smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@H]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000160246940 279760411 /nfs/dbraw/zinc/76/04/11/279760411.db2.gz WGRFKLCPKSWUQT-JXFKEZNVSA-N 2 0 315.505 3.241 20 70 DGIDRP COC[C@H](C)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000159735687 432694472 /nfs/dbraw/zinc/69/44/72/432694472.db2.gz QBPNANPHVRLQNP-SFHVURJKSA-N 2 0 318.505 3.346 20 70 DGIDRP OCC[C@@H]([NH2+][C@@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000160988960 432752145 /nfs/dbraw/zinc/75/21/45/432752145.db2.gz VLGRRBOLJKCHPZ-NHCUHLMSSA-N 2 0 324.468 3.364 20 70 DGIDRP C[C@H](C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@H]1C)COCc1ccccc1 ZINC000161298346 432771946 /nfs/dbraw/zinc/77/19/46/432771946.db2.gz VUFQKHVZLZYQLO-VXNCWWDNSA-N 2 0 304.478 3.158 20 70 DGIDRP Cc1cc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc(C)c1F ZINC000160765218 432741344 /nfs/dbraw/zinc/74/13/44/432741344.db2.gz ALAYCCISNUGJEZ-FUHWJXTLSA-N 2 0 322.468 3.330 20 70 DGIDRP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1C ZINC000161509251 279592807 /nfs/dbraw/zinc/59/28/07/279592807.db2.gz WZKNNSKFZQBPHO-SQWLQELKSA-N 2 0 324.509 3.253 20 70 DGIDRP C[C@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)COCc1ccccc1 ZINC000161298262 432771023 /nfs/dbraw/zinc/77/10/23/432771023.db2.gz VUFQKHVZLZYQLO-MTNOOBJLSA-N 2 0 304.478 3.158 20 70 DGIDRP CCC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000160662428 432733623 /nfs/dbraw/zinc/73/36/23/432733623.db2.gz IIDICVIIBSAZPW-RTBURBONSA-N 2 0 304.478 3.354 20 70 DGIDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C)cc1 ZINC000160674925 432735734 /nfs/dbraw/zinc/73/57/34/432735734.db2.gz OQGXQAJBJCHFHR-RTBURBONSA-N 2 0 304.478 3.273 20 70 DGIDRP CCC[NH+]1CCC([NH2+]C[C@@H](C)COCc2ccccc2)CC1 ZINC000161293556 546067286 /nfs/dbraw/zinc/06/72/86/546067286.db2.gz IKVVJVLFEBIQOY-QGZVFWFLSA-N 2 0 304.478 3.303 20 70 DGIDRP CC[C@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159738073 186138788 /nfs/dbraw/zinc/13/87/88/186138788.db2.gz OFXNBMNBBBTMPZ-KRWDZBQOSA-N 2 0 304.478 3.446 20 70 DGIDRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([S@@](C)=O)cc1 ZINC000159622798 296113401 /nfs/dbraw/zinc/11/34/01/296113401.db2.gz GPDRQYRUZUGWSX-DMZKTXOQSA-N 2 0 322.518 3.384 20 70 DGIDRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312124 197399823 /nfs/dbraw/zinc/39/98/23/197399823.db2.gz SSEBCCJGELLYDY-ZMSDIMECSA-N 2 0 308.441 3.303 20 70 DGIDRP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159625009 432690745 /nfs/dbraw/zinc/69/07/45/432690745.db2.gz GGWVDJBGURNGQP-HNNXBMFYSA-N 2 0 323.525 3.066 20 70 DGIDRP C[NH+](C)[C@H]1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000161007571 432754559 /nfs/dbraw/zinc/75/45/59/432754559.db2.gz FHEQIBTWHHOWLY-MJGOQNOKSA-N 2 0 307.526 3.246 20 70 DGIDRP CC[C@@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000161100196 432759712 /nfs/dbraw/zinc/75/97/12/432759712.db2.gz ZWQWIULLQJEMKM-QBUWPKIASA-N 2 0 302.462 3.197 20 70 DGIDRP c1ccc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000160648275 432733751 /nfs/dbraw/zinc/73/37/51/432733751.db2.gz XIVJFFWGMOQYHL-UHFFFAOYSA-N 2 0 301.478 3.075 20 70 DGIDRP CCc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000160674626 432735022 /nfs/dbraw/zinc/73/50/22/432735022.db2.gz LTCQVCOIJVLDHG-QFBILLFUSA-N 2 0 304.478 3.137 20 70 DGIDRP C[C@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000160731882 432739286 /nfs/dbraw/zinc/73/92/86/432739286.db2.gz CSZLTQOECSDVLO-QKLQHJQFSA-N 2 0 316.489 3.452 20 70 DGIDRP CC[C@@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312249 197399944 /nfs/dbraw/zinc/39/99/44/197399944.db2.gz SSEBCCJGELLYDY-ZOBUZTSGSA-N 2 0 308.441 3.303 20 70 DGIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161158664 432763740 /nfs/dbraw/zinc/76/37/40/432763740.db2.gz AMCALJDKFJBCKM-WFASDCNBSA-N 2 0 316.367 3.058 20 70 DGIDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(C)cc1 ZINC000160674789 432735831 /nfs/dbraw/zinc/73/58/31/432735831.db2.gz OQGXQAJBJCHFHR-MOPGFXCFSA-N 2 0 304.478 3.273 20 70 DGIDRP CC[C@@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000161025363 546064681 /nfs/dbraw/zinc/06/46/81/546064681.db2.gz KKQDZKSKRJCPGU-DLBZAZTESA-N 3 0 309.542 3.207 20 70 DGIDRP Cc1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000161261468 197478967 /nfs/dbraw/zinc/47/89/67/197478967.db2.gz LNAADJKVBYNQKT-MRXNPFEDSA-N 2 0 313.445 3.181 20 70 DGIDRP C[C@@H]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000160247061 197395091 /nfs/dbraw/zinc/39/50/91/197395091.db2.gz