H]1CNCCO1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000163853479 186140408 /nfs/dbraw/zinc/14/04/08/186140408.db2.gz RAMWIQTYCPZZDN-KRWDZBQOSA-N 1 3 317.433 1.277 50 0 DDAAHO CCN1CC2(CCN(Cc3cccc(CC[NH3+])c3)CC2)OC1=O ZINC000072436474 191165353 /nfs/dbraw/zinc/16/53/53/191165353.db2.gz QROPCRKLRKMBHK-UHFFFAOYSA-N 1 3 317.433 1.995 50 0 DDAAHO O[C@]1(CNCC2(c3cccc(F)c3)CCOCC2)CC[NH2+]C1 ZINC000077300301 406983063 /nfs/dbraw/zinc/98/30/63/406983063.db2.gz QLHJLAAJEONKAW-QGZVFWFLSA-N 1 3 308.397 1.188 50 0 DDAAHO CC[NH+]1CCC(NC(=O)CN[C@@H](C)[C@@H](C)n2cccn2)CC1 ZINC000069813340 279259881 /nfs/dbraw/zinc/25/98/81/279259881.db2.gz LGJGXECJLUCRIM-UONOGXRCSA-N 1 3 307.442 1.023 50 0 DDAAHO CN1CC2(C[C@@H]1C(=O)NCCOc1ccccc1)CC[NH2+]CC2 ZINC000072477687 191179610 /nfs/dbraw/zinc/17/96/10/191179610.db2.gz DRTRAGKHAFKRKO-MRXNPFEDSA-N 1 3 317.433 1.256 50 0 DDAAHO C[C@H]1C[C@@H](Nc2cc(C(N)=O)ccc2CN(C)C)C[N@@H+]1C1CC1 ZINC000097034044 407276151 /nfs/dbraw/zinc/27/61/51/407276151.db2.gz BOCJQDLNPGIMHA-SWLSCSKDSA-N 1 3 316.449 1.884 50 0 DDAAHO C[C@H]1C[C@@H](Nc2cc(C(N)=O)ccc2CN(C)C)C[N@H+]1C1CC1 ZINC000097034044 407276153 /nfs/dbraw/zinc/27/61/53/407276153.db2.gz BOCJQDLNPGIMHA-SWLSCSKDSA-N 1 3 316.449 1.884 50 0 DDAAHO C[C@@H](CNC(=O)N1CC[C@@H](N2CC=CC2)C1)C[NH+]1CCCC1 ZINC000101385729 407309466 /nfs/dbraw/zinc/30/94/66/407309466.db2.gz UCCIGPJBAHWHOJ-JKSUJKDBSA-N 1 3 306.454 1.374 50 0 DDAAHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000237607040 407828223 /nfs/dbraw/zinc/82/82/23/407828223.db2.gz YJXVBIAGLJADIN-BBWFWOEESA-N 1 3 322.497 1.146 50 0 DDAAHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@@H]2CCCCN2)CC1 ZINC000237607040 407828231 /nfs/dbraw/zinc/82/82/31/407828231.db2.gz YJXVBIAGLJADIN-BBWFWOEESA-N 1 3 322.497 1.146 50 0 DDAAHO C[C@H](N)C(=O)N(C)[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000246718477 408321511 /nfs/dbraw/zinc/32/15/11/408321511.db2.gz XLQUFWXWDGZVQP-QSJFSLAZSA-N 1 3 303.450 1.949 50 0 DDAAHO C[C@H](N)C(=O)N(C)[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000246718477 408321520 /nfs/dbraw/zinc/32/15/20/408321520.db2.gz XLQUFWXWDGZVQP-QSJFSLAZSA-N 1 3 303.450 1.949 50 0 DDAAHO C[C@@H]1CCN(CC(=O)N2CCC(OCCC[NH+](C)C)CC2)C1 ZINC000408517195 418807051 /nfs/dbraw/zinc/80/70/51/418807051.db2.gz CBRDNZPRMVHBQL-OAHLLOKOSA-N 1 3 311.470 1.288 50 0 DDAAHO CC[NH+]1CCC(NC(=O)CN[C@H](C)[C@H](C)n2cccn2)CC1 ZINC000069813346 279260077 /nfs/dbraw/zinc/26/00/77/279260077.db2.gz LGJGXECJLUCRIM-KGLIPLIRSA-N 1 3 307.442 1.023 50 0 DDAAHO CN1CCC2(CCCN2C(=O)N[C@@H](CC[NH3+])C(F)(F)F)CC1 ZINC000331683342 282732220 /nfs/dbraw/zinc/73/22/20/282732220.db2.gz ROIJPUOJVHQCFW-NSHDSACASA-N 1 3 322.375 1.536 50 0 DDAAHO CC(C)CN1CCN(C2CC[NH+](C(C)C)CC2)[C@H](CCO)C1 ZINC000038149482 407000805 /nfs/dbraw/zinc/00/08/05/407000805.db2.gz QYBDHKXICKUGBH-GOSISDBHSA-N 1 3 311.514 1.884 50 0 DDAAHO Cc1ccc(CN2CCC(C(=O)NCCC[NH+](C)C)CC2)o1 ZINC000005815095 352115687 /nfs/dbraw/zinc/11/56/87/352115687.db2.gz CVYHCMLBLNXQTI-UHFFFAOYSA-N 1 3 307.438 1.868 50 0 DDAAHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)C[C@@H](C)O1 ZINC000237399778 202254202 /nfs/dbraw/zinc/25/42/02/202254202.db2.gz AXXXGMYQHFWVOR-SRABZTEZSA-N 1 3 323.481 1.462 50 0 DDAAHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000237564223 407829488 /nfs/dbraw/zinc/82/94/88/407829488.db2.gz AXSZTKLWLYAVCG-ZBFHGGJFSA-N 1 3 301.434 1.989 50 0 DDAAHO C[C@@H]1C[C@@H](N(C)C(=O)C2(N)CC2)CC[N@H+]1Cc1ccccc1 ZINC000237564223 407829493 /nfs/dbraw/zinc/82/94/93/407829493.db2.gz AXSZTKLWLYAVCG-ZBFHGGJFSA-N 1 3 301.434 1.989 50 0 DDAAHO CN(C)CCO[C@@H]1COCC[C@H]1[NH2+]C1CSCCSC1 ZINC000219943420 289171462 /nfs/dbraw/zinc/17/14/62/289171462.db2.gz JNHLRXDIVWJUST-ZIAGYGMSSA-N 1 3 320.524 1.160 50 0 DDAAHO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)[C@@](C)(N)C2CC2)CC1 ZINC000237432381 202264613 /nfs/dbraw/zinc/26/46/13/202264613.db2.gz YLYJPPMTEIWCSK-RKVPGOIHSA-N 1 3 322.497 1.131 50 0 DDAAHO O[C@H](C[NH+]1CCC(CNCc2cc[nH]n2)CC1)c1ccccc1 ZINC000069490778 285349835 /nfs/dbraw/zinc/34/98/35/285349835.db2.gz KTOZFVQMWXGKRB-GOSISDBHSA-N 1 3 314.433 1.945 50 0 DDAAHO COc1ccc(COC[C@H](O)CNCC(C)(C)C[NH+](C)C)cc1 ZINC000006906534 406743819 /nfs/dbraw/zinc/74/38/19/406743819.db2.gz ZYVNGCUKCCLAHW-MRXNPFEDSA-N 1 3 324.465 1.750 50 0 DDAAHO [NH3+]CCC(=O)NCC[C@H]1CN(C2CCCCCCC2)CCO1 ZINC000071278646 406836077 /nfs/dbraw/zinc/83/60/77/406836077.db2.gz