smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)CCC1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160635740 354239038 /nfs/dbraw/zinc/23/90/38/354239038.db2.gz FUCGCOCBMCVQLM-QGZVFWFLSA-N 1 3 322.497 1.844 20 70 DDIDHO [NH3+][C@H]1CCC[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000160980940 484071201 /nfs/dbraw/zinc/07/12/01/484071201.db2.gz YWOUIECXCCWJOW-LSDHHAIUSA-N 1 3 309.454 1.408 20 70 DDIDHO CCN1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000159920624 285209878 /nfs/dbraw/zinc/20/98/78/285209878.db2.gz WYHPTHWUBOFRGM-MQVJKMGUSA-N 1 3 308.470 1.739 20 70 DDIDHO CCN1CCCN(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000159920624 285209885 /nfs/dbraw/zinc/20/98/85/285209885.db2.gz WYHPTHWUBOFRGM-MQVJKMGUSA-N 1 3 308.470 1.739 20 70 DDIDHO C[C@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccncc1 ZINC000159972812 539219162 /nfs/dbraw/zinc/21/91/62/539219162.db2.gz NRJLLRLHCOHZJB-OAHLLOKOSA-N 1 3 306.454 1.527 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000159974948 408449006 /nfs/dbraw/zinc/44/90/06/408449006.db2.gz FBLWPQLMXMXVNM-INIZCTEOSA-N 1 3 310.486 1.702 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000159974948 408449008 /nfs/dbraw/zinc/44/90/08/408449008.db2.gz FBLWPQLMXMXVNM-INIZCTEOSA-N 1 3 310.486 1.702 20 70 DDIDHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000160656287 354239881 /nfs/dbraw/zinc/23/98/81/354239881.db2.gz LUOUGUVGNWXRGD-DLBZAZTESA-N 1 3 320.481 1.741 20 70 DDIDHO CCN1CCCN(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159740532 285211160 /nfs/dbraw/zinc/21/11/60/285211160.db2.gz NHDIUPFUSMZZNY-HOTGVXAUSA-N 1 3 310.486 1.844 20 70 DDIDHO CCN1CCCN(C(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159740532 285211165 /nfs/dbraw/zinc/21/11/65/285211165.db2.gz NHDIUPFUSMZZNY-HOTGVXAUSA-N 1 3 310.486 1.844 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000159774423 408432487 /nfs/dbraw/zinc/43/24/87/408432487.db2.gz FZOZDSJWAHFXPU-INIZCTEOSA-N 1 3 310.486 1.844 20 70 DDIDHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160599028 408502942 /nfs/dbraw/zinc/50/29/42/408502942.db2.gz HMVNDJZMFFKULT-APWZRJJASA-N 1 3 317.477 1.949 20 70 DDIDHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160599028 408502947 /nfs/dbraw/zinc/50/29/47/408502947.db2.gz HMVNDJZMFFKULT-APWZRJJASA-N 1 3 317.477 1.949 20 70 DDIDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160599028 408502952 /nfs/dbraw/zinc/50/29/52/408502952.db2.gz HMVNDJZMFFKULT-APWZRJJASA-N 1 3 317.477 1.949 20 70 DDIDHO O=C(NC[C@H]1CCCN(Cc2ccsc2)C1)[C@@H]1CCC[NH2+]1 ZINC000217031763 163330803 /nfs/dbraw/zinc/33/08/03/163330803.db2.gz KIRMKRLLZWGKHR-HIFRSBDPSA-N 1 3 307.463 1.828 20 70 DDIDHO CCN1CCCN(C(=O)NCC(C)(C)[NH+]2CCCCC2)CC1 ZINC000159531320 408414368 /nfs/dbraw/zinc/41/43/68/408414368.db2.gz QFCQWVPUDVNIMJ-UHFFFAOYSA-N 1 3 310.486 1.988 20 70 DDIDHO CN(C)Cc1cccc(C(=O)NC[C@@H](O)C[NH+]2CCCCC2)c1 ZINC000160388499 408478262 /nfs/dbraw/zinc/47/82/62/408478262.db2.gz YJQYPDWNRNGKOS-QGZVFWFLSA-N 1 3 319.449 1.325 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)CC1 ZINC000159975088 408449874 /nfs/dbraw/zinc/44/98/74/408449874.db2.gz FBLWPQLMXMXVNM-MRXNPFEDSA-N 1 3 310.486 1.702 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)CC1 ZINC000159975088 408449880 /nfs/dbraw/zinc/44/98/80/408449880.db2.gz FBLWPQLMXMXVNM-MRXNPFEDSA-N 1 3 310.486 1.702 20 70 DDIDHO C[C@@H]1CN(CC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1 ZINC000159794371 408436396 /nfs/dbraw/zinc/43/63/96/408436396.db2.gz QWTRYYQPOTUURT-IYBDPMFKSA-N 1 3 306.454 1.704 20 70 DDIDHO CCN1CCCN(C(=O)NCc2cccc(C[NH+](C)C)c2)CC1 ZINC000159660240 186133472 /nfs/dbraw/zinc/13/34/72/186133472.db2.gz HAWHJYVBLXTGEB-UHFFFAOYSA-N 1 3 318.465 1.985 20 70 DDIDHO C[C@@H]1CCO[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000159609326 408418946 /nfs/dbraw/zinc/41/89/46/408418946.db2.gz GMQCPZAJJRLWLH-CZUORRHYSA-N 1 3 309.454 1.086 20 70 DDIDHO C[NH2+][C@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000160754486 408520133 /nfs/dbraw/zinc/52/01/33/408520133.db2.gz MBKWMZICIBMEHF-INIZCTEOSA-N 1 3 316.449 1.019 20 70 DDIDHO COc1ccc(CNC(=O)C[NH2+][C@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000160980054 408547235 /nfs/dbraw/zinc/54/72/35/408547235.db2.gz NPJDTTCJCZPDDL-CPUCHLNUSA-N 1 3 319.449 1.630 20 70 DDIDHO [NH3+][C@@H]1CCC[C@@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000160981186 484071341 /nfs/dbraw/zinc/07/13/41/484071341.db2.gz