WGRFKLCPKSWUQT-OXQOHEQNSA-N 2 0 315.505 3.241 20 70 DGIDRP C[C@H]([NH2+][C@H]1CCCSC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000159524163 197361078 /nfs/dbraw/zinc/36/10/78/197361078.db2.gz CCGXCPWRIBWCME-HOCLYGCPSA-N 2 0 308.491 3.173 20 70 DGIDRP C[C@@H]([NH2+][C@H]1CCCSC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000159524290 197361093 /nfs/dbraw/zinc/36/10/93/197361093.db2.gz CCGXCPWRIBWCME-ZBFHGGJFSA-N 2 0 308.491 3.173 20 70 DGIDRP CC[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161045754 280194292 /nfs/dbraw/zinc/19/42/92/280194292.db2.gz GMKVPLLSKWQZST-IXDOHACOSA-N 2 0 318.461 3.371 20 70 DGIDRP CC(C)C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccs1 ZINC000160240591 432712018 /nfs/dbraw/zinc/71/20/18/432712018.db2.gz UEDCOIGFMIJODR-QGZVFWFLSA-N 2 0 323.550 3.451 20 70 DGIDRP c1ccc(COC[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161279006 432769257 /nfs/dbraw/zinc/76/92/57/432769257.db2.gz JWMSLIYLGMZTFQ-HXUWFJFHSA-N 2 0 316.489 3.401 20 70 DGIDRP c1ccc2c(c1)CC[C@@]21CN(CCC[NH+]2CCCCC2)CCO1 ZINC000161452649 432780381 /nfs/dbraw/zinc/78/03/81/432780381.db2.gz MJNXIMAVMUHZKO-HXUWFJFHSA-N 2 0 314.473 3.036 20 70 DGIDRP CC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000160742007 432738480 /nfs/dbraw/zinc/73/84/80/432738480.db2.gz LDZUPKYTHORDKE-MSOLQXFVSA-N 2 0 308.441 3.103 20 70 DGIDRP CC[C@@H](C)[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000159737898 186138656 /nfs/dbraw/zinc/13/86/56/186138656.db2.gz OFXNBMNBBBTMPZ-QGZVFWFLSA-N 2 0 304.478 3.446 20 70 DGIDRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([S@](C)=O)cc1 ZINC000159622391 299267905 /nfs/dbraw/zinc/26/79/05/299267905.db2.gz GPDRQYRUZUGWSX-WHEQGISXSA-N 2 0 322.518 3.384 20 70 DGIDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C)cc1 ZINC000160168338 197390700 /nfs/dbraw/zinc/39/07/00/197390700.db2.gz OSCVQMNIYLKCQH-IBGZPJMESA-N 2 0 303.494 3.062 20 70 DGIDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCCCc2ccccc21 ZINC000160738932 285290977 /nfs/dbraw/zinc/29/09/77/285290977.db2.gz RESCCIOZWHXAAE-QUCCMNQESA-N 2 0 316.489 3.281 20 70 DGIDRP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161044355 432756371 /nfs/dbraw/zinc/75/63/71/432756371.db2.gz XDOYBIPKISBJDQ-SZMVWBNQSA-N 2 0 320.477 3.235 20 70 DGIDRP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000161082131 432758626 /nfs/dbraw/zinc/75/86/26/432758626.db2.gz ZDKADYLKNHTORQ-MJGOQNOKSA-N 2 0 301.478 3.118 20 70 DGIDRP CC1CC[NH+](C[C@@H]2CCCN(CCC[NH+]3CCCCC3)C2)CC1 ZINC000160750640 432739261 /nfs/dbraw/zinc/73/92/61/432739261.db2.gz VYOSVUVEOWZPLF-HXUWFJFHSA-N 2 0 321.553 3.306 20 70 DGIDRP Cc1cccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1C ZINC000160680085 197431204 /nfs/dbraw/zinc/43/12/04/197431204.db2.gz ZKLAUURCPLIXAX-QZTJIDSGSA-N 2 0 304.478 3.191 20 70 DGIDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000160281043 197397942 /nfs/dbraw/zinc/39/79/42/197397942.db2.gz KTYSOAQXZCMKCR-GOSISDBHSA-N 2 0 323.912 3.407 20 70 DGIDRP C[C@H]1CC[C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000160247184 432711911 /nfs/dbraw/zinc/71/19/11/432711911.db2.gz WGRFKLCPKSWUQT-OXJNMPFZSA-N 2 0 315.505 3.241 20 70 DGIDRP C[NH+](C)[C@@H]1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000161007181 432754535 /nfs/dbraw/zinc/75/45/35/432754535.db2.gz FHEQIBTWHHOWLY-PKOBYXMFSA-N 2 0 307.526 3.246 20 70 DGIDRP CC[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161046012 432756080 /nfs/dbraw/zinc/75/60/80/432756080.db2.gz GMKVPLLSKWQZST-YESZJQIVSA-N 2 0 318.461 3.371 20 70 DGIDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061234 432758487 /nfs/dbraw/zinc/75/84/87/432758487.db2.gz HUCZCFKYDKOYAI-UAGQMJEPSA-N 2 0 318.461 3.371 20 70 DGIDRP CC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000161160079 432763880 /nfs/dbraw/zinc/76/38/80/432763880.db2.gz MOINAWHWOQLIQO-IBGZPJMESA-N 2 0 307.526 3.248 20 70 DGIDRP C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1cccs1 ZINC000160593833 432729927 /nfs/dbraw/zinc/72/99/27/432729927.db2.gz KPWPIXMIMGVYAT-HNNXBMFYSA-N 2 0 316.470 3.431 20 70 DGIDRP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCOCC2CC2)CC1 ZINC000160363125 523342415 /nfs/dbraw/zinc/34/24/15/523342415.db2.gz QINOGYGBBPNERU-UHFFFAOYSA-N 2 0 316.489 3.257 20 70 DGIDRP C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)COCc1ccccc1 ZINC000161313206 546066935 /nfs/dbraw/zinc/06/69/35/546066935.db2.gz HTLZUTPQZKAGRP-IRXDYDNUSA-N 2 0 304.478 3.159 20 70 DGIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc2ccccc2o1 ZINC000160281758 197397682 /nfs/dbraw/zinc/39/76/82/197397682.db2.gz