SWTTYFDFOZUXMK-INIZCTEOSA-N 1 3 311.470 1.655 50 0 DDAAHO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)C(C)(C)N)C1 ZINC000095362967 407209189 /nfs/dbraw/zinc/20/91/89/407209189.db2.gz VIXUCYOCBWMNOJ-AWEZNQCLSA-N 1 3 321.469 1.278 50 0 DDAAHO CC[C@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000195555040 407467565 /nfs/dbraw/zinc/46/75/65/407467565.db2.gz WUJRHCYNRVIPOK-INIZCTEOSA-N 1 3 304.438 1.884 50 0 DDAAHO N[C@@H](CCCC[NH3+])C(=O)N1CC(Oc2cccc(Cl)c2)C1 ZINC000244633654 407929016 /nfs/dbraw/zinc/92/90/16/407929016.db2.gz GGYPHFMIBWMQFC-AWEZNQCLSA-N 1 3 311.813 1.386 50 0 DDAAHO O=C(C1CC[NH2+]CC1)N1CCCO[C@H](CN2CCCCC2)C1 ZINC000534576744 334287970 /nfs/dbraw/zinc/28/79/70/334287970.db2.gz LUVQXNPIJJOZTJ-MRXNPFEDSA-N 1 3 309.454 1.089 50 0 DDAAHO COc1cc(C[NH2+]C[C@@H]2CCN(C3CC3)C2)cc2c1OCO2 ZINC000042229091 183244871 /nfs/dbraw/zinc/24/48/71/183244871.db2.gz LFZLKXOKWPUIRR-LBPRGKRZSA-N 1 3 304.390 1.998 50 0 DDAAHO COCCn1cnnc1[C@H](C)NC1CCC2(CC[NH2+]CC2)CC1 ZINC000067457967 407274349 /nfs/dbraw/zinc/27/43/49/407274349.db2.gz GPHHOAKYUYMAEB-AWEZNQCLSA-N 1 3 321.469 1.888 50 0 DDAAHO CN(C)CCN1CC[N@H+](C[C@@H]2CCOC(C)(C)C2)CCC1=O ZINC000823698154 758343413 /nfs/dbraw/zinc/34/34/13/758343413.db2.gz OUQDYWSRIFNJBW-OAHLLOKOSA-N 1 3 311.470 1.288 50 0 DDAAHO CN(C)CCN1CC[N@@H+](C[C@@H]2CCOC(C)(C)C2)CCC1=O ZINC000823698154 758343425 /nfs/dbraw/zinc/34/34/25/758343425.db2.gz OUQDYWSRIFNJBW-OAHLLOKOSA-N 1 3 311.470 1.288 50 0 DDAAHO O[C@H]1[C@H](NCCn2cccn2)c2ccccc2C12CC[NH2+]CC2 ZINC000072152102 406874449 /nfs/dbraw/zinc/87/44/49/406874449.db2.gz HKQNSMXIJXHDOM-SJORKVTESA-N 1 3 312.417 1.210 50 0 DDAAHO O[C@]1(C[NH+]2CCC(OCc3ccccc3)CC2)CCCNC1 ZINC000077521081 406995006 /nfs/dbraw/zinc/99/50/06/406995006.db2.gz LOQKRFDWHCUGGZ-GOSISDBHSA-N 1 3 304.434 1.782 50 0 DDAAHO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000072148730 191054391 /nfs/dbraw/zinc/05/43/91/191054391.db2.gz TUVPGKYPDSSXDH-KRWDZBQOSA-N 1 3 318.421 1.948 50 0 DDAAHO NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CN[C@@H]3CCOC3)c2)C1 ZINC000088717442 185263030 /nfs/dbraw/zinc/26/30/30/185263030.db2.gz JMQCDLHMEOLJFJ-DLBZAZTESA-N 1 3 317.433 1.262 50 0 DDAAHO NC(=O)[C@H]1CCC[N@@H+](Cc2cccc(CN[C@@H]3CCOC3)c2)C1 ZINC000088717442 185263031 /nfs/dbraw/zinc/26/30/31/185263031.db2.gz JMQCDLHMEOLJFJ-DLBZAZTESA-N 1 3 317.433 1.262 50 0 DDAAHO CCC[NH+]1CCC(Cc2noc(C[C@H]3CNCCO3)n2)CC1 ZINC000067769543 407283712 /nfs/dbraw/zinc/28/37/12/407283712.db2.gz ZERRHWADCYVPDU-AWEZNQCLSA-N 1 3 308.426 1.265 50 0 DDAAHO O=C(NCCC1CCN(c2ccncc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000170070834 490680708 /nfs/dbraw/zinc/68/07/08/490680708.db2.gz VBJLJGVTOPPSFI-INIZCTEOSA-N 1 3 302.422 1.556 50 0 DDAAHO CN1C[C@@]2(CCCN(Cc3cccc(CC[NH3+])c3)C2)OC1=O ZINC000072453992 191170799 /nfs/dbraw/zinc/17/07/99/191170799.db2.gz IULXZPQOZJAGIP-QGZVFWFLSA-N 1 3 303.406 1.604 50 0 DDAAHO CSCC[C@H](N)C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000091563064 193073465 /nfs/dbraw/zinc/07/34/65/193073465.db2.gz QJDIHFFGNZUFOQ-HNNXBMFYSA-N 1 3 322.478 1.509 50 0 DDAAHO N=C(NC(N)=[NH2+])Nc1ccc(I)cc1 ZINC000020286649 182203489 /nfs/dbraw/zinc/20/34/89/182203489.db2.gz DDQOEORSEUOJBV-UHFFFAOYSA-N 1 3 303.107 1.121 50 0 DDAAHO CC[N@@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(F)(F)F ZINC000065516607 285275739 /nfs/dbraw/zinc/27/57/39/285275739.db2.gz UMQUFFNVRGCQJA-LBPRGKRZSA-N 1 3 309.376 1.813 50 0 DDAAHO CC[N@H+]1CCC[C@H]1CN(CCN(C)C)C(=O)CC(F)(F)F ZINC000065516607 285275740 /nfs/dbraw/zinc/27/57/40/285275740.db2.gz UMQUFFNVRGCQJA-LBPRGKRZSA-N 1 3 309.376 1.813 50 0 DDAAHO Cc1cnn([C@H](C)[C@@H](C)NC[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000069464820 406717699 /nfs/dbraw/zinc/71/76/99/406717699.db2.gz CIVVDJLPHPVMGK-ZACQAIPSSA-N 1 3 308.470 1.823 50 0 DDAAHO CN(C)Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000253416027 407443441 /nfs/dbraw/zinc/44/34/41/407443441.db2.gz MIRFHXCSFHZCFK-ZFWWWQNUSA-N 1 3 311.451 1.154 50 0 DDAAHO Cn1c(CN2CCC(c3ccn[nH]3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244691680 407930258 /nfs/dbraw/zinc/93/02/58/407930258.db2.gz JHCWETUVGHPGKM-BETUJISGSA-N 1 3 315.425 1.123 50 0 DDAAHO COCC[N@@H+]1CC[C@H](CN(C)C2CSCCSC2)C1 ZINC000670454625 484841085 /nfs/dbraw/zinc/84/10/85/484841085.db2.gz KQOUBYQYKMKFIT-CYBMUJFWSA-N 1 3 304.525 1.735 50 0 DDAAHO COCC[N@H+]1CC[C@H](CN(C)C2CSCCSC2)C1 