YWOUIECXCCWJOW-HUUCEWRRSA-N 1 3 309.454 1.408 20 70 DDIDHO COC[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)C ZINC000161264487 408579555 /nfs/dbraw/zinc/57/95/55/408579555.db2.gz NQOIOCKQNHDLJT-QGZVFWFLSA-N 1 3 321.465 1.739 20 70 DDIDHO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160699765 354240302 /nfs/dbraw/zinc/24/03/02/354240302.db2.gz AKLINSKZJQUZEK-JKSUJKDBSA-N 1 3 308.470 1.454 20 70 DDIDHO CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160699765 354240305 /nfs/dbraw/zinc/24/03/05/354240305.db2.gz AKLINSKZJQUZEK-JKSUJKDBSA-N 1 3 308.470 1.454 20 70 DDIDHO CCOC[C@H](O)C[NH+]1CCC(CN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000217183571 201510779 /nfs/dbraw/zinc/51/07/79/201510779.db2.gz DUHQKLHGQSOSSA-YQQAZPJKSA-N 1 3 314.470 1.205 20 70 DDIDHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000160656017 354240189 /nfs/dbraw/zinc/24/01/89/354240189.db2.gz LUOUGUVGNWXRGD-IAGOWNOFSA-N 1 3 320.481 1.741 20 70 DDIDHO CCN1CCCN(C(=O)NC2CC[NH+](CC(C)C)CC2)CC1 ZINC000159580270 285210157 /nfs/dbraw/zinc/21/01/57/285210157.db2.gz ZMQDLGPINRZILB-UHFFFAOYSA-N 1 3 310.486 1.844 20 70 DDIDHO CN(C)CCN(C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)C1CCCC1 ZINC000160705506 408514972 /nfs/dbraw/zinc/51/49/72/408514972.db2.gz ADQZIVKOPGKBBT-OAHLLOKOSA-N 1 3 322.497 1.987 20 70 DDIDHO CN(C)CCN(C(=O)NC[C@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000160705506 408514978 /nfs/dbraw/zinc/51/49/78/408514978.db2.gz ADQZIVKOPGKBBT-OAHLLOKOSA-N 1 3 322.497 1.987 20 70 DDIDHO C[NH+]1CCC(N2CCC(NC(=O)NC3(C)CCC3)CC2)CC1 ZINC000160333698 523767376 /nfs/dbraw/zinc/76/73/76/523767376.db2.gz WTRARWZGNXESSR-UHFFFAOYSA-N 1 3 308.470 1.787 20 70 DDIDHO CCN1CCCN(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159740695 285214166 /nfs/dbraw/zinc/21/41/66/285214166.db2.gz NHDIUPFUSMZZNY-JKSUJKDBSA-N 1 3 310.486 1.844 20 70 DDIDHO CCN1CCCN(C(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159740695 285214169 /nfs/dbraw/zinc/21/41/69/285214169.db2.gz NHDIUPFUSMZZNY-JKSUJKDBSA-N 1 3 310.486 1.844 20 70 DDIDHO C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160462561 524563355 /nfs/dbraw/zinc/56/33/55/524563355.db2.gz DNBFCPWHVGJODY-LPHOPBHVSA-N 1 3 317.477 1.949 20 70 DDIDHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000160462561 524563361 /nfs/dbraw/zinc/56/33/61/524563361.db2.gz DNBFCPWHVGJODY-LPHOPBHVSA-N 1 3 317.477 1.949 20 70 DDIDHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000160462561 524563369 /nfs/dbraw/zinc/56/33/69/524563369.db2.gz DNBFCPWHVGJODY-LPHOPBHVSA-N 1 3 317.477 1.949 20 70 DDIDHO CN(CCN1CCCC1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160827227 408527546 /nfs/dbraw/zinc/52/75/46/408527546.db2.gz HOWMVHWBORJIEO-HNNXBMFYSA-N 1 3 308.470 1.741 20 70 DDIDHO CN(CCN1CCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000160827227 408527551 /nfs/dbraw/zinc/52/75/51/408527551.db2.gz HOWMVHWBORJIEO-HNNXBMFYSA-N 1 3 308.470 1.741 20 70 DDIDHO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000216917307 484142739 /nfs/dbraw/zinc/14/27/39/484142739.db2.gz JHVOWJRKJQMQMK-DLBZAZTESA-N 1 3 322.497 1.987 20 70 DDIDHO CC(C)[N@H+]1CCC[C@@H](CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000216917307 484142747 /nfs/dbraw/zinc/14/27/47/484142747.db2.gz JHVOWJRKJQMQMK-DLBZAZTESA-N 1 3 322.497 1.987 20 70 DDIDHO CN1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000161431683 408603412 /nfs/dbraw/zinc/60/34/12/408603412.db2.gz KJPWSKCSPIROOM-LSDHHAIUSA-N 1 3 317.499 1.265 20 70 DDIDHO CN1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000161431683 408603414 /nfs/dbraw/zinc/60/34/14/408603414.db2.gz KJPWSKCSPIROOM-LSDHHAIUSA-N 1 3 317.499 1.265 20 70 DDIDHO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160618973 354239158 /nfs/dbraw/zinc/23/91/58/354239158.db2.gz POYBMFDYJSHCEP-MRXNPFEDSA-N 1 3 320.481 1.741 20 70 DDIDHO O=C(N[C@@H]1CC[N@@H+](CC2CC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160618973 354239161 /nfs/dbraw/zinc/23/91/61/354239161.db2.gz POYBMFDYJSHCEP-MRXNPFEDSA-N 1 3 320.481 1.741 20 70 DDIDHO CN1CCC[C@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160978006 408547632 /nfs/dbraw/zinc/54/76/32/408547632.db2.gz IEBMZHCZAVIWJF-INIZCTEOSA-N 1 3 310.486 1.844 20 70 DDIDHO COC[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)C(C)C ZINC000161264607 408579107 /nfs/dbraw/zinc/57/91/07/408579107.db2.gz NQOIOCKQNHDLJT-KRWDZBQOSA-N 1 3 321.465 1.739 20 70 DDIDHO CCN1CCCN(C(=O)NCCC2CC[NH+](CC)CC2)CC1 