GAUYSHFBSPIOIW-HNNXBMFYSA-N 2 0 315.461 3.109 20 70 DGIDRP CC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Cl)cc1 ZINC000160280916 197397820 /nfs/dbraw/zinc/39/78/20/197397820.db2.gz KTYSOAQXZCMKCR-SFHVURJKSA-N 2 0 323.912 3.407 20 70 DGIDRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000160233240 432712424 /nfs/dbraw/zinc/71/24/24/432712424.db2.gz ONJOKGFLHDBFTL-LJQANCHMSA-N 2 0 309.542 3.351 20 70 DGIDRP CC[C@H](C[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312366 432714054 /nfs/dbraw/zinc/71/40/54/432714054.db2.gz SSEBCCJGELLYDY-UXLLHSPISA-N 2 0 308.441 3.303 20 70 DGIDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061453 432758515 /nfs/dbraw/zinc/75/85/15/432758515.db2.gz HUCZCFKYDKOYAI-XIRDDKMYSA-N 2 0 318.461 3.371 20 70 DGIDRP C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)COCc1ccccc1 ZINC000161298473 432772089 /nfs/dbraw/zinc/77/20/89/432772089.db2.gz VUFQKHVZLZYQLO-YWTNHNAXSA-N 2 0 304.478 3.158 20 70 DGIDRP C(CN1CCC[C@@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCCC1 ZINC000161328410 432772774 /nfs/dbraw/zinc/77/27/74/432772774.db2.gz CHFDIOLTEZNGNF-FQEVSTJZSA-N 3 0 321.553 3.450 20 70 DGIDRP CC(C)c1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160152731 292809017 /nfs/dbraw/zinc/80/90/17/292809017.db2.gz TXQZDFCKGNZTAG-QGZVFWFLSA-N 2 0 317.521 3.487 20 70 DGIDRP CC(C)CN1CCO[C@H](C[NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000216753489 337226588 /nfs/dbraw/zinc/22/65/88/337226588.db2.gz NIJRPMYYINXSDF-RTBURBONSA-N 2 0 304.478 3.330 20 70 DGIDRP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000160225212 197394352 /nfs/dbraw/zinc/39/43/52/197394352.db2.gz NSYKKFABULYLDS-AWEZNQCLSA-N 2 0 309.885 3.017 20 70 DGIDRP COCc1cc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000161097367 432760255 /nfs/dbraw/zinc/76/02/55/432760255.db2.gz CJRLHLKDKGGLAY-JLSDUUJJSA-N 2 0 320.477 3.365 20 70 DGIDRP CCCC[N@H+](C)CC1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000161288720 432771361 /nfs/dbraw/zinc/77/13/61/432771361.db2.gz QVVPJVQGQYNZAN-UHFFFAOYSA-N 3 0 309.542 3.306 20 70 DGIDRP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)(C)c1ccccc1 ZINC000160670293 432733603 /nfs/dbraw/zinc/73/36/03/432733603.db2.gz KQHMMTKOCAZZJH-IEBWSBKVSA-N 2 0 318.505 3.179 20 70 DGIDRP CCc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000160674499 432736315 /nfs/dbraw/zinc/73/63/15/432736315.db2.gz LTCQVCOIJVLDHG-VQIMIIECSA-N 2 0 304.478 3.137 20 70 DGIDRP C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)COCc1ccccc1 ZINC000161313332 546067509 /nfs/dbraw/zinc/06/75/09/546067509.db2.gz HTLZUTPQZKAGRP-SJORKVTESA-N 2 0 304.478 3.159 20 70 DGIDRP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161044464 432755712 /nfs/dbraw/zinc/75/57/12/432755712.db2.gz XDOYBIPKISBJDQ-NJAFHUGGSA-N 2 0 320.477 3.235 20 70 DGIDRP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000161394332 432776938 /nfs/dbraw/zinc/77/69/38/432776938.db2.gz NYWIWKUFRRBUJD-GOSISDBHSA-N 2 0 302.462 3.152 20 70 DGIDRP Fc1ccc(CN2CCN(c3cc[nH+]cc3)CC2)c(Cl)c1 ZINC000161322617 546067903 /nfs/dbraw/zinc/06/79/03/546067903.db2.gz JQCYIOCCLNKNNK-UHFFFAOYSA-N 2 0 305.784 3.196 20 70 DGIDRP Cc1cc(C)c([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1C ZINC000160284990 197397287 /nfs/dbraw/zinc/39/72/87/197397287.db2.gz OJWIBMZWTHMRFX-GOSISDBHSA-N 2 0 317.521 3.288 20 70 DGIDRP C[NH+](C)[C@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000161081884 273816923 /nfs/dbraw/zinc/81/69/23/273816923.db2.gz ZDKADYLKNHTORQ-HKUYNNGSSA-N 2 0 301.478 3.118 20 70 DGIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000160509030 432724874 /nfs/dbraw/zinc/72/48/74/432724874.db2.gz ZDRXZBAUIWDMLM-DOMZBBRYSA-N 2 0 316.367 3.014 20 70 DGIDRP CC[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161045620 432756892 /nfs/dbraw/zinc/75/68/92/432756892.db2.gz GMKVPLLSKWQZST-IKGGRYGDSA-N 2 0 318.461 3.371 20 70 DGIDRP CCCCOc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000161390491 432775987 /nfs/dbraw/zinc/77/59/87/432775987.db2.gz AAAZDLFEUZXXDP-LPHOPBHVSA-N 2 0 304.478 3.338 20 70 DGIDRP C[C@H]1C[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000160587919 432730073 /nfs/dbraw/zinc/73/00/73/432730073.db2.gz JCTHGVQGIRJOFQ-UONOGXRCSA-N 2 0 307.507 3.027 20 70 DGIDRP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160604732 432730295 /nfs/dbraw/zinc/73/02/95/432730295.db2.gz XPXMJBQRKXZACV-FMKPAKJESA-N 2 0 321.534 3.273 20 70 DGIDRP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1cccs1 ZINC000160593958 432730389 /nfs/dbraw/zinc/73/03/89/432730389.db2.gz