ZINC000670454625 484841089 /nfs/dbraw/zinc/84/10/89/484841089.db2.gz KQOUBYQYKMKFIT-CYBMUJFWSA-N 1 3 304.525 1.735 50 0 DDAAHO C[C@@H]1CC[C@H](CO)CN1C/C=C/C[N@@H+]1C[C@H](CO)CC[C@H]1C ZINC000252486326 354383436 /nfs/dbraw/zinc/38/34/36/354383436.db2.gz ILXKADWHYPCQNI-XLILKLNXSA-N 1 3 310.482 1.728 50 0 DDAAHO C[C@@H]1CC[C@H](CO)CN1C/C=C/C[N@H+]1C[C@H](CO)CC[C@H]1C ZINC000252486326 354383439 /nfs/dbraw/zinc/38/34/39/354383439.db2.gz ILXKADWHYPCQNI-XLILKLNXSA-N 1 3 310.482 1.728 50 0 DDAAHO C[C@@H]1CC[C@@H](CO)CN1C/C=C/C[N@@H+]1C[C@@H](CO)CC[C@H]1C ZINC000252486326 354383442 /nfs/dbraw/zinc/38/34/42/354383442.db2.gz ILXKADWHYPCQNI-XLILKLNXSA-N 1 3 310.482 1.728 50 0 DDAAHO C[C@@H]1CC[C@@H](CO)CN1C/C=C/C[N@H+]1C[C@@H](CO)CC[C@H]1C ZINC000252486326 354383444 /nfs/dbraw/zinc/38/34/44/354383444.db2.gz ILXKADWHYPCQNI-XLILKLNXSA-N 1 3 310.482 1.728 50 0 DDAAHO C[C@H]1NCCC[NH+](CCO)CCCN[C@H](C)c2cccc1n2 ZINC000068605066 406656777 /nfs/dbraw/zinc/65/67/77/406656777.db2.gz FUCMCCJMAABLHS-HUUCEWRRSA-N 1 3 306.454 1.471 50 0 DDAAHO NCCC[NH2+]C1CCN(c2ccc(N3CCCC3=O)cc2)CC1 ZINC000063833813 407235483 /nfs/dbraw/zinc/23/54/83/407235483.db2.gz DNDFZUQJMUBVCM-UHFFFAOYSA-N 1 3 316.449 1.721 50 0 DDAAHO C[NH2+][C@H]1CCCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000133328524 407827990 /nfs/dbraw/zinc/82/79/90/407827990.db2.gz UBECRBYKPUVOSE-AWEZNQCLSA-N 1 3 305.422 1.451 50 0 DDAAHO [NH3+]CCc1ccc(CN2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299775812 410622484 /nfs/dbraw/zinc/62/24/84/410622484.db2.gz KTCQAAYSLIWETM-DLBZAZTESA-N 1 3 313.405 1.125 50 0 DDAAHO O=C1CC[C@@H]([NH+]2CCC3(CC2)CNCCO3)CCN1CC1CC1 ZINC000426705900 419536197 /nfs/dbraw/zinc/53/61/97/419536197.db2.gz VCKMTXURTSIVMT-MRXNPFEDSA-N 1 3 321.465 1.232 50 0 DDAAHO Cc1ncc2c(c1CNC(=O)[C@@H]1CC13CC[NH2+]CC3)CCNC2 ZINC000072478022 293609423 /nfs/dbraw/zinc/60/94/23/293609423.db2.gz SDKLIFTUWBZFHG-INIZCTEOSA-N 1 3 314.433 1.042 50 0 DDAAHO Cc1nccn1CCN(C)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063834944 696331315 /nfs/dbraw/zinc/33/13/15/696331315.db2.gz OCOMLWRETDOSTB-IAGOWNOFSA-N 1 3 306.454 1.503 50 0 DDAAHO Cc1nccn1CCN(C)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063834944 696331319 /nfs/dbraw/zinc/33/13/19/696331319.db2.gz OCOMLWRETDOSTB-IAGOWNOFSA-N 1 3 306.454 1.503 50 0 DDAAHO Cc1nccn1CC[N@@H+](C)C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063834944 696331320 /nfs/dbraw/zinc/33/13/20/696331320.db2.gz OCOMLWRETDOSTB-IAGOWNOFSA-N 1 3 306.454 1.503 50 0 DDAAHO Cc1nccn1CC[N@H+](C)C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063834944 696331323 /nfs/dbraw/zinc/33/13/23/696331323.db2.gz OCOMLWRETDOSTB-IAGOWNOFSA-N 1 3 306.454 1.503 50 0 DDAAHO CN(CCc1ccccc1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072434204 191166489 /nfs/dbraw/zinc/16/64/89/191166489.db2.gz YDOWFBYXWTVMSJ-KRWDZBQOSA-N 1 3 315.461 1.761 50 0 DDAAHO Cc1ccc2[nH]c(CCC[NH2+]C[C@@]3(O)CCCNC3)nc2c1C ZINC000072478049 191180134 /nfs/dbraw/zinc/18/01/34/191180134.db2.gz JQOPLHYGRKBDNY-SFHVURJKSA-N 1 3 316.449 1.816 50 0 DDAAHO CCCC[C@@H]([NH3+])C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000195554268 354297045 /nfs/dbraw/zinc/29/70/45/354297045.db2.gz ODHVPDSZISEVSY-JKSUJKDBSA-N 1 3 310.486 1.132 50 0 DDAAHO CSc1ccc2c(c1)CCN(C(=O)C13CNCC1C[NH2+]C3)C2 ZINC000096164437 407242533 /nfs/dbraw/zinc/24/25/33/407242533.db2.gz MBBQNKZDDFFJFK-UHFFFAOYSA-N 1 3 317.458 1.102 50 0 DDAAHO C[NH+](C)Cc1ccc(C(=O)NCCN2CCCC[C@@H]2CO)cc1 ZINC000102537703 407323913 /nfs/dbraw/zinc/32/39/13/407323913.db2.gz VJPVVQFXDJXUNP-QGZVFWFLSA-N 1 3 319.449 1.325 50 0 DDAAHO OCCN1CC[NH+](C2CCN(Cc3ccsc3)CC2)CC1 ZINC000216306136 407495646 /nfs/dbraw/zinc/49/56/46/407495646.db2.gz VHPBZNRPIXOISX-UHFFFAOYSA-N 1 3 309.479 1.322 50 0 DDAAHO CN1CCCCC[C@H]1C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000952869498 775601687 /nfs/dbraw/zinc/60/16/87/775601687.db2.gz MJBGVFKMQQEQLI-INIZCTEOSA-N 1 3 311.470 1.478 50 0 DDAAHO Cc1ccc(CN(CCN(C)C)C(=O)C[C@H]2CC[NH2+]C2)s1 ZINC000215435487 407485115 /nfs/dbraw/zinc/48/51/15/407485115.db2.gz NNUFYNKEQRDSGK-CQSZACIVSA-N 1 3 309.479 1.946 50 0 DDAAHO COc1ccc(C(=O)N(C)CCN2CCCC2)c(OCC[NH3+])c1 ZINC000426434429 419469350 /nfs/dbraw/zinc/46/93/50/419469350.db2.gz HRHRNXUKHDRFRR-UHFFFAOYSA-N 1 3 321.421 1.201 50 0 DDAAHO COc1cccc(CN2CCC[C@@H](CO)C2)c1OCC[NH+](C)C ZINC000215772882 295297288 /nfs/dbraw/zinc/29/72/88/295297288.db2.gz