ZINC000159912716 408443455 /nfs/dbraw/zinc/44/34/55/408443455.db2.gz VZCAZKMJCCHPKH-UHFFFAOYSA-N 1 3 310.486 1.846 20 70 DDIDHO CC(C)[NH2+]C1CCN(C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160772930 354240873 /nfs/dbraw/zinc/24/08/73/354240873.db2.gz PHEVTVFWTVSQQF-MRXNPFEDSA-N 1 3 308.470 1.643 20 70 DDIDHO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160619103 354239232 /nfs/dbraw/zinc/23/92/32/354239232.db2.gz POYBMFDYJSHCEP-INIZCTEOSA-N 1 3 320.481 1.741 20 70 DDIDHO O=C(N[C@H]1CC[N@@H+](CC2CC2)C1)N1CCN(C2CCCC2)CC1 ZINC000160619103 354239235 /nfs/dbraw/zinc/23/92/35/354239235.db2.gz POYBMFDYJSHCEP-INIZCTEOSA-N 1 3 320.481 1.741 20 70 DDIDHO CCN1CCC[C@@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160327854 408471262 /nfs/dbraw/zinc/47/12/62/408471262.db2.gz JKXXTWMSDUVYHE-UYSNPLJNSA-N 1 3 310.486 1.890 20 70 DDIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@@H](C)COC)CC1 ZINC000160363348 248314891 /nfs/dbraw/zinc/31/48/91/248314891.db2.gz ZOXIJDRPJASIGE-INIZCTEOSA-N 1 3 305.466 1.949 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000159823942 408435683 /nfs/dbraw/zinc/43/56/83/408435683.db2.gz UKZSDUXECUDWTF-MRXNPFEDSA-N 1 3 310.486 1.844 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000159823942 408435692 /nfs/dbraw/zinc/43/56/92/408435692.db2.gz UKZSDUXECUDWTF-MRXNPFEDSA-N 1 3 310.486 1.844 20 70 DDIDHO CCN1CCN(Cc2ccccc2C[NH2+][C@H](C)COC)CC1 ZINC000160363459 408475244 /nfs/dbraw/zinc/47/52/44/408475244.db2.gz ZOXIJDRPJASIGE-MRXNPFEDSA-N 1 3 305.466 1.949 20 70 DDIDHO CCN1CCCN(C(=O)NCCC[NH+]2CCC(C)CC2)CC1 ZINC000159556290 408417490 /nfs/dbraw/zinc/41/74/90/408417490.db2.gz KSUURNPNWPQTJB-UHFFFAOYSA-N 1 3 310.486 1.846 20 70 DDIDHO COC[C@@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000160626983 408506220 /nfs/dbraw/zinc/50/62/20/408506220.db2.gz SWZYRMNUMIYVMR-SJORKVTESA-N 1 3 319.449 1.420 20 70 DDIDHO C[C@@H](CC(=O)N(CCN(C)C)CC[NH+](C)C)c1ccncc1 ZINC000159972680 539219225 /nfs/dbraw/zinc/21/92/25/539219225.db2.gz NRJLLRLHCOHZJB-HNNXBMFYSA-N 1 3 306.454 1.527 20 70 DDIDHO COC(=O)CC[N@H+](CCCN1CCCCC1)C[C@@H]1CCCO1 ZINC000161123690 408562445 /nfs/dbraw/zinc/56/24/45/408562445.db2.gz SQKPBQURMMZQME-INIZCTEOSA-N 1 3 312.454 1.907 20 70 DDIDHO COC(=O)CC[N@@H+](CCCN1CCCCC1)C[C@@H]1CCCO1 ZINC000161123690 408562448 /nfs/dbraw/zinc/56/24/48/408562448.db2.gz SQKPBQURMMZQME-INIZCTEOSA-N 1 3 312.454 1.907 20 70 DDIDHO C[C@@H](C(=O)N1CC[C@@H]([NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000160254570 197395903 /nfs/dbraw/zinc/39/59/03/197395903.db2.gz TVPIOTQGFHBKJG-MAUKXSAKSA-N 1 3 315.461 1.889 20 70 DDIDHO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159602027 408418873 /nfs/dbraw/zinc/41/88/73/408418873.db2.gz FEEVKIBHIUZKGZ-INIZCTEOSA-N 1 3 312.502 1.946 20 70 DDIDHO CC(C)C[N@H+]1CC[C@@H](CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159602027 408418878 /nfs/dbraw/zinc/41/88/78/408418878.db2.gz FEEVKIBHIUZKGZ-INIZCTEOSA-N 1 3 312.502 1.946 20 70 DDIDHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CCOC1 ZINC000161220467 408574463 /nfs/dbraw/zinc/57/44/63/408574463.db2.gz JYSKHROWCAKPRP-WMLDXEAASA-N 1 3 319.449 1.493 20 70 DDIDHO C[C@@H]1CCO[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000159609056 408418418 /nfs/dbraw/zinc/41/84/18/408418418.db2.gz GMQCPZAJJRLWLH-CJNGLKHVSA-N 1 3 309.454 1.086 20 70 DDIDHO CN1CCC(NC(=O)N2CCC(CCC[NH+](C)C)CC2)CC1 ZINC000159827969 290763464 /nfs/dbraw/zinc/76/34/64/290763464.db2.gz LYXVAHHQHSMTQV-UHFFFAOYSA-N 1 3 310.486 1.844 20 70 DDIDHO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159601921 408419318 /nfs/dbraw/zinc/41/93/18/408419318.db2.gz FEEVKIBHIUZKGZ-MRXNPFEDSA-N 1 3 312.502 1.946 20 70 DDIDHO CC(C)C[N@H+]1CC[C@H](CNC(=O)N(CCN(C)C)C(C)C)C1 ZINC000159601921 408419319 /nfs/dbraw/zinc/41/93/19/408419319.db2.gz FEEVKIBHIUZKGZ-MRXNPFEDSA-N 1 3 312.502 1.946 20 70 DDIDHO CCN1CCCN(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000159925864 408444404 /nfs/dbraw/zinc/44/44/04/408444404.db2.gz KTQHHVDHEXGWJR-KRWDZBQOSA-N 1 3 322.497 1.988 20 70 DDIDHO CCN1CCCN(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000159925864 408444409 /nfs/dbraw/zinc/44/44/09/408444409.db2.gz KTQHHVDHEXGWJR-KRWDZBQOSA-N 1 3 322.497 1.988 20 70 DDIDHO CN1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000161431551 408601751 /nfs/dbraw/zinc/60/17/51/408601751.db2.gz KJPWSKCSPIROOM-HUUCEWRRSA-N 1 3 317.499 1.265 20 70 DDIDHO CN1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000161431551 