KPWPIXMIMGVYAT-OAHLLOKOSA-N 2 0 316.470 3.431 20 70 DGIDRP Cc1cc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1C ZINC000160758012 432738829 /nfs/dbraw/zinc/73/88/29/432738829.db2.gz VKKZERZGHLOOCA-RTBURBONSA-N 2 0 318.505 3.499 20 70 DGIDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCCCc2ccccc21 ZINC000160739055 432739409 /nfs/dbraw/zinc/73/94/09/432739409.db2.gz RESCCIOZWHXAAE-UYAOXDASSA-N 2 0 316.489 3.281 20 70 DGIDRP C(CN1CC[NH+](CC2CCCCC2)CC1)C[NH+]1CCCCC1 ZINC000160716768 527480650 /nfs/dbraw/zinc/48/06/50/527480650.db2.gz WIZYQZHGKYHZHP-UHFFFAOYSA-N 2 0 307.526 3.060 20 70 DGIDRP CC[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Oc1ccccc1F ZINC000160339423 546060268 /nfs/dbraw/zinc/06/02/68/546060268.db2.gz UJUAWFRRVNFUHT-GDBMZVCRSA-N 2 0 308.441 3.303 20 70 DGIDRP CSc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160246138 197395267 /nfs/dbraw/zinc/39/52/67/197395267.db2.gz GOZANPLZMRUPHT-OAHLLOKOSA-N 2 0 321.534 3.085 20 70 DGIDRP CC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(C)cc1 ZINC000160168459 197390873 /nfs/dbraw/zinc/39/08/73/197390873.db2.gz OSCVQMNIYLKCQH-LJQANCHMSA-N 2 0 303.494 3.062 20 70 DGIDRP CCC[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000160150835 197389526 /nfs/dbraw/zinc/38/95/26/197389526.db2.gz OILLXVUTSJSTOL-LJQANCHMSA-N 2 0 303.494 3.143 20 70 DGIDRP Cc1nc2ccccn2c1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000159668381 432691503 /nfs/dbraw/zinc/69/15/03/432691503.db2.gz CVFPSZTXFJUARR-KRWDZBQOSA-N 2 0 312.461 3.093 20 70 DGIDRP CCCCOc1ccc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000161384565 432776029 /nfs/dbraw/zinc/77/60/29/432776029.db2.gz YMYYQUVJGCLRRN-AEFFLSMTSA-N 2 0 304.478 3.480 20 70 DGIDRP CCC[NH+]1CCC([NH2+]CCCc2nc3c(s2)CCCC3)CC1 ZINC000160585319 546061013 /nfs/dbraw/zinc/06/10/13/546061013.db2.gz REOGWWSEGJTLIF-UHFFFAOYSA-N 2 0 321.534 3.419 20 70 DGIDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2cc(Cl)ccc21 ZINC000160745000 285290951 /nfs/dbraw/zinc/29/09/51/285290951.db2.gz KSXBQANKALVIMM-AEFFLSMTSA-N 2 0 322.880 3.154 20 70 DGIDRP COc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000161113716 432759507 /nfs/dbraw/zinc/75/95/07/432759507.db2.gz LVABHGHAQYLMMX-BMFZPTHFSA-N 2 0 306.450 3.227 20 70 DGIDRP CCCCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000161390373 432775861 /nfs/dbraw/zinc/77/58/61/432775861.db2.gz AAAZDLFEUZXXDP-QFBILLFUSA-N 2 0 304.478 3.338 20 70 DGIDRP COc1cccc(CCCN2CCC([NH+]3CCCC3)CC2)c1 ZINC000160591881 432731190 /nfs/dbraw/zinc/73/11/90/432731190.db2.gz WBPMZHGYLGMGAZ-UHFFFAOYSA-N 2 0 302.462 3.188 20 70 DGIDRP C[C@@H]([NH2+]CCCc1nc2c(s1)CCCC2)C1CC[NH+](C)CC1 ZINC000160633597 546061751 /nfs/dbraw/zinc/06/17/51/546061751.db2.gz HIISXSQZWDZOPS-CQSZACIVSA-N 2 0 321.534 3.274 20 70 DGIDRP C[C@@H]([NH2+][C@H]1CCCSC1)c1cccc(OCC[NH+](C)C)c1 ZINC000159557461 186126881 /nfs/dbraw/zinc/12/68/81/186126881.db2.gz DVMPOTXTNWGCPN-ZBFHGGJFSA-N 2 0 308.491 3.173 20 70 DGIDRP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000159625095 432690459 /nfs/dbraw/zinc/69/04/59/432690459.db2.gz GGWVDJBGURNGQP-OAHLLOKOSA-N 2 0 323.525 3.066 20 70 DGIDRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2CC[NH+](CC)C[C@@H]2C)C1 ZINC000161015557 432754761 /nfs/dbraw/zinc/75/47/61/432754761.db2.gz VOHSATNYOCYSKA-RCCFBDPRSA-N 2 0 309.542 3.207 20 70 DGIDRP CCc1ccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000160759523 432738273 /nfs/dbraw/zinc/73/82/73/432738273.db2.gz LEEABUZFPBNTOC-LSDHHAIUSA-N 2 0 310.507 3.198 20 70 DGIDRP C[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000160731759 432739168 /nfs/dbraw/zinc/73/91/68/432739168.db2.gz CSZLTQOECSDVLO-HLIPFELVSA-N 2 0 316.489 3.452 20 70 DGIDRP C[C@H]([NH2+][C@H]1CCCSC1)c1cccc(OCC[NH+](C)C)c1 ZINC000159557316 186127073 /nfs/dbraw/zinc/12/70/73/186127073.db2.gz DVMPOTXTNWGCPN-HOCLYGCPSA-N 2 0 308.491 3.173 20 70 DGIDRP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161359145 278332966 /nfs/dbraw/zinc/33/29/66/278332966.db2.gz HELOVJHAEVVQEH-VQTJNVASSA-N 2 0 321.553 3.449 20 70 DGIDRP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161044081 432756533 /nfs/dbraw/zinc/75/65/33/432756533.db2.gz XDOYBIPKISBJDQ-JQHSSLGASA-N 2 0 320.477 3.235 20 70 DGIDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000161081987 432758301 /nfs/dbraw/zinc/75/83/01/432758301.db2.gz ZDKADYLKNHTORQ-IEBWSBKVSA-N 2 0 301.478 3.118 20 70 DGIDRP CC[C@H](COC)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000161100302 432759788 /nfs/dbraw/zinc/75/97/88/432759788.db2.gz ZWQWIULLQJEMKM-MVCQKVDPSA-N 2 0 302.462 3.197 20 70 DGIDRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cnccn1 ZINC000160755898 432739423 /nfs/dbraw/zinc/73/94/23/432739423.db2.gz GFSQPEKILLVUBJ-RYRKJORJSA-N 2 0 310.445 3.038 20 70 DGIDRP CSc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160246022 197395066 /nfs/dbraw/zinc/39/50/66/197395066.db2.gz GOZANPLZMRUPHT-HNNXBMFYSA-N 2 0 321.534 3.085 20 70 DGIDRP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000161113902 286356171 /nfs/dbraw/zinc/35/61/71/286356171.db2.gz LVABHGHAQYLMMX-KBMXLJTQSA-N 2 0 306.450 3.227 20 70 DGIDRP CC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)Oc1ccccc1F ZINC000160315399 432714543 /nfs/dbraw/zinc/71/45/43/432714543.db2.gz INFQBLMJCTWPNE-LJIGWXMPSA-N 2 0 308.441 3.301 20 70 DGIDRP CCn1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000160890269 432747801 /nfs/dbraw/zinc/74/78/01/432747801.db2.gz CWBFSHGBUHKWAK-AWEZNQCLSA-N 2 0 314.477 3.432 20 70 DGIDRP Cc1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cn1 ZINC000161261339 432769709 /nfs/dbraw/zinc/76/97/09/432769709.db2.gz LNAADJKVBYNQKT-INIZCTEOSA-N 2 0 313.445 3.181 20 70 DGIDRP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnccn1 ZINC000160756024 432739149 /nfs/dbraw/zinc/73/91/49/432739149.db2.gz GFSQPEKILLVUBJ-BQFCYCMXSA-N 2 0 310.445 3.038 20 70 DGIDRP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000160297538 292812299 /nfs/dbraw/zinc/81/22/99/292812299.db2.gz PZKCVVPEGPRKMW-BHIYHBOVSA-N 2 0 309.542 3.063 20 70 DGIDRP CCCC(=O)Nc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000159941198 546057622 /nfs/dbraw/zinc/05/76/22/546057622.db2.gz YBAGJYASYGOXCI-OAHLLOKOSA-N 2 0 317.477 3.245 20 70 DGIDRP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000160255466 197395919 /nfs/dbraw/zinc/39/59/19/197395919.db2.gz WFFVZXUMNCJQQQ-HXUWFJFHSA-N 2 0 315.505 3.070 20 70 DGIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccc(Cl)c1 ZINC000160225363 197394306 /nfs/dbraw/zinc/39/43/06/197394306.db2.gz NSYKKFABULYLDS-CQSZACIVSA-N 2 0 309.885 3.017 20 70 DGIDRP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cc2ccccc2o1 ZINC000160281886 278346809 /nfs/dbraw/zinc/34/68/09/278346809.db2.gz GAUYSHFBSPIOIW-OAHLLOKOSA-N 2 0 315.461 3.109 20 70 DGIDRP COC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000161110980 432759625 /nfs/dbraw/zinc/75/96/25/432759625.db2.gz ACTMKCZWHOEHRL-NXEWRWPSSA-N 2 0 314.473 3.197 20 70 DGIDRP CC[C@@H](C)[N@H+](C)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000160080809 197384368 /nfs/dbraw/zinc/38/43/68/197384368.db2.gz IYOYFRQMDLBMBY-GOSISDBHSA-N 2 0 317.521 3.013 20 70 DGIDRP CCCc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160208520 432710923 /nfs/dbraw/zinc/71/09/23/432710923.db2.gz OZAXZALSWFOHJE-KRWDZBQOSA-N 2 0 317.521 3.316 20 70 DGIDRP C[NH+](C)[C@H]1CCC[C@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000161007337 432754924 /nfs/dbraw/zinc/75/49/24/432754924.db2.gz FHEQIBTWHHOWLY-HKUYNNGSSA-N 2 0 307.526 3.246 20 70 DGIDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000161081758 432757924 /nfs/dbraw/zinc/75/79/24/432757924.db2.gz ZDKADYLKNHTORQ-PKOBYXMFSA-N 2 0 301.478 3.118 20 70 DGIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160605120 432730607 /nfs/dbraw/zinc/73/06/07/432730607.db2.gz XPXMJBQRKXZACV-IJEWVQPXSA-N 2 0 321.534 3.273 20 70 DGIDRP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000160393349 432718239 /nfs/dbraw/zinc/71/82/39/432718239.db2.gz KTRGBCFNOBTKEE-UHFFFAOYSA-N 2 0 314.477 3.278 20 70 DGIDRP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC000161044209 432756170 /nfs/dbraw/zinc/75/61/70/432756170.db2.gz XDOYBIPKISBJDQ-NXHRZFHOSA-N 2 0 320.477 3.235 20 70 DGIDRP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000161093659 432760105 /nfs/dbraw/zinc/76/01/05/432760105.db2.gz HLJYAVGRNYXAST-WDYCEAGBSA-N 2 0 312.461 3.396 20 70 DGIDRP CCCCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000161384438 432776348 /nfs/dbraw/zinc/77/63/48/432776348.db2.gz YMYYQUVJGCLRRN-SJLPKXTDSA-N 2 0 304.478 3.480 20 70 DGIDRP C[C@@H]1C[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000160587791 432730675 /nfs/dbraw/zinc/73/06/75/432730675.db2.gz JCTHGVQGIRJOFQ-ZIAGYGMSSA-N 2 0 307.507 3.027 20 70 DGIDRP COc1ccc([C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000160775084 432741178 /nfs/dbraw/zinc/74/11/78/432741178.db2.gz MLMPKYYJDWYVKN-GOSISDBHSA-N 2 0 302.462 3.361 20 70 DGIDRP CC(C)CN1CCO[C@@H](C[NH2+][C@@H](c2ccccc2)C(C)C)C1 ZINC000216753435 337226637 /nfs/dbraw/zinc/22/66/37/337226637.db2.gz NIJRPMYYINXSDF-RBUKOAKNSA-N 2 0 304.478 3.330 20 70 DGIDRP CCc1ccc([C@H](CC)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160211553 