SPXWQGJXFYLOKO-OAHLLOKOSA-N 1 3 322.449 1.840 50 0 DDAAHO [NH3+]C1CCN(c2nc(-c3ccccc3)nc3c2CCNC3)CC1 ZINC000067967585 283415513 /nfs/dbraw/zinc/41/55/13/283415513.db2.gz YBBXJYWTGVJJIX-UHFFFAOYSA-N 1 3 309.417 1.717 50 0 DDAAHO C[C@@H]1NCCC[NH+](CCO)CCCN[C@@H](C)c2cccc1n2 ZINC000068605062 406656581 /nfs/dbraw/zinc/65/65/81/406656581.db2.gz FUCMCCJMAABLHS-GJZGRUSLSA-N 1 3 306.454 1.471 50 0 DDAAHO Cc1nn(C)c(Cl)c1CNCC1CC[NH+](CCO)CC1 ZINC000069414621 406705020 /nfs/dbraw/zinc/70/50/20/406705020.db2.gz GPSMRQIDNXVCMX-UHFFFAOYSA-N 1 3 300.834 1.176 50 0 DDAAHO c1ccc(-c2nc3c(c(N4C[C@H]5CC[C@@H](C4)[NH2+]5)n2)CCNC3)cc1 ZINC000067641291 280477137 /nfs/dbraw/zinc/47/71/37/280477137.db2.gz XINJUBVWMIISGX-GASCZTMLSA-N 1 3 321.428 1.730 50 0 DDAAHO Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN(C)CCN(C)C)C2)cc1 ZINC000091678028 193090375 /nfs/dbraw/zinc/09/03/75/193090375.db2.gz XCMIWIASMCIRRR-RTBURBONSA-N 1 3 319.493 1.529 50 0 DDAAHO Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CN(C)CCN(C)C)C2)cc1 ZINC000091678028 193090377 /nfs/dbraw/zinc/09/03/77/193090377.db2.gz XCMIWIASMCIRRR-RTBURBONSA-N 1 3 319.493 1.529 50 0 DDAAHO Cc1nn(C)c(Cl)c1CNCC1CC[NH+](C[C@H](C)O)CC1 ZINC000069349941 406700560 /nfs/dbraw/zinc/70/05/60/406700560.db2.gz YBJVKTNPDXLAJM-NSHDSACASA-N 1 3 314.861 1.564 50 0 DDAAHO C[NH+](C)CCCNC[C@@H](O)CO[C@@H]1CCCc2ccccc21 ZINC000006936234 406745813 /nfs/dbraw/zinc/74/58/13/406745813.db2.gz DBAGOYSKCLDZMW-SJLPKXTDSA-N 1 3 306.450 1.983 50 0 DDAAHO CNS(=O)(=O)c1ccc(CN2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000067965004 407292006 /nfs/dbraw/zinc/29/20/06/407292006.db2.gz JAKCLJCFABNQHF-UHFFFAOYSA-N 1 3 323.462 1.170 50 0 DDAAHO COc1cccc(CN2CCC[C@H]([NH3+])CC2)c1OCCN(C)C ZINC000097713606 295297013 /nfs/dbraw/zinc/29/70/13/295297013.db2.gz GQZLASQZCNQSMG-INIZCTEOSA-N 1 3 321.465 1.949 50 0 DDAAHO O=C(C1CC[NH2+]CC1)N1CCCO[C@@H](CN2CCCCC2)C1 ZINC000534576743 334287911 /nfs/dbraw/zinc/28/79/11/334287911.db2.gz LUVQXNPIJJOZTJ-INIZCTEOSA-N 1 3 309.454 1.089 50 0 DDAAHO CN1CCCCC[C@H]1C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000952962152 721528192 /nfs/dbraw/zinc/52/81/92/721528192.db2.gz BYWCYCLXUIJQAE-INIZCTEOSA-N 1 3 323.481 1.310 50 0 DDAAHO CC(=O)NCC[NH2+][C@@H]1CC[C@@H]2CN(Cc3ccccc3)C[C@H]12 ZINC000119604977 195000268 /nfs/dbraw/zinc/00/02/68/195000268.db2.gz ZSFRRKZHEZIXGS-FGTMMUONSA-N 1 3 301.434 1.623 50 0 DDAAHO CC(=O)NCCN[C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000119604977 195000269 /nfs/dbraw/zinc/00/02/69/195000269.db2.gz ZSFRRKZHEZIXGS-FGTMMUONSA-N 1 3 301.434 1.623 50 0 DDAAHO CC(=O)NCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000119604977 195000271 /nfs/dbraw/zinc/00/02/71/195000271.db2.gz ZSFRRKZHEZIXGS-FGTMMUONSA-N 1 3 301.434 1.623 50 0 DDAAHO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)[C@@H](N)CCCC[NH3+] ZINC000299792513 410631876 /nfs/dbraw/zinc/63/18/76/410631876.db2.gz FXGAHBZOYUBYMF-NSHDSACASA-N 1 3 323.828 1.631 50 0 DDAAHO Cc1cc(CC(C)C)nc(N2CC[C@@H]([NH2+]C3CCNCC3)C2)n1 ZINC000426434875 419467313 /nfs/dbraw/zinc/46/73/13/419467313.db2.gz QSXLZQJMAYAIGT-MRXNPFEDSA-N 1 3 317.481 1.904 50 0 DDAAHO Cc1c[nH+]ccc1N1CCCN(c2cc(CN)nc(C)n2)CC1 ZINC000067817646 696364402 /nfs/dbraw/zinc/36/44/02/696364402.db2.gz PMNVHRPUFIVPLF-UHFFFAOYSA-N 1 3 312.421 1.664 50 0 DDAAHO Cc1cc(C)n(C[C@@H](C)N2CCC(O)(C[NH+]3CCCC3)CC2)n1 ZINC000821740550 758170446 /nfs/dbraw/zinc/17/04/46/758170446.db2.gz RUXZVSXHLKZBKO-QGZVFWFLSA-N 1 3 320.481 1.811 50 0 DDAAHO O=S(=O)(c1ccc(C[NH2+]C2CCC2)cc1)N1CCOCC1 ZINC000095427068 185361902 /nfs/dbraw/zinc/36/19/02/185361902.db2.gz IIILPSYQZIXFAG-UHFFFAOYSA-N 1 3 310.419 1.350 50 0 DDAAHO CC(C)[C@@H]1CN(C(=O)CN)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071752277 191023036 /nfs/dbraw/zinc/02/30/36/191023036.db2.gz DMVYCSKUDMHTQS-INIZCTEOSA-N 1 3 307.413 1.843 50 0 DDAAHO CC(C)[C@@H]1CN(C(=O)CN)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071752277 191023039 /nfs/dbraw/zinc/02/30/39/191023039.db2.gz DMVYCSKUDMHTQS-INIZCTEOSA-N 1 3 307.413 1.843 50 0 DDAAHO CC(C)[C@@H]1CN(C(=O)C[NH3+])CCCN1Cc1ccc(F)cc1 ZINC000071752277 191023041 /nfs/dbraw/zinc/02/30/41/191023041.db2.gz DMVYCSKUDMHTQS-INIZCTEOSA-N 1 3 307.413 1.843 50 0 DDAAHO [NH3+]C[C@@H]1CN(Cc2ccc(CN3CCCCC3)s2)CCO1 ZINC000067833908 407286251 /nfs/dbraw/zinc/28/62/51/407286251.db2.gz RDYAILWQJUMTJT-CQSZACIVSA-N 1 3 309.479 1.894 50 0 DDAAHO