408601753 /nfs/dbraw/zinc/60/17/53/408601753.db2.gz KJPWSKCSPIROOM-HUUCEWRRSA-N 1 3 317.499 1.265 20 70 DDIDHO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(CC)CC1 ZINC000159884862 408441145 /nfs/dbraw/zinc/44/11/45/408441145.db2.gz NRRZCAJTNKUPBA-MRXNPFEDSA-N 1 3 310.486 1.988 20 70 DDIDHO CC[C@@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(CC)CC1 ZINC000159884862 408441151 /nfs/dbraw/zinc/44/11/51/408441151.db2.gz NRRZCAJTNKUPBA-MRXNPFEDSA-N 1 3 310.486 1.988 20 70 DDIDHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@@H]1CCOC1 ZINC000161220589 408574483 /nfs/dbraw/zinc/57/44/83/408574483.db2.gz JYSKHROWCAKPRP-RHSMWYFYSA-N 1 3 319.449 1.493 20 70 DDIDHO COc1ccc(CNC(=O)C[NH2+][C@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000160980186 408546835 /nfs/dbraw/zinc/54/68/35/408546835.db2.gz NPJDTTCJCZPDDL-KEYYUXOJSA-N 1 3 319.449 1.630 20 70 DDIDHO Cc1c(C(=O)N(CCN(C)C)CC[NH+](C)C)cnn1CC(C)C ZINC000161273316 408582059 /nfs/dbraw/zinc/58/20/59/408582059.db2.gz ZRDIVLDEZDYWCG-UHFFFAOYSA-N 1 3 323.485 1.413 20 70 DDIDHO O=C(CN1CCCC1)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000160897829 518198538 /nfs/dbraw/zinc/19/85/38/518198538.db2.gz VTEFLPXHAAGBDW-UHFFFAOYSA-N 1 3 322.497 1.102 20 70 DDIDHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160694502 354240168 /nfs/dbraw/zinc/24/01/68/354240168.db2.gz ANDKZZBTFSUMBY-INIZCTEOSA-N 1 3 310.486 1.700 20 70 DDIDHO CC(C)CN(CCN(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CC2)C1 ZINC000160694502 354240174 /nfs/dbraw/zinc/24/01/74/354240174.db2.gz ANDKZZBTFSUMBY-INIZCTEOSA-N 1 3 310.486 1.700 20 70 DDIDHO C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(CN2CCOCC2)cc1 ZINC000160599146 408502275 /nfs/dbraw/zinc/50/22/75/408502275.db2.gz HMVNDJZMFFKULT-LPHOPBHVSA-N 1 3 317.477 1.949 20 70 DDIDHO C[C@H]1C[N@H+](C)CC[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160599146 408502282 /nfs/dbraw/zinc/50/22/82/408502282.db2.gz HMVNDJZMFFKULT-LPHOPBHVSA-N 1 3 317.477 1.949 20 70 DDIDHO C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1ccc(CN2CCOCC2)cc1 ZINC000160599146 408502288 /nfs/dbraw/zinc/50/22/88/408502288.db2.gz HMVNDJZMFFKULT-LPHOPBHVSA-N 1 3 317.477 1.949 20 70 DDIDHO CCN1CCN([C@H]2CCN(CCC[NH+]3CCCCC3)C2)CC1 ZINC000161350901 408591185 /nfs/dbraw/zinc/59/11/85/408591185.db2.gz LYDIFYOFXLZTGN-SFHVURJKSA-N 1 3 308.514 1.574 20 70 DDIDHO CN(C)Cc1cccc(C(=O)NCC2CC[NH+](CCO)CC2)c1 ZINC000160579169 408500110 /nfs/dbraw/zinc/50/01/10/408500110.db2.gz NDRHUSXARWEXPD-UHFFFAOYSA-N 1 3 319.449 1.182 20 70 DDIDHO CCC(CC)(C[NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000161272729 408582118 /nfs/dbraw/zinc/58/21/18/408582118.db2.gz DWQYEIMCXIDCCZ-HUUCEWRRSA-N 1 3 313.486 1.757 20 70 DDIDHO CCN1CCCN(C(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000159886028 276162426 /nfs/dbraw/zinc/16/24/26/276162426.db2.gz BMYXHTVVYJIFJS-HNNXBMFYSA-N 1 3 308.470 1.741 20 70 DDIDHO CCN1CCCN(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000159886028 276162427 /nfs/dbraw/zinc/16/24/27/276162427.db2.gz BMYXHTVVYJIFJS-HNNXBMFYSA-N 1 3 308.470 1.741 20 70 DDIDHO CC(C)N(CCN(C)C)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000159533142 279430743 /nfs/dbraw/zinc/43/07/43/279430743.db2.gz JEMIXNLCNAXMQG-CQSZACIVSA-N 1 3 300.491 1.944 20 70 DDIDHO Cn1ncc2c1CCC[C@H]2NCCN1CCC([NH+](C)C)CC1 ZINC000160288677 408468583 /nfs/dbraw/zinc/46/85/83/408468583.db2.gz MOKWQWPDMFQOKR-MRXNPFEDSA-N 1 3 305.470 1.413 20 70 DDIDHO CC(=O)NC1CCC([NH2+]C2CCN(CCN(C)C)CC2)CC1 ZINC000161271560 408581071 /nfs/dbraw/zinc/58/10/71/408581071.db2.gz DDQBHSASFMHGPT-UHFFFAOYSA-N 1 3 310.486 1.049 20 70 DDIDHO C[C@@H]1CN(CC2CC[NH+](CCn3ccnc3)CC2)C[C@@H](C)O1 ZINC000159794603 408436308 /nfs/dbraw/zinc/43/63/08/408436308.db2.gz QWTRYYQPOTUURT-HZPDHXFCSA-N 1 3 306.454 1.704 20 70 DDIDHO C(CN1CCC[C@H](CN2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161072267 408556943 /nfs/dbraw/zinc/55/69/43/408556943.db2.gz QKLSGSRGLDCUQN-SFHVURJKSA-N 1 3 309.498 1.907 20 70 DDIDHO C(CN1CCCCC1)C[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000161072267 408556948 /nfs/dbraw/zinc/55/69/48/408556948.db2.gz QKLSGSRGLDCUQN-SFHVURJKSA-N 1 3 309.498 1.907 20 70 DDIDHO C(CN1CCCCC1)C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000161072267 408556955 /nfs/dbraw/zinc/55/69/55/408556955.db2.gz QKLSGSRGLDCUQN-SFHVURJKSA-N 1 3 309.498 1.907 20 70 DDIDHO CCC[NH+]1CCC(N(C)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000160775474 