524048285 /nfs/dbraw/zinc/04/82/85/524048285.db2.gz SNTMTVQARITVQT-FQEVSTJZSA-N 2 0 317.521 3.316 20 70 DGIDRP C[C@@H]1CC[C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)c2ccccc21 ZINC000160246806 432712619 /nfs/dbraw/zinc/71/26/19/432712619.db2.gz WGRFKLCPKSWUQT-UZLBHIALSA-N 2 0 315.505 3.241 20 70 DGIDRP COCc1cc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000161097019 432759180 /nfs/dbraw/zinc/75/91/80/432759180.db2.gz CJRLHLKDKGGLAY-QGTPRVQTSA-N 2 0 320.477 3.365 20 70 DGIDRP COc1ccc([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000161113612 432759961 /nfs/dbraw/zinc/75/99/61/432759961.db2.gz LVABHGHAQYLMMX-IMJJTQAJSA-N 2 0 306.450 3.227 20 70 DGIDRP C(CN1CCC[C@H](C[NH+]2CCCCCC2)C1)C[NH+]1CCCCC1 ZINC000161328541 432772964 /nfs/dbraw/zinc/77/29/64/432772964.db2.gz CHFDIOLTEZNGNF-HXUWFJFHSA-N 3 0 321.553 3.450 20 70 DGIDRP CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000159941058 546057192 /nfs/dbraw/zinc/05/71/92/546057192.db2.gz YBAGJYASYGOXCI-HNNXBMFYSA-N 2 0 317.477 3.245 20 70 DGIDRP CC[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Oc1ccccc1F ZINC000160339053 546059688 /nfs/dbraw/zinc/05/96/88/546059688.db2.gz UJUAWFRRVNFUHT-HOCLYGCPSA-N 2 0 308.441 3.303 20 70 DGIDRP C[C@@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([S@](C)=O)cc1 ZINC000159622515 186131505 /nfs/dbraw/zinc/13/15/05/186131505.db2.gz GPDRQYRUZUGWSX-MCMMXHMISA-N 2 0 322.518 3.384 20 70 DGIDRP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000160255582 276773110 /nfs/dbraw/zinc/77/31/10/276773110.db2.gz WFFVZXUMNCJQQQ-FQEVSTJZSA-N 2 0 315.505 3.070 20 70 DGIDRP CC(C)C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1cccs1 ZINC000160240467 432712095 /nfs/dbraw/zinc/71/20/95/432712095.db2.gz UEDCOIGFMIJODR-KRWDZBQOSA-N 2 0 323.550 3.451 20 70 DGIDRP OCC[C@@H]([NH2+][C@H]1CCCN(Cc2ccccc2)C1)c1ccccc1 ZINC000160988820 432753185 /nfs/dbraw/zinc/75/31/85/432753185.db2.gz VLGRRBOLJKCHPZ-LEWJYISDSA-N 2 0 324.468 3.364 20 70 DGIDRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061353 432757893 /nfs/dbraw/zinc/75/78/93/432757893.db2.gz HUCZCFKYDKOYAI-OIISXLGYSA-N 2 0 318.461 3.371 20 70 DGIDRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCCO2 ZINC000161061581 432758176 /nfs/dbraw/zinc/75/81/76/432758176.db2.gz HUCZCFKYDKOYAI-PVAVHDDUSA-N 2 0 318.461 3.371 20 70 DGIDRP Cc1cccc([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1C ZINC000160680202 432736583 /nfs/dbraw/zinc/73/65/83/432736583.db2.gz ZKLAUURCPLIXAX-ZWKOTPCHSA-N 2 0 304.478 3.191 20 70 DGIDRP CCC[NH+]1CCC([NH2+]C[C@H](C)COCc2ccccc2)CC1 ZINC000161293666 546067027 /nfs/dbraw/zinc/06/70/27/546067027.db2.gz IKVVJVLFEBIQOY-KRWDZBQOSA-N 2 0 304.478 3.303 20 70 DGIDRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000160150692 197389600 /nfs/dbraw/zinc/38/96/00/197389600.db2.gz OILLXVUTSJSTOL-IBGZPJMESA-N 2 0 303.494 3.143 20 70 DGIDRP C[C@H]([NH2+][C@@H]1CCCSC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000159523895 197360842 /nfs/dbraw/zinc/36/08/42/197360842.db2.gz CCGXCPWRIBWCME-GOEBONIOSA-N 2 0 308.491 3.173 20 70 DGIDRP c1ccc(N2CCC([NH2+]CCCC[NH+]3CCCC3)CC2)cc1 ZINC000159630903 285480396 /nfs/dbraw/zinc/48/03/96/285480396.db2.gz GGBUWYLEKCZCOA-UHFFFAOYSA-N 2 0 301.478 3.121 20 70 DGIDRP COC[C@@H](C)[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000159735829 432694232 /nfs/dbraw/zinc/69/42/32/432694232.db2.gz QBPNANPHVRLQNP-GOSISDBHSA-N 2 0 318.505 3.346 20 70 DGIDRP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000160442084 432720661 /nfs/dbraw/zinc/72/06/61/432720661.db2.gz GDHTZNMZNNHBGG-LZWOXQAQSA-N 2 0 310.869 3.427 20 70 DGIDRP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(C(F)(F)F)cc1 ZINC000160509160 432725435 /nfs/dbraw/zinc/72/54/35/432725435.db2.gz ZDRXZBAUIWDMLM-WFASDCNBSA-N 2 0 316.367 3.014 20 70 DGIDRP CC[C@@H]1CCC[N@@H+](C(C)(C)CN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)C1 ZINC000161016458 432754689 /nfs/dbraw/zinc/75/46/89/432754689.db2.gz MXBAVBGALUZSQB-WNRNVDISSA-N 2 0 309.542 3.205 20 70 DGIDRP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160604860 432729859 /nfs/dbraw/zinc/72/98/59/432729859.db2.gz XPXMJBQRKXZACV-YCPHGPKFSA-N 2 0 321.534 3.273 20 70 DGIDRP C[C@H]1CC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000160732156 432738635 /nfs/dbraw/zinc/73/86/35/432738635.db2.gz CSZLTQOECSDVLO-SQGPQFPESA-N 2 0 316.489 3.452 20 70 DGIDRP CC[C@@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)C1CC1 ZINC000160362509 522884309 /nfs/dbraw/zinc/88/43/09/522884309.db2.gz VMPJNBVZVSWFBV-HXUWFJFHSA-N 2 0 315.505 3.102 20 70 DGIDRP