CCN1CCC[C@H]1CSc1nnc(C2CC[NH2+]CC2)n1C ZINC000426500025 419492106 /nfs/dbraw/zinc/49/21/06/419492106.db2.gz BMGDEZPRLXFWLH-ZDUSSCGKSA-N 1 3 309.483 1.859 50 0 DDAAHO NC(=O)C1CC[NH+](CCCNC2CSCCSC2)CC1 ZINC000534661142 334321667 /nfs/dbraw/zinc/32/16/67/334321667.db2.gz ORTGHKKDVFXBJD-UHFFFAOYSA-N 1 3 317.524 1.012 50 0 DDAAHO CC(C)CN1CCN(C2CC[NH+](C(C)C)CC2)[C@@H](CCO)C1 ZINC000020997088 406889022 /nfs/dbraw/zinc/88/90/22/406889022.db2.gz QYBDHKXICKUGBH-SFHVURJKSA-N 1 3 311.514 1.884 50 0 DDAAHO Cc1cc(C)nc(N2CCC(N3C[C@H]4C[NH2+]C[C@H]4C3)CC2)n1 ZINC000095518696 407213912 /nfs/dbraw/zinc/21/39/12/407213912.db2.gz MDVXJKLAIOQUBP-GASCZTMLSA-N 1 3 301.438 1.213 50 0 DDAAHO CCc1nccn1CCC[NH2+]C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063833184 407235555 /nfs/dbraw/zinc/23/55/55/407235555.db2.gz QCHMACNJCSOGNC-SJLPKXTDSA-N 1 3 320.481 1.805 50 0 DDAAHO CC[C@@H](C(=O)N1CCC([NH+]2CCSCC2)CC1)N(C)CC ZINC000822544827 758221528 /nfs/dbraw/zinc/22/15/28/758221528.db2.gz GOLCKMPKPHSHCT-HNNXBMFYSA-N 1 3 313.511 1.757 50 0 DDAAHO CN(C(=O)C1(N)CC1)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000072433480 191164387 /nfs/dbraw/zinc/16/43/87/191164387.db2.gz JPICYFOTHWNHMB-MRXNPFEDSA-N 1 3 301.434 1.643 50 0 DDAAHO CN(C(=O)C1(N)CC1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072433480 191164389 /nfs/dbraw/zinc/16/43/89/191164389.db2.gz JPICYFOTHWNHMB-MRXNPFEDSA-N 1 3 301.434 1.643 50 0 DDAAHO CC(C)[NH+]1CCC(N2CCN(C)[C@]3(C2)CCNC(=O)CC3)CC1 ZINC000091745308 193100094 /nfs/dbraw/zinc/10/00/94/193100094.db2.gz OFTQJEVTFQGWHL-SFHVURJKSA-N 1 3 322.497 1.146 50 0 DDAAHO COCCNCC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000263271112 285074125 /nfs/dbraw/zinc/07/41/25/285074125.db2.gz OZWGNPNIAFUYNH-CVEARBPZSA-N 1 3 311.470 1.335 50 0 DDAAHO COCCNCC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000263271112 285074128 /nfs/dbraw/zinc/07/41/28/285074128.db2.gz OZWGNPNIAFUYNH-CVEARBPZSA-N 1 3 311.470 1.335 50 0 DDAAHO COC[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000127587542 407442985 /nfs/dbraw/zinc/44/29/85/407442985.db2.gz ZVCKFULLBVSRCW-GUDVDZBRSA-N 1 3 318.461 1.980 50 0 DDAAHO COC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2ccccc2)C1 ZINC000127587542 407443002 /nfs/dbraw/zinc/44/30/02/407443002.db2.gz ZVCKFULLBVSRCW-GUDVDZBRSA-N 1 3 318.461 1.980 50 0 DDAAHO COc1ccc(CN2CCCN(C)CC2)cc1OCCC[NH3+] ZINC000299778666 410622456 /nfs/dbraw/zinc/62/24/56/410622456.db2.gz PJYNKEFBHJJWCO-UHFFFAOYSA-N 1 3 307.438 1.560 50 0 DDAAHO CCN1CCC[C@@H]1CNC(=O)c1cc(C2CC[NH2+]CC2)ccn1 ZINC000534658885 334314917 /nfs/dbraw/zinc/31/49/17/334314917.db2.gz AGFAOFZITHNIPW-MRXNPFEDSA-N 1 3 316.449 1.763 50 0 DDAAHO C[C@H]1C[C@H]([NH2+]Cc2cnc(Br)n2C)CCN1C ZINC000585118701 771951958 /nfs/dbraw/zinc/95/19/58/771951958.db2.gz YXQUMXGKJFQMGI-VHSXEESVSA-N 1 3 301.232 1.755 50 0 DDAAHO CC(C)CC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(CCN(C)C)C1=O ZINC000067695944 407280184 /nfs/dbraw/zinc/28/01/84/407280184.db2.gz BYIRTSWTQQREEF-KRWDZBQOSA-N 1 3 324.469 1.274 50 0 DDAAHO C[NH+](C)CC1(O)CCN([C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000670435503 484827659 /nfs/dbraw/zinc/82/76/59/484827659.db2.gz DSDNGWBXSXKJJL-QGZVFWFLSA-N 1 3 303.450 1.654 50 0 DDAAHO C[NH2+]CC(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000237290766 202219082 /nfs/dbraw/zinc/21/90/82/202219082.db2.gz KLBSZRXXZVAEJC-HNNXBMFYSA-N 1 3 318.421 1.011 50 0 DDAAHO NCc1cn(C2CC[NH+](Cc3ccc4nonc4c3)CC2)nn1 ZINC000023399391 182360159 /nfs/dbraw/zinc/36/01/59/182360159.db2.gz FBCYLMRQKVPNRU-UHFFFAOYSA-N 1 3 313.365 1.110 50 0 DDAAHO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000237607275 407831923 /nfs/dbraw/zinc/83/19/23/407831923.db2.gz YJXVBIAGLJADIN-IXDOHACOSA-N 1 3 322.497 1.146 50 0 DDAAHO C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CCN(C(=O)[C@H]2CCCCN2)CC1 ZINC000237607275 407831927 /nfs/dbraw/zinc/83/19/27/407831927.db2.gz YJXVBIAGLJADIN-IXDOHACOSA-N 1 3 322.497 1.146 50 0 DDAAHO C[C@H]1C[C@@H]([NH2+]Cc2cnc(Br)n2C)CCN1C ZINC000585118700 739380075 /nfs/dbraw/zinc/38/00/75/739380075.db2.gz YXQUMXGKJFQMGI-UWVGGRQHSA-N 1 3 301.232 1.755 50 0 DDAAHO CN1CCC(O)(C(=O)N[C@@H](C[NH+]2CCCC2)C(C)(C)C)CC1 ZINC000823759649 758349589 /nfs/dbraw/zinc/34/95/89/758349589.db2.gz ZUVLYHSUNMFDBY-AWEZNQCLSA-N 1 3 311.470 1.070 50 0 DDAAHO C[C@](O)(C[C@H](O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000952877177 