354240802 /nfs/dbraw/zinc/24/08/02/354240802.db2.gz CBXUKBWKTACCTD-MRXNPFEDSA-N 1 3 322.497 1.987 20 70 DDIDHO CN(C[C@@H]1CCCN(C)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160854751 408532635 /nfs/dbraw/zinc/53/26/35/408532635.db2.gz AKZGVRXVNSCCTB-HZPDHXFCSA-N 1 3 322.497 1.987 20 70 DDIDHO CN(C[C@@H]1CCCN(C)C1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160854751 408532642 /nfs/dbraw/zinc/53/26/42/408532642.db2.gz AKZGVRXVNSCCTB-HZPDHXFCSA-N 1 3 322.497 1.987 20 70 DDIDHO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160699895 354239906 /nfs/dbraw/zinc/23/99/06/354239906.db2.gz AKLINSKZJQUZEK-HZPDHXFCSA-N 1 3 308.470 1.454 20 70 DDIDHO CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000160699895 354239910 /nfs/dbraw/zinc/23/99/10/354239910.db2.gz AKLINSKZJQUZEK-HZPDHXFCSA-N 1 3 308.470 1.454 20 70 DDIDHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160676123 354240392 /nfs/dbraw/zinc/24/03/92/354240392.db2.gz AXKCJJONYQSBOB-CVEARBPZSA-N 1 3 306.454 1.350 20 70 DDIDHO CCN1CCN(CCC(=O)N2CCC([NH2+]CC3CC3)CC2)CC1 ZINC000159819652 408436095 /nfs/dbraw/zinc/43/60/95/408436095.db2.gz MRHQAGGWIURSGC-UHFFFAOYSA-N 1 3 322.497 1.005 20 70 DDIDHO CCN1CCN(Cc2ccc(C[NH2+][C@H](C)COC)cc2)CC1 ZINC000160331207 408470986 /nfs/dbraw/zinc/47/09/86/408470986.db2.gz DDAROTFSUOCXIR-MRXNPFEDSA-N 1 3 305.466 1.949 20 70 DDIDHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000160656149 354240093 /nfs/dbraw/zinc/24/00/93/354240093.db2.gz LUOUGUVGNWXRGD-SJORKVTESA-N 1 3 320.481 1.741 20 70 DDIDHO CCC[NH+]1CCC(CNC(=O)N2CCCN(CC)CC2)CC1 ZINC000159788392 408433682 /nfs/dbraw/zinc/43/36/82/408433682.db2.gz SZTZOWZMKPMKBZ-UHFFFAOYSA-N 1 3 310.486 1.846 20 70 DDIDHO C[NH+](C)CCC1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160635867 354239939 /nfs/dbraw/zinc/23/99/39/354239939.db2.gz FUCGCOCBMCVQLM-KRWDZBQOSA-N 1 3 322.497 1.844 20 70 DDIDHO CCCC[NH+]1CCC(NC(=O)N2CCCN(CC)CC2)CC1 ZINC000159789316 408432720 /nfs/dbraw/zinc/43/27/20/408432720.db2.gz WITSZNGYLNOIDM-UHFFFAOYSA-N 1 3 310.486 1.988 20 70 DDIDHO C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160462426 524896569 /nfs/dbraw/zinc/89/65/69/524896569.db2.gz DNBFCPWHVGJODY-APWZRJJASA-N 1 3 317.477 1.949 20 70 DDIDHO C[C@@H]1C[N@H+](C)CC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000160462426 524896578 /nfs/dbraw/zinc/89/65/78/524896578.db2.gz DNBFCPWHVGJODY-APWZRJJASA-N 1 3 317.477 1.949 20 70 DDIDHO C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1ccccc1CN1CCOCC1 ZINC000160462426 524896584 /nfs/dbraw/zinc/89/65/84/524896584.db2.gz DNBFCPWHVGJODY-APWZRJJASA-N 1 3 317.477 1.949 20 70 DDIDHO Cn1ncc2c1CCC[C@@H]2NCCN1CCC([NH+](C)C)CC1 ZINC000160288824 408468660 /nfs/dbraw/zinc/46/86/60/408468660.db2.gz MOKWQWPDMFQOKR-INIZCTEOSA-N 1 3 305.470 1.413 20 70 DDIDHO CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)CC1 ZINC000159885907 279286242 /nfs/dbraw/zinc/28/62/42/279286242.db2.gz BMYXHTVVYJIFJS-OAHLLOKOSA-N 1 3 308.470 1.741 20 70 DDIDHO CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CC1 ZINC000159885907 279286244 /nfs/dbraw/zinc/28/62/44/279286244.db2.gz BMYXHTVVYJIFJS-OAHLLOKOSA-N 1 3 308.470 1.741 20 70 DDIDHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000160656416 354240404 /nfs/dbraw/zinc/24/04/04/354240404.db2.gz LUOUGUVGNWXRGD-IRXDYDNUSA-N 1 3 320.481 1.741 20 70 DDIDHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160676377 354240126 /nfs/dbraw/zinc/24/01/26/354240126.db2.gz AXKCJJONYQSBOB-HOTGVXAUSA-N 1 3 306.454 1.350 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159624227 408422521 /nfs/dbraw/zinc/42/25/21/408422521.db2.gz MGUAIBWNZCRRIA-HOTGVXAUSA-N 1 3 310.486 1.844 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159624227 408422528 /nfs/dbraw/zinc/42/25/28/408422528.db2.gz MGUAIBWNZCRRIA-HOTGVXAUSA-N 1 3 310.486 1.844 20 70 DDIDHO COC[C@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000160626853 408504485 /nfs/dbraw/zinc/50/44/85/408504485.db2.gz SWZYRMNUMIYVMR-DLBZAZTESA-N 1 3 319.449 1.420 20 70 DDIDHO C[C@H](C(=O)N1CC[C@@H]([NH3+])C1)N1CCC(Cc2ccccc2)CC1 ZINC000160254688 197395735 /nfs/dbraw/zinc/39/57/35/197395735.db2.gz TVPIOTQGFHBKJG-CRAIPNDOSA-N 1 3 315.461 1.889 20 70 DDIDHO C[NH2+][C@@H]1CCN(C(=O)CCN2CCN(c3ccccc3)CC2)C1 ZINC000160754360 408520716 /nfs/dbraw/zinc/52/07/16/408520716.db2.gz MBKWMZICIBMEHF-MRXNPFEDSA-N 1 3 316.449 1.019 20 70 DDIDHO Cc1ncc([C@H](C)NCCN2CCC([NH+](C)C)CC2)c(C)n1 ZINC000160200488 408463566 /nfs/dbraw/zinc/46/35/66/408463566.db2.gz LYUYIBGJYQTRJZ-ZDUSSCGKSA-N 1 3 305.470 1.770 20 70 DDIDHO C(CN1CCC[C@@H](CN2CCOCC2)C1)C[NH+]1CCCCC1 ZINC000161072397 408556704 /nfs/dbraw/zinc/55/67/04/408556704.db2.gz QKLSGSRGLDCUQN-GOSISDBHSA-N 1 3 309.498 1.907 20 70 DDIDHO C(CN1CCCCC1)C[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000161072397 408556711 /nfs/dbraw/zinc/55/67/11/408556711.db2.gz QKLSGSRGLDCUQN-GOSISDBHSA-N 1 3 309.498 1.907 20 70 DDIDHO C(CN1CCCCC1)C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000161072397 408556715 /nfs/dbraw/zinc/55/67/15/408556715.db2.gz QKLSGSRGLDCUQN-GOSISDBHSA-N 1 3 309.498 1.907 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC000159823808 408436466 /nfs/dbraw/zinc/43/64/66/408436466.db2.gz UKZSDUXECUDWTF-INIZCTEOSA-N 1 3 310.486 1.844 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000159823808 408436471 /nfs/dbraw/zinc/43/64/71/408436471.db2.gz UKZSDUXECUDWTF-INIZCTEOSA-N 1 3 310.486 1.844 20 70 DDIDHO CCC(CC)(C[NH3+])C(=O)NCCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000161272592 408582169 /nfs/dbraw/zinc/58/21/69/408582169.db2.gz DWQYEIMCXIDCCZ-GASCZTMLSA-N 1 3 313.486 1.757 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC000159774307 279285063 /nfs/dbraw/zinc/28/50/63/279285063.db2.gz FZOZDSJWAHFXPU-MRXNPFEDSA-N 1 3 310.486 1.844 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@H](C)C[NH+]2CCCCC2)CC1 ZINC000159714043 408427720 /nfs/dbraw/zinc/42/77/20/408427720.db2.gz GOKXAQVLALPPCE-INIZCTEOSA-N 1 3 310.486 1.846 20 70 DDIDHO COCC[N@H+](C)CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000160148705 408459646 /nfs/dbraw/zinc/45/96/46/408459646.db2.gz HCOKVWTVHUUQGX-UHFFFAOYSA-N 1 3 307.438 1.446 20 70 DDIDHO COCC[N@@H+](C)CCCNC(=O)c1ccc(CN(C)C)cc1 ZINC000160148705 408459654 /nfs/dbraw/zinc/45/96/54/408459654.db2.gz HCOKVWTVHUUQGX-UHFFFAOYSA-N 1 3 307.438 1.446 20 70 DDIDHO CCN1CCN(Cc2ccc(C[NH2+][C@@H](C)COC)cc2)CC1 ZINC000160331071 408469637 /nfs/dbraw/zinc/46/96/37/408469637.db2.gz DDAROTFSUOCXIR-INIZCTEOSA-N 1 3 305.466 1.949 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC000159713901 408426898 /nfs/dbraw/zinc/42/68/98/408426898.db2.gz GOKXAQVLALPPCE-MRXNPFEDSA-N 1 3 310.486 1.846 20 70 DDIDHO CCN1CCC[C@H]1CNC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000160327994 408470307 /nfs/dbraw/zinc/47/03/07/408470307.db2.gz JKXXTWMSDUVYHE-GPANFISMSA-N 1 3 310.486 1.890 20 70 DDIDHO CCN1CCN([C@@H]2CCN(CCC[NH+]3CCCCC3)C2)CC1 ZINC000161350764 408592817 /nfs/dbraw/zinc/59/28/17/408592817.db2.gz LYDIFYOFXLZTGN-GOSISDBHSA-N 1 3 308.514 1.574 20 70 DDIDHO [NH3+][C@H]1CCC[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000160981061 484071135 /nfs/dbraw/zinc/07/11/35/484071135.db2.gz YWOUIECXCCWJOW-GJZGRUSLSA-N 1 3 309.454 1.408 20 70 DDIDHO CC(C)[N@@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000216917336 484141612 /nfs/dbraw/zinc/14/16/12/484141612.db2.gz JHVOWJRKJQMQMK-IAGOWNOFSA-N 1 3 322.497 1.987 20 70 DDIDHO CC(C)[N@H+]1CCC[C@H](CNC(=O)N2CC[C@@H](N3CCCC3)C2)C1 ZINC000216917336 484141626 /nfs/dbraw/zinc/14/16/26/484141626.db2.gz JHVOWJRKJQMQMK-IAGOWNOFSA-N 1 3 322.497 1.987 20 70 DDIDHO CCN(CC)CC(=O)N1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161336369 408589418 /nfs/dbraw/zinc/58/94/18/408589418.db2.gz KFKDDKZUCBNREB-UHFFFAOYSA-N 1 3 324.513 1.348 20 70 DDIDHO CCN1CCCN(C(=O)NC2CC[NH+](C(C)(C)C)CC2)CC1 ZINC000159712448 285209920 /nfs/dbraw/zinc/20/99/20/285209920.db2.gz HGMYCAJTTRXVNY-UHFFFAOYSA-N 1 3 310.486 1.987 20 70 DDIDHO CCN1CCN(CCC(=O)NCC[NH2+]C2CCCCCC2)CC1 ZINC000159679175 521677706 /nfs/dbraw/zinc/67/77/06/521677706.db2.gz ITEMUPROVWHUKC-UHFFFAOYSA-N 1 3 324.513 1.443 20 70 DDIDHO CC[N@@H+]1CCCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000159736872 186138619 /nfs/dbraw/zinc/13/86/19/186138619.db2.gz SMXFREOABDFRNP-UHFFFAOYSA-N 1 3 318.465 1.856 20 70 DDIDHO CC[N@H+]1CCCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000159736872 186138620 /nfs/dbraw/zinc/13/86/20/186138620.db2.gz SMXFREOABDFRNP-UHFFFAOYSA-N 1 3 318.465 1.856 20 70 DDIDHO CCN1CCCN(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000159925708 408443980 /nfs/dbraw/zinc/44/39/80/408443980.db2.gz KTQHHVDHEXGWJR-QGZVFWFLSA-N 1 3 322.497 1.988 20 70 DDIDHO CCN1CCCN(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000159925708 408443981 /nfs/dbraw/zinc/44/39/81/408443981.db2.gz KTQHHVDHEXGWJR-QGZVFWFLSA-N 1 3 322.497 1.988 20 70 DDIDHO Cc1ncc([C@@H](C)NCCN2CCC([NH+](C)C)CC2)c(C)n1 