CC[C@H](C)[N@H+](C)CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000160080947 197384294 /nfs/dbraw/zinc/38/42/94/197384294.db2.gz IYOYFRQMDLBMBY-SFHVURJKSA-N 2 0 317.521 3.013 20 70 DGIDRP COCc1cc([C@@H](C)[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000161097139 432758876 /nfs/dbraw/zinc/75/88/76/432758876.db2.gz CJRLHLKDKGGLAY-OLMNPRSZSA-N 2 0 320.477 3.365 20 70 DGIDRP C[C@@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000161094015 432759069 /nfs/dbraw/zinc/75/90/69/432759069.db2.gz HLJYAVGRNYXAST-AYBZRNKSSA-N 2 0 312.461 3.396 20 70 DGIDRP C[C@@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000161093770 432759694 /nfs/dbraw/zinc/75/96/94/432759694.db2.gz HLJYAVGRNYXAST-SUMDDJOVSA-N 2 0 312.461 3.396 20 70 DGIDRP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(OCc2ccccc2)CC1 ZINC000161394465 432776790 /nfs/dbraw/zinc/77/67/90/432776790.db2.gz NYWIWKUFRRBUJD-SFHVURJKSA-N 2 0 302.462 3.152 20 70 DGIDRP c1ccc2c(c1)CC[C@]21CN(CCC[NH+]2CCCCC2)CCO1 ZINC000161452792 432780298 /nfs/dbraw/zinc/78/02/98/432780298.db2.gz MJNXIMAVMUHZKO-FQEVSTJZSA-N 2 0 314.473 3.036 20 70 DGIDRP CCc1ccc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)s1 ZINC000160759411 432738750 /nfs/dbraw/zinc/73/87/50/432738750.db2.gz LEEABUZFPBNTOC-HUUCEWRRSA-N 2 0 310.507 3.198 20 70 DGIDRP Cc1cc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc(C)c1F ZINC000160291428 525515578 /nfs/dbraw/zinc/51/55/78/525515578.db2.gz OSDGFNSAWPSMGW-INIZCTEOSA-N 2 0 321.484 3.119 20 70 DGIDRP C[C@H]([NH2+]CCCc1nc2c(s1)CCCC2)C1CC[NH+](C)CC1 ZINC000160633481 546062078 /nfs/dbraw/zinc/06/20/78/546062078.db2.gz HIISXSQZWDZOPS-AWEZNQCLSA-N 2 0 321.534 3.274 20 70 DGIDRP C[C@@H]([NH2+][C@@H]1CCCSC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000159524029 197360783 /nfs/dbraw/zinc/36/07/83/197360783.db2.gz CCGXCPWRIBWCME-GDBMZVCRSA-N 2 0 308.491 3.173 20 70 DGIDRP CC1CCC([NH+]2CCN(CCC[NH+]3CCCCC3)CC2)CC1 ZINC000161131876 278522473 /nfs/dbraw/zinc/52/24/73/278522473.db2.gz OIVRHFGHOJUFSK-UHFFFAOYSA-N 2 0 307.526 3.059 20 70 DGIDRP CCc1ccc([C@@H](CC)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160211452 524028432 /nfs/dbraw/zinc/02/84/32/524028432.db2.gz SNTMTVQARITVQT-HXUWFJFHSA-N 2 0 317.521 3.316 20 70 DGIDRP C[C@@H]([NH2+]C[C@H](C)COCc1ccccc1)C1CC[NH+](C)CC1 ZINC000161313472 546067332 /nfs/dbraw/zinc/06/73/32/546067332.db2.gz HTLZUTPQZKAGRP-DLBZAZTESA-N 2 0 304.478 3.159 20 70 DGIDRP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(CCC[NH+]2CCCCC2)C1 ZINC000161359020 296313273 /nfs/dbraw/zinc/31/32/73/296313273.db2.gz HELOVJHAEVVQEH-WOJBJXKFSA-N 2 0 321.553 3.449 20 70 DGIDRP CC(C)c1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160152887 432708847 /nfs/dbraw/zinc/70/88/47/432708847.db2.gz TXQZDFCKGNZTAG-KRWDZBQOSA-N 2 0 317.521 3.487 20 70 DGIDRP CCCc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1 ZINC000160208400 432709450 /nfs/dbraw/zinc/70/94/50/432709450.db2.gz OZAXZALSWFOHJE-QGZVFWFLSA-N 2 0 317.521 3.316 20 70 DGIDRP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)Oc1ccccc1Cl ZINC000160441852 432720643 /nfs/dbraw/zinc/72/06/43/432720643.db2.gz GDHTZNMZNNHBGG-SQWLQELKSA-N 2 0 310.869 3.427 20 70 DGIDRP CC[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc2c(c1)OCCO2 ZINC000161045872 432756359 /nfs/dbraw/zinc/75/63/59/432756359.db2.gz GMKVPLLSKWQZST-ULQDDVLXSA-N 2 0 318.461 3.371 20 70 DGIDRP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000161158585 432764022 /nfs/dbraw/zinc/76/40/22/432764022.db2.gz AMCALJDKFJBCKM-DOMZBBRYSA-N 2 0 316.367 3.058 20 70 DGIDRP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)C(C)(C)c1ccccc1 ZINC000160670182 432733422 /nfs/dbraw/zinc/73/34/22/432733422.db2.gz KQHMMTKOCAZZJH-PKOBYXMFSA-N 2 0 318.505 3.179 20 70 DGIDRP CC1CC[NH+](C[C@H]2CCCN(CCC[NH+]3CCCCC3)C2)CC1 ZINC000160750729 432738665 /nfs/dbraw/zinc/73/86/65/432738665.db2.gz VYOSVUVEOWZPLF-FQEVSTJZSA-N 2 0 321.553 3.306 20 70 DGIDRP CCC[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccccc1 ZINC000160662295 276286846 /nfs/dbraw/zinc/28/68/46/276286846.db2.gz IIDICVIIBSAZPW-MOPGFXCFSA-N 2 0 304.478 3.354 20 70 DGIDRP CCC[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)C1CCCCC1 ZINC000160233107 292810274 /nfs/dbraw/zinc/81/02/74/292810274.db2.gz ONJOKGFLHDBFTL-IBGZPJMESA-N 2 0 309.542 3.351 20 70 DGIDRP C[NH2+]CCC[N@H+](C)Cc1ccc(Br)c2cccnc12 ZINC000160383142 521994706 /nfs/dbraw/zinc/99/47/06/521994706.db2.gz HWQRRDUXIOJOSG-UHFFFAOYSA-N 2 0 322.250 3.039 20 70 DGIDRP CC[C@H]([NH2+]Cc1ccccc1CN1CC[NH+](CC)CC1)C1CC1 ZINC000160362381 522655150 /nfs/dbraw/zinc/65/51/50/522655150.db2.gz