775628504 /nfs/dbraw/zinc/62/85/04/775628504.db2.gz MFDWFMYNXQRVIC-BVBHFADKSA-N 1 3 318.461 1.573 50 0 DDAAHO C[C@@H]1CC[C@H](CO)C[N@H+]1C/C=C/CN1C[C@H](CO)CC[C@@H]1C ZINC000095443132 185366961 /nfs/dbraw/zinc/36/69/61/185366961.db2.gz ILXKADWHYPCQNI-VKKSWGCMSA-N 1 3 310.482 1.728 50 0 DDAAHO C[C@@H]1CC[C@H](CO)C[N@@H+]1C/C=C/CN1C[C@H](CO)CC[C@@H]1C ZINC000095443132 185366962 /nfs/dbraw/zinc/36/69/62/185366962.db2.gz ILXKADWHYPCQNI-VKKSWGCMSA-N 1 3 310.482 1.728 50 0 DDAAHO C[C@@H]1CC[C@H](CO)CN1C/C=C/C[N@@H+]1C[C@H](CO)CC[C@@H]1C ZINC000095443132 185366963 /nfs/dbraw/zinc/36/69/63/185366963.db2.gz ILXKADWHYPCQNI-VKKSWGCMSA-N 1 3 310.482 1.728 50 0 DDAAHO C[C@@H]1CC[C@H](CO)CN1C/C=C/C[N@H+]1C[C@H](CO)CC[C@@H]1C ZINC000095443132 185366964 /nfs/dbraw/zinc/36/69/64/185366964.db2.gz ILXKADWHYPCQNI-VKKSWGCMSA-N 1 3 310.482 1.728 50 0 DDAAHO Fc1cc(C[NH2+]C[C@H]2CCN(C3CC3)C2)ccc1-n1cncn1 ZINC000042229072 183244511 /nfs/dbraw/zinc/24/45/11/183244511.db2.gz FVQAURRZDFDWTP-CQSZACIVSA-N 1 3 315.396 1.980 50 0 DDAAHO CN(C)Cc1c2ccccc2oc1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179093585 407721936 /nfs/dbraw/zinc/72/19/36/407721936.db2.gz SUMNCOFYMJRMLY-GFCCVEGCSA-N 1 3 301.390 1.928 50 0 DDAAHO CN(CCn1cncn1)Cc1cccc(OC2CC[NH2+]CC2)c1 ZINC000299776274 410621641 /nfs/dbraw/zinc/62/16/41/410621641.db2.gz MPDVQKGIGRYHKS-UHFFFAOYSA-N 1 3 315.421 1.541 50 0 DDAAHO C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000585120859 422307455 /nfs/dbraw/zinc/30/74/55/422307455.db2.gz QSARNKZVFQFLLV-IRXDYDNUSA-N 1 3 317.433 1.592 50 0 DDAAHO CC[N@H+](C)C[C@@H]1CCN(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)C1 ZINC000242389681 279034455 /nfs/dbraw/zinc/03/44/55/279034455.db2.gz ZZNOGZMAMCUGBT-ZACQAIPSSA-N 1 3 324.513 1.948 50 0 DDAAHO CC[N@@H+](C)C[C@@H]1CCN(C(=O)NCCN2C[C@H](C)C[C@@H](C)C2)C1 ZINC000242389681 279034457 /nfs/dbraw/zinc/03/44/57/279034457.db2.gz ZZNOGZMAMCUGBT-ZACQAIPSSA-N 1 3 324.513 1.948 50 0 DDAAHO O=C(N[C@@H]1CC[NH2+]C1)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000072121603 303870910 /nfs/dbraw/zinc/87/09/10/303870910.db2.gz AXUBTFHWMSFPSB-QGZVFWFLSA-N 1 3 313.445 1.488 50 0 DDAAHO CN(C)CCN1CC[N@H+](C[C@H]2CCOC(C)(C)C2)CCC1=O ZINC000823698153 758343648 /nfs/dbraw/zinc/34/36/48/758343648.db2.gz OUQDYWSRIFNJBW-HNNXBMFYSA-N 1 3 311.470 1.288 50 0 DDAAHO CN(C)CCN1CC[N@@H+](C[C@H]2CCOC(C)(C)C2)CCC1=O ZINC000823698153 758343659 /nfs/dbraw/zinc/34/36/59/758343659.db2.gz OUQDYWSRIFNJBW-HNNXBMFYSA-N 1 3 311.470 1.288 50 0 DDAAHO O[C@]1(C[NH2+]CCc2csc(-c3ccncc3)n2)CCCNC1 ZINC000072421184 191158534 /nfs/dbraw/zinc/15/85/34/191158534.db2.gz LUVMVFKBLBDFDL-MRXNPFEDSA-N 1 3 318.446 1.452 50 0 DDAAHO OCC[NH+]1CCC2(CCN(Cc3ccsc3)C[C@H]2CO)CC1 ZINC000097294612 407290978 /nfs/dbraw/zinc/29/09/78/407290978.db2.gz SMWDKGQPRGDCQJ-INIZCTEOSA-N 1 3 324.490 1.637 50 0 DDAAHO CN(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000253416024 407441445 /nfs/dbraw/zinc/44/14/45/407441445.db2.gz MIRFHXCSFHZCFK-DZGCQCFKSA-N 1 3 311.451 1.154 50 0 DDAAHO C[C@@H]1C[C@@H]([NH2+]Cc2cnc(Br)n2C)CCN1C ZINC000585118702 771951795 /nfs/dbraw/zinc/95/17/95/771951795.db2.gz YXQUMXGKJFQMGI-ZJUUUORDSA-N 1 3 301.232 1.755 50 0 DDAAHO Cc1c(C)n(CCC[NH+](C)C)c2ncnc(NCCN(C)C)c12 ZINC000005345184 181232552 /nfs/dbraw/zinc/23/25/52/181232552.db2.gz QCDHKISVNNZLLS-UHFFFAOYSA-N 1 3 318.469 1.973 50 0 DDAAHO CC(C)[NH+]1CCC(N2CCN(C)[C@@]3(C2)CCNC(=O)CC3)CC1 ZINC000107413091 407374708 /nfs/dbraw/zinc/37/47/08/407374708.db2.gz OFTQJEVTFQGWHL-GOSISDBHSA-N 1 3 322.497 1.146 50 0 DDAAHO CN(C)Cc1c2ccccc2oc1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178562920 407492583 /nfs/dbraw/zinc/49/25/83/407492583.db2.gz GQZAZNWPCWZWLS-LBPRGKRZSA-N 1 3 301.390 1.915 50 0 DDAAHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCN(C)C1=O ZINC000179396054 407781617 /nfs/dbraw/zinc/78/16/17/407781617.db2.gz HGRQTTXFHVFRMI-QGZVFWFLSA-N 1 3 316.449 1.851 50 0 DDAAHO COc1cccc(C[NH2+]CC[C@H]2CCC(=O)N2CCN(C)C)c1 ZINC000299771984 410618052 /nfs/dbraw/zinc/61/80/52/410618052.db2.gz YWLGJLIHNNIVIN-MRXNPFEDSA-N 1 3 319.449 1.728 50 0 DDAAHO CN(CCN(C)C1CC1)C(=O)[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000328599229 529902295 /nfs/dbraw/zinc/90/22/95/529902295.db2.gz QSBNFTXHKYOWJC-ZWKOTPCHSA-N 1 3 315.461 1.884 50 0 DDAAHO CN(CCN(C)C1CC1)C(=O)[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000328599229 529902296 /nfs/dbraw/zinc/90/22/96/529902296.db2.gz