ZINC000160200369 282163753 /nfs/dbraw/zinc/16/37/53/282163753.db2.gz LYUYIBGJYQTRJZ-CYBMUJFWSA-N 1 3 305.470 1.770 20 70 DDIDHO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000161012048 408549947 /nfs/dbraw/zinc/54/99/47/408549947.db2.gz PDGYGIHKCZXBNB-CVEARBPZSA-N 1 3 310.486 1.842 20 70 DDIDHO CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000161012048 408549953 /nfs/dbraw/zinc/54/99/53/408549953.db2.gz PDGYGIHKCZXBNB-CVEARBPZSA-N 1 3 310.486 1.842 20 70 DDIDHO CC(C)N(CCN(C)C)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000159532985 279429956 /nfs/dbraw/zinc/42/99/56/279429956.db2.gz JEMIXNLCNAXMQG-AWEZNQCLSA-N 1 3 300.491 1.944 20 70 DDIDHO CC(C)[NH2+]C1CCN(C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160773058 354240740 /nfs/dbraw/zinc/24/07/40/354240740.db2.gz PHEVTVFWTVSQQF-INIZCTEOSA-N 1 3 308.470 1.643 20 70 DDIDHO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCCN(CC)CC1 ZINC000159884997 408441599 /nfs/dbraw/zinc/44/15/99/408441599.db2.gz NRRZCAJTNKUPBA-INIZCTEOSA-N 1 3 310.486 1.988 20 70 DDIDHO CC[C@H]1CCCC[N@H+]1CCNC(=O)N1CCCN(CC)CC1 ZINC000159884997 408441603 /nfs/dbraw/zinc/44/16/03/408441603.db2.gz NRRZCAJTNKUPBA-INIZCTEOSA-N 1 3 310.486 1.988 20 70 DDIDHO CN1CCC[C@@H]1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160977874 408546813 /nfs/dbraw/zinc/54/68/13/408546813.db2.gz IEBMZHCZAVIWJF-MRXNPFEDSA-N 1 3 310.486 1.844 20 70 DDIDHO COc1ccc(CNC(=O)C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)cc1 ZINC000160980427 408547875 /nfs/dbraw/zinc/54/78/75/408547875.db2.gz NPJDTTCJCZPDDL-JKIFEVAISA-N 1 3 319.449 1.630 20 70 DDIDHO [NH3+][C@@H]1CCC[C@H](NC(=O)CC2(N3CCOCC3)CCCC2)C1 ZINC000160981306 484071276 /nfs/dbraw/zinc/07/12/76/484071276.db2.gz YWOUIECXCCWJOW-CABCVRRESA-N 1 3 309.454 1.408 20 70 DDIDHO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NC1CCN(C2CC2)CC1 ZINC000160556162 354239070 /nfs/dbraw/zinc/23/90/70/354239070.db2.gz DFCRXJXLTZCHSM-YOEHRIQHSA-N 1 3 305.466 1.994 20 70 DDIDHO O=C(C[N@H+]1CC[C@@H]2CCCC[C@@H]21)NC1CCN(C2CC2)CC1 ZINC000160556162 354239073 /nfs/dbraw/zinc/23/90/73/354239073.db2.gz DFCRXJXLTZCHSM-YOEHRIQHSA-N 1 3 305.466 1.994 20 70 DDIDHO COc1ccc(CNC(=O)C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)cc1 ZINC000160980303 408546938 /nfs/dbraw/zinc/54/69/38/408546938.db2.gz NPJDTTCJCZPDDL-CKEIUWERSA-N 1 3 319.449 1.630 20 70 DDIDHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160694422 354240281 /nfs/dbraw/zinc/24/02/81/354240281.db2.gz ANDKZZBTFSUMBY-MRXNPFEDSA-N 1 3 310.486 1.700 20 70 DDIDHO CC(C)CN(CCN(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1 ZINC000160694422 354240284 /nfs/dbraw/zinc/24/02/84/354240284.db2.gz ANDKZZBTFSUMBY-MRXNPFEDSA-N 1 3 310.486 1.700 20 70 DDIDHO C[C@H]1CCO[C@@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000159609191 408419043 /nfs/dbraw/zinc/41/90/43/408419043.db2.gz GMQCPZAJJRLWLH-BBRMVZONSA-N 1 3 309.454 1.086 20 70 DDIDHO CCN1CCCN(C(=O)NCc2ccc(C[NH+](C)C)cc2)CC1 ZINC000159553827 408417587 /nfs/dbraw/zinc/41/75/87/408417587.db2.gz QJIXOZWWZVFMDJ-UHFFFAOYSA-N 1 3 318.465 1.985 20 70 DDIDHO NC1(C(=O)NCC[NH2+]C2CCCCCC2)Cc2ccccc2C1 ZINC000159642801 408421898 /nfs/dbraw/zinc/42/18/98/408421898.db2.gz HYSGTAXDKHMSSM-UHFFFAOYSA-N 1 3 315.461 1.911 20 70 DDIDHO CC(C)N1CCN(c2ccc(C(=O)NCCC[NH3+])cc2)CC1 ZINC000160172343 197390736 /nfs/dbraw/zinc/39/07/36/197390736.db2.gz QHRUTOWHXCTPEN-UHFFFAOYSA-N 1 3 304.438 1.296 20 70 DDIDHO CCC[NH+]1CCC(N(C)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000160775597 354240945 /nfs/dbraw/zinc/24/09/45/354240945.db2.gz CBXUKBWKTACCTD-INIZCTEOSA-N 1 3 322.497 1.987 20 70 DDIDHO OCCn1nccc1C1CC[NH+](CCCN2CCCCC2)CC1 ZINC000161312689 408586891 /nfs/dbraw/zinc/58/68/91/408586891.db2.gz BFLJIHIIJOXGRL-UHFFFAOYSA-N 1 3 320.481 1.931 20 70 DDIDHO C[C@H]1CCO[C@H]1C(=O)NC1CCN(C2CC[NH+](C)CC2)CC1 ZINC000159609449 408419756 /nfs/dbraw/zinc/41/97/56/408419756.db2.gz GMQCPZAJJRLWLH-XJKSGUPXSA-N 1 3 309.454 1.086 20 70 DDIDHO COC(=O)CC[N@H+](CCCN1CCCCC1)C[C@H]1CCCO1 ZINC000161123811 408561358 /nfs/dbraw/zinc/56/13/58/408561358.db2.gz SQKPBQURMMZQME-MRXNPFEDSA-N 1 3 312.454 1.907 20 70 DDIDHO COC(=O)CC[N@@H+](CCCN1CCCCC1)C[C@H]1CCCO1 ZINC000161123811 408561364 /nfs/dbraw/zinc/56/13/64/408561364.db2.gz SQKPBQURMMZQME-MRXNPFEDSA-N 1 3 312.454 1.907 20 70 DDIDHO C[C@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CCOC1 ZINC000161220696 408574897 /nfs/dbraw/zinc/57/48/97/408574897.db2.gz JYSKHROWCAKPRP-YOEHRIQHSA-N 1 3 319.449 1.493 