VMPJNBVZVSWFBV-FQEVSTJZSA-N 2 0 315.505 3.102 20 70 DGIDRP CC[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)Oc1ccccc1F ZINC000160339171 546059964 /nfs/dbraw/zinc/05/99/64/546059964.db2.gz UJUAWFRRVNFUHT-GOEBONIOSA-N 2 0 308.441 3.303 20 70 DGIDRP C[C@@H]([NH2+][C@@H]1CCCSC1)c1cccc(OCC[NH+](C)C)c1 ZINC000159557171 186127065 /nfs/dbraw/zinc/12/70/65/186127065.db2.gz DVMPOTXTNWGCPN-GDBMZVCRSA-N 2 0 308.491 3.173 20 70 DGIDRP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000161109898 432759518 /nfs/dbraw/zinc/75/95/18/432759518.db2.gz INWKGLKYEJQAIM-LZLYRXPVSA-N 2 0 304.503 3.479 20 70 DGIDRP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cc1OC ZINC000161113797 432760303 /nfs/dbraw/zinc/76/03/03/432760303.db2.gz LVABHGHAQYLMMX-BPUTZDHNSA-N 2 0 306.450 3.227 20 70 DGIDRP Cc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc(C)c1F ZINC000160765079 432740970 /nfs/dbraw/zinc/74/09/70/432740970.db2.gz ALAYCCISNUGJEZ-SJLPKXTDSA-N 2 0 322.468 3.330 20 70 DGIDRP Cc1cc(C)c([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1C ZINC000160285134 197397818 /nfs/dbraw/zinc/39/78/18/197397818.db2.gz OJWIBMZWTHMRFX-SFHVURJKSA-N 2 0 317.521 3.288 20 70 DGIDRP CCn1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1C ZINC000160890164 432748318 /nfs/dbraw/zinc/74/83/18/432748318.db2.gz CWBFSHGBUHKWAK-CQSZACIVSA-N 2 0 314.477 3.432 20 70 DGIDRP C[NH+](C)[C@@H]1CCC[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000161007468 432754037 /nfs/dbraw/zinc/75/40/37/432754037.db2.gz FHEQIBTWHHOWLY-IEBWSBKVSA-N 2 0 307.526 3.246 20 70 DGIDRP C[C@H]([NH2+][C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2ccnc2)cc1 ZINC000161093893 432760029 /nfs/dbraw/zinc/76/00/29/432760029.db2.gz HLJYAVGRNYXAST-IEZWGBDMSA-N 2 0 312.461 3.396 20 70 DGIDRP COC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000161111105 432760365 /nfs/dbraw/zinc/76/03/65/432760365.db2.gz ACTMKCZWHOEHRL-RAFMOHDBSA-N 2 0 314.473 3.197 20 70 DGIDRP CC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](C2CCCCC2)CC1 ZINC000161159960 432763231 /nfs/dbraw/zinc/76/32/31/432763231.db2.gz MOINAWHWOQLIQO-LJQANCHMSA-N 2 0 307.526 3.248 20 70 DGIDRP c1ccc(COC[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000161279131 432769113 /nfs/dbraw/zinc/76/91/13/432769113.db2.gz JWMSLIYLGMZTFQ-FQEVSTJZSA-N 2 0 316.489 3.401 20 70 DGIDRP C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)COCc1ccccc1 ZINC000161298554 432771470 /nfs/dbraw/zinc/77/14/70/432771470.db2.gz VUFQKHVZLZYQLO-VXIBKDFQSA-N 2 0 304.478 3.158 20 70 DGIDRP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000160594737 432731255 /nfs/dbraw/zinc/73/12/55/432731255.db2.gz UEKZZKIMMBKDLW-HUUCEWRRSA-N 2 0 321.534 3.274 20 70 DGIDRP COc1ccc([C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cc1 ZINC000160775212 432741394 /nfs/dbraw/zinc/74/13/94/432741394.db2.gz MLMPKYYJDWYVKN-SFHVURJKSA-N 2 0 302.462 3.361 20 70 DGIDRP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)C[C@@H]1C ZINC000161509007 432783590 /nfs/dbraw/zinc/78/35/90/432783590.db2.gz WZKNNSKFZQBPHO-OFQRWUPVSA-N 2 0 324.509 3.253 20 70 DGIDRP CCOCCC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000160363866 521706226 /nfs/dbraw/zinc/70/62/26/521706226.db2.gz ABSHAWWFAIELES-UHFFFAOYSA-N 2 0 304.478 3.257 20 70 DGIDRP CC[C@H]1CCCN(C(C)(C)C[NH2+][C@@H](C)C2CC[NH+](C)CC2)C1 ZINC000161025511 546064994 /nfs/dbraw/zinc/06/49/94/546064994.db2.gz KKQDZKSKRJCPGU-IRXDYDNUSA-N 3 0 309.542 3.207 20 70 DGIDRP Oc1ccc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)cc1 ZINC000161423940 285384190 /nfs/dbraw/zinc/38/41/90/285384190.db2.gz GNNJKDZHPNGMSK-UHFFFAOYSA-N 2 0 302.462 3.448 20 70 DGIDRP Cc1cc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc(C)c1F ZINC000160291294 432714240 /nfs/dbraw/zinc/71/42/40/432714240.db2.gz OSDGFNSAWPSMGW-MRXNPFEDSA-N 2 0 321.484 3.119 20 70 DGIDRP COCc1cc([C@H](C)[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)ccc1OC ZINC000161097261 432759680 /nfs/dbraw/zinc/75/96/80/432759680.db2.gz CJRLHLKDKGGLAY-WBAXXEDZSA-N 2 0 320.477 3.365 20 70 DGIDRP CC[N@@H+]1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000160594623 432730771 /nfs/dbraw/zinc/73/07/71/432730771.db2.gz UEKZZKIMMBKDLW-CABCVRRESA-N 2 0 321.534 3.274 20 70 DGIDRP Cc1ccc(C)c([C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000160687451 432735672 /nfs/dbraw/zinc/73/56/72/432735672.db2.gz IGYIMPKHHCTXCY-QZTJIDSGSA-N 2 0 304.478 3.191 20 70 DGIDRP Cc1cc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1C ZINC000160758130 432738285 /nfs/dbraw/zinc/73/82/85/432738285.db2.gz VKKZERZGHLOOCA-RBUKOAKNSA-N 2 0 318.505