QSBNFTXHKYOWJC-ZWKOTPCHSA-N 1 3 315.461 1.884 50 0 DDAAHO C[C@@H]1CN(CC2CCN(C(=O)[C@@H]3CCC[C@@H]3[NH3+])CC2)C[C@H](C)O1 ZINC000237603987 202300390 /nfs/dbraw/zinc/30/03/90/202300390.db2.gz AXXXGMYQHFWVOR-WTTBNOFXSA-N 1 3 323.481 1.462 50 0 DDAAHO CC(C)C[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)N(C)C2)CC1 ZINC000581802127 737344271 /nfs/dbraw/zinc/34/42/71/737344271.db2.gz AMUJODFLJJKOFD-MRXNPFEDSA-N 1 3 323.481 1.288 50 0 DDAAHO Cc1cccc([C@@H](CNC(=O)NC2CC[NH2+]CC2)N(C)C)c1 ZINC000828015612 759450277 /nfs/dbraw/zinc/45/02/77/759450277.db2.gz CBVKICGGBWTEJC-MRXNPFEDSA-N 1 3 304.438 1.649 50 0 DDAAHO O=c1c2c(ncn1CCN1CCCC1)sc1c2CC[NH2+]C1 ZINC000077376564 406987497 /nfs/dbraw/zinc/98/74/97/406987497.db2.gz CBABRBSQDKXBQY-UHFFFAOYSA-N 1 3 304.419 1.200 50 0 DDAAHO CN1CC2(C[C@H]1C(=O)N1CCOCC1)CC[NH+](CC1CC1)CC2 ZINC000257181992 407484933 /nfs/dbraw/zinc/48/49/33/407484933.db2.gz OICMCBLDAGPNBJ-INIZCTEOSA-N 1 3 321.465 1.042 50 0 DDAAHO O=C(C[C@H]1C[NH2+]CCO1)NC1CCN(Cc2cccs2)CC1 ZINC000216280814 407496718 /nfs/dbraw/zinc/49/67/18/407496718.db2.gz BVVGDQOGVLVDFY-AWEZNQCLSA-N 1 3 323.462 1.207 50 0 DDAAHO CN(CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCN(C)C1=O ZINC000179396044 407783035 /nfs/dbraw/zinc/78/30/35/407783035.db2.gz HGRQTTXFHVFRMI-KRWDZBQOSA-N 1 3 316.449 1.851 50 0 DDAAHO CC[N@H+](C)C[C@H]1CCN(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)C1 ZINC000084760824 484001450 /nfs/dbraw/zinc/00/14/50/484001450.db2.gz ZZNOGZMAMCUGBT-IXDOHACOSA-N 1 3 324.513 1.948 50 0 DDAAHO CC[N@@H+](C)C[C@H]1CCN(C(=O)NCCN2C[C@H](C)C[C@H](C)C2)C1 ZINC000084760824 484001458 /nfs/dbraw/zinc/00/14/58/484001458.db2.gz ZZNOGZMAMCUGBT-IXDOHACOSA-N 1 3 324.513 1.948 50 0 DDAAHO O=C(N[C@H]1CC[NH2+]C1)C1(N2CCCCC2)Cc2ccccc2C1 ZINC000072121604 518200736 /nfs/dbraw/zinc/20/07/36/518200736.db2.gz AXUBTFHWMSFPSB-KRWDZBQOSA-N 1 3 313.445 1.488 50 0 DDAAHO C[N@@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000108588267 257242458 /nfs/dbraw/zinc/24/24/58/257242458.db2.gz OVRNCWIQYJDPGT-HNNXBMFYSA-N 1 3 317.437 1.255 50 0 DDAAHO C[N@H+]1CCC[C@@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000108588267 257242459 /nfs/dbraw/zinc/24/24/59/257242459.db2.gz OVRNCWIQYJDPGT-HNNXBMFYSA-N 1 3 317.437 1.255 50 0 DDAAHO CCN1CCCC[C@@H]1C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000078498267 407030655 /nfs/dbraw/zinc/03/06/55/407030655.db2.gz PQVFLLBCQXDIHW-MRXNPFEDSA-N 1 3 302.422 1.605 50 0 DDAAHO CC[NH+]1CCN(c2ccc(C(=O)N3CCN[C@H](C)C3)cc2)CC1 ZINC000188409697 222013166 /nfs/dbraw/zinc/01/31/66/222013166.db2.gz SWZRWEKAZXHEBJ-OAHLLOKOSA-N 1 3 316.449 1.262 50 0 DDAAHO Cc1c[nH+]ccc1N1CCN(C(=O)C(C)(C)N2CCCC2)CC1 ZINC000426544878 419501921 /nfs/dbraw/zinc/50/19/21/419501921.db2.gz CIVOQQZDEZXQNN-UHFFFAOYSA-N 1 3 316.449 1.913 50 0 DDAAHO COCCC[N@H+]1CC[C@@H](CNC2CSCCSC2)C1 ZINC000952980902 721531546 /nfs/dbraw/zinc/53/15/46/721531546.db2.gz RWCBGHJWJFYYJB-ZDUSSCGKSA-N 1 3 304.525 1.783 50 0 DDAAHO COCCC[N@@H+]1CC[C@@H](CNC2CSCCSC2)C1 ZINC000952980902 721531545 /nfs/dbraw/zinc/53/15/45/721531545.db2.gz RWCBGHJWJFYYJB-ZDUSSCGKSA-N 1 3 304.525 1.783 50 0 DDAAHO COCCCN1CC[C@@H](C[NH2+]C2CSCCSC2)C1 ZINC000952980902 721531543 /nfs/dbraw/zinc/53/15/43/721531543.db2.gz RWCBGHJWJFYYJB-ZDUSSCGKSA-N 1 3 304.525 1.783 50 0 DDAAHO C[NH+](C)C[C@H]1[C@@H]2CN(Cc3cnc(-c4ccccn4)nc3)C[C@H]12 ZINC000102076894 407319963 /nfs/dbraw/zinc/31/99/63/407319963.db2.gz PKYBOMKPQHCILO-PHZGNYQRSA-N 1 3 309.417 1.778 50 0 DDAAHO CC(C)[NH+]1CCC(NC(=O)CN2CC[C@]3(C2)CCCOC3)CC1 ZINC000375300984 307221086 /nfs/dbraw/zinc/22/10/86/307221086.db2.gz DKTLVHYOULQGCU-SFHVURJKSA-N 1 3 323.481 1.478 50 0 DDAAHO CC[C@@H](N)C(=O)N(C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000152945770 337383304 /nfs/dbraw/zinc/38/33/04/337383304.db2.gz WUJRHCYNRVIPOK-MRXNPFEDSA-N 1 3 304.438 1.884 50 0 DDAAHO CC[C@@H](C(=O)NCC1CCN(c2cc[nH+]cc2)CC1)N(C)C ZINC000089393744 192779594 /nfs/dbraw/zinc/77/95/94/192779594.db2.gz CGVATRZIQRKSAW-INIZCTEOSA-N 1 3 304.438 1.754 50 0 DDAAHO C[N@@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000108588264 257242446 /nfs/dbraw/zinc/24/24/46/257242446.db2.gz OVRNCWIQYJDPGT-OAHLLOKOSA-N 1 3 317.437 1.255 50 0 DDAAHO C[N@H+]1CCC[C@H](CNC(=O)N2CCN(c3ccncc3)CC2)C1 ZINC000108588264 257242447 /nfs/dbraw/zinc/24/24/47/257242447.db2.gz OVRNCWIQYJDPGT-OAHLLOKOSA-N 1 3 317.437 1.255 50 0 DDAAHO