20 70 DDIDHO CC[N@H+](C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159589445 284336245 /nfs/dbraw/zinc/33/62/45/284336245.db2.gz FQTPCNZSQOPMSR-RDJZCZTQSA-N 1 3 318.465 1.758 20 70 DDIDHO CC[N@@H+](C)CCNC(=O)N[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159589445 284336248 /nfs/dbraw/zinc/33/62/48/284336248.db2.gz FQTPCNZSQOPMSR-RDJZCZTQSA-N 1 3 318.465 1.758 20 70 DDIDHO O=C(N[C@@H]1CCN(CC2CC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160675981 354240148 /nfs/dbraw/zinc/24/01/48/354240148.db2.gz AXKCJJONYQSBOB-HZPDHXFCSA-N 1 3 306.454 1.350 20 70 DDIDHO COC[C@@H]([NH2+]CC(=O)NC[C@H](c1ccccc1)N(C)C)C1CC1 ZINC000160627095 408506081 /nfs/dbraw/zinc/50/60/81/408506081.db2.gz SWZYRMNUMIYVMR-IAGOWNOFSA-N 1 3 319.449 1.420 20 70 DDIDHO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000161012180 408549417 /nfs/dbraw/zinc/54/94/17/408549417.db2.gz PDGYGIHKCZXBNB-HOTGVXAUSA-N 1 3 310.486 1.842 20 70 DDIDHO CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)N1CC[C@H](N(C)C)C1 ZINC000161012180 408549422 /nfs/dbraw/zinc/54/94/22/408549422.db2.gz PDGYGIHKCZXBNB-HOTGVXAUSA-N 1 3 310.486 1.842 20 70 DDIDHO C[C@@H]([NH2+]Cc1cccc(C(=O)NCCN(C)C)c1)[C@H]1CCOC1 ZINC000161220816 408575028 /nfs/dbraw/zinc/57/50/28/408575028.db2.gz JYSKHROWCAKPRP-PBHICJAKSA-N 1 3 319.449 1.493 20 70 DDIDHO O=C(N[C@H]1CCN(CC2CC2)C1)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000160676251 354240021 /nfs/dbraw/zinc/24/00/21/354240021.db2.gz AXKCJJONYQSBOB-JKSUJKDBSA-N 1 3 306.454 1.350 20 70 DDIDHO COCCC1(C(=O)NC2CCN(C3CC[NH+](C)CC3)CC2)CC1 ZINC000161137393 408563866 /nfs/dbraw/zinc/56/38/66/408563866.db2.gz SNQJUQWTYXKKAT-UHFFFAOYSA-N 1 3 323.481 1.478 20 70 DDIDHO CN(C[C@H]1CCCN(C)C1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160854610 408531047 /nfs/dbraw/zinc/53/10/47/408531047.db2.gz AKZGVRXVNSCCTB-JKSUJKDBSA-N 1 3 322.497 1.987 20 70 DDIDHO CN(C[C@H]1CCCN(C)C1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160854610 408531054 /nfs/dbraw/zinc/53/10/54/408531054.db2.gz AKZGVRXVNSCCTB-JKSUJKDBSA-N 1 3 322.497 1.987 20 70 DDIDHO CN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160827087 408527896 /nfs/dbraw/zinc/52/78/96/408527896.db2.gz HOWMVHWBORJIEO-OAHLLOKOSA-N 1 3 308.470 1.741 20 70 DDIDHO CN(CCN1CCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000160827087 408527899 /nfs/dbraw/zinc/52/78/99/408527899.db2.gz HOWMVHWBORJIEO-OAHLLOKOSA-N 1 3 308.470 1.741 20 70 DDIDHO O=C(NC[C@@H]1CCCN(Cc2ccsc2)C1)[C@@H]1CCC[NH2+]1 ZINC000217031805 163330761 /nfs/dbraw/zinc/33/07/61/163330761.db2.gz KIRMKRLLZWGKHR-ZFWWWQNUSA-N 1 3 307.463 1.828 20 70 DDIDHO CCC(CC)(C[NH3+])C(=O)NCCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000161272856 290782771 /nfs/dbraw/zinc/78/27/71/290782771.db2.gz DWQYEIMCXIDCCZ-GJZGRUSLSA-N 1 3 313.486 1.757 20 70 DDIDHO C[C@H]1CN(CC2CC[NH+](CCn3ccnc3)CC2)C[C@H](C)O1 ZINC000159794481 408436528 /nfs/dbraw/zinc/43/65/28/408436528.db2.gz QWTRYYQPOTUURT-HOTGVXAUSA-N 1 3 306.454 1.704 20 70 DDIDHO CN(C)Cc1cccc(C(=O)NC[C@H](O)C[NH+]2CCCCC2)c1 ZINC000160388380 408478581 /nfs/dbraw/zinc/47/85/81/408478581.db2.gz YJQYPDWNRNGKOS-KRWDZBQOSA-N 1 3 319.449 1.325 20 70 DDIDHO CC[N@H+](C)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159589287 186129151 /nfs/dbraw/zinc/12/91/51/186129151.db2.gz FQTPCNZSQOPMSR-DOTOQJQBSA-N 1 3 318.465 1.758 20 70 DDIDHO CC[N@@H+](C)CCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000159589287 186129153 /nfs/dbraw/zinc/12/91/53/186129153.db2.gz FQTPCNZSQOPMSR-DOTOQJQBSA-N 1 3 318.465 1.758 20 70 DDIDHO COC[C@H]([NH2+]CC(=O)NC[C@@H](c1ccccc1)N(C)C)C1CC1 ZINC000160626716 408504557 /nfs/dbraw/zinc/50/45/57/408504557.db2.gz SWZYRMNUMIYVMR-IRXDYDNUSA-N 1 3 319.449 1.420 20 70 DDIDHO CN(C)CCN(C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)C1CCCC1 ZINC000160705367 408515278 /nfs/dbraw/zinc/51/52/78/408515278.db2.gz ADQZIVKOPGKBBT-HNNXBMFYSA-N 1 3 322.497 1.987 20 70 DDIDHO CN(C)CCN(C(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)C1CCCC1 ZINC000160705367 408515285 /nfs/dbraw/zinc/51/52/85/408515285.db2.gz ADQZIVKOPGKBBT-HNNXBMFYSA-N 1 3 322.497 1.987 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000159624085 408421616 /nfs/dbraw/zinc/42/16/16/408421616.db2.gz MGUAIBWNZCRRIA-JKSUJKDBSA-N 1 3 310.486 1.844 20 70 DDIDHO CCN1CCCN(C(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000159624085 408421621 /nfs/dbraw/zinc/42/16/21/408421621.db2.gz MGUAIBWNZCRRIA-JKSUJKDBSA-N 1 3 310.486 1.844 20 70 DDIDHO