O=C(NCc1cccnc1)[C@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000082138594 192360617 /nfs/dbraw/zinc/36/06/17/192360617.db2.gz JBVPAVBYICKQKZ-HNNXBMFYSA-N 1 3 302.422 1.162 50 0 DDAAHO O=C(NCc1cccnc1)[C@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000082138594 192360620 /nfs/dbraw/zinc/36/06/20/192360620.db2.gz JBVPAVBYICKQKZ-HNNXBMFYSA-N 1 3 302.422 1.162 50 0 DDAAHO O=C(NCc1cccnc1)[C@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000082138594 192360623 /nfs/dbraw/zinc/36/06/23/192360623.db2.gz JBVPAVBYICKQKZ-HNNXBMFYSA-N 1 3 302.422 1.162 50 0 DDAAHO O=C(CNC[C@H]1CCCO1)N1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000167773964 354250637 /nfs/dbraw/zinc/25/06/37/354250637.db2.gz FOVNEYBQTHCBNV-HZPDHXFCSA-N 1 3 309.454 1.232 50 0 DDAAHO C[NH2+]CC(=O)N1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)cc1)C2 ZINC000091818020 193112632 /nfs/dbraw/zinc/11/26/32/193112632.db2.gz JWZLCOIKOPRYDM-JKSUJKDBSA-N 1 3 317.433 1.337 50 0 DDAAHO COCCN(C(=O)Nc1cccc(C[NH3+])c1)C1CCN(C)CC1 ZINC000097475436 407298528 /nfs/dbraw/zinc/29/85/28/407298528.db2.gz LYWNBEQKBDPLKH-UHFFFAOYSA-N 1 3 320.437 1.720 50 0 DDAAHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000097681886 407301432 /nfs/dbraw/zinc/30/14/32/407301432.db2.gz CAPJJVOLNGAVGI-SFHVURJKSA-N 1 3 301.434 1.916 50 0 DDAAHO CN(C)Cc1cccc(C(=O)N2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000097681886 407301433 /nfs/dbraw/zinc/30/14/33/407301433.db2.gz CAPJJVOLNGAVGI-SFHVURJKSA-N 1 3 301.434 1.916 50 0 DDAAHO C[NH+](C)[C@@H]1CCN(C(=O)c2cccc(-c3cnccc3N)c2)C1 ZINC000426473728 419481973 /nfs/dbraw/zinc/48/19/73/419481973.db2.gz XHIQIOPLVLMPBI-OAHLLOKOSA-N 1 3 310.401 1.937 50 0 DDAAHO CN1CCCCC[C@@H]1C(=O)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000952962155 721528391 /nfs/dbraw/zinc/52/83/91/721528391.db2.gz BYWCYCLXUIJQAE-MRXNPFEDSA-N 1 3 323.481 1.310 50 0 DDAAHO C[C@](O)(C[C@@H](O)CN1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CC1 ZINC000952877180 775627924 /nfs/dbraw/zinc/62/79/24/775627924.db2.gz MFDWFMYNXQRVIC-YSHGAJCASA-N 1 3 318.461 1.573 50 0 DDAAHO Cc1cccc(N2CCN(CCC(=O)N3CC[C@H]([NH3+])C3)CC2)c1 ZINC000237718712 202337490 /nfs/dbraw/zinc/33/74/90/202337490.db2.gz SHCBPDDCRIIAIJ-INIZCTEOSA-N 1 3 316.449 1.067 50 0 DDAAHO CN(C)C[C@H](c1ccccc1)N(C)C(=O)C1(O)CC[NH+](C)CC1 ZINC000097468364 193723782 /nfs/dbraw/zinc/72/37/82/193723782.db2.gz XXXSHDBUDQOPEM-MRXNPFEDSA-N 1 3 319.449 1.204 50 0 DDAAHO O=C(NCc1ccccn1)[C@@H]1CCCN(C2CC[NH2+]CC2)C1 ZINC000082092646 407080917 /nfs/dbraw/zinc/08/09/17/407080917.db2.gz HQOFHZCAKOZAOU-CQSZACIVSA-N 1 3 302.422 1.162 50 0 DDAAHO O=C(NCc1ccccn1)[C@@H]1CCC[N@@H+](C2CCNCC2)C1 ZINC000082092646 407080921 /nfs/dbraw/zinc/08/09/21/407080921.db2.gz HQOFHZCAKOZAOU-CQSZACIVSA-N 1 3 302.422 1.162 50 0 DDAAHO O=C(NCc1ccccn1)[C@@H]1CCC[N@H+](C2CCNCC2)C1 ZINC000082092646 407080924 /nfs/dbraw/zinc/08/09/24/407080924.db2.gz HQOFHZCAKOZAOU-CQSZACIVSA-N 1 3 302.422 1.162 50 0 DDAAHO CC(=O)Nc1ccc(CN2CC[C@@H](C[NH+](C)C)[C@H](O)C2)cc1 ZINC000215861678 407489222 /nfs/dbraw/zinc/48/92/22/407489222.db2.gz LBJOMLOWYHLCFV-DOTOQJQBSA-N 1 3 305.422 1.389 50 0 DDAAHO CC(C)[NH+]1CCC2(C[C@H](C(=O)N3CCOCC3)N(C)C2)CC1 ZINC000581802802 761709555 /nfs/dbraw/zinc/70/95/55/761709555.db2.gz OWQYFNCCLOVTCO-OAHLLOKOSA-N 1 3 309.454 1.040 50 0 DDAAHO C(CN1CCCC1)Nc1nc(CC2CC2)nc2c1CC[NH2+]CC2 ZINC000072477460 191179808 /nfs/dbraw/zinc/17/98/08/191179808.db2.gz UYKVMGPXUGCHIO-UHFFFAOYSA-N 1 3 315.465 1.625 50 0 DDAAHO CC[N@@H+]1CCC[C@@H]1Cn1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072480969 191181268 /nfs/dbraw/zinc/18/12/68/191181268.db2.gz AIJNNZYRUJHNJQ-CQSZACIVSA-N 1 3 314.437 1.724 50 0 DDAAHO CC[N@H+]1CCC[C@@H]1Cn1ccnc1-c1cc2n(n1)CCCNC2 ZINC000072480969 191181271 /nfs/dbraw/zinc/18/12/71/191181271.db2.gz AIJNNZYRUJHNJQ-CQSZACIVSA-N 1 3 314.437 1.724 50 0 DDAAHO C[C@@H](N)C(=O)N1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000095088907 407205984 /nfs/dbraw/zinc/20/59/84/407205984.db2.gz ORVGAQKEQXPYTR-OAHLLOKOSA-N 1 3 301.434 1.848 50 0 DDAAHO C[C@@H](N)C(=O)N1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000095088907 407205986 /nfs/dbraw/zinc/20/59/86/407205986.db2.gz ORVGAQKEQXPYTR-OAHLLOKOSA-N 1 3 301.434 1.848 50 0 DDAAHO C[NH2+]C[C@@H]1CCN(C(=O)c2ccccc2OCCN(C)C)C1 ZINC000178982068 407679873 /nfs/dbraw/zinc/67/98/73/407679873.db2.gz LOEOXDNAFHMNAV-AWEZNQCLSA-N 1 3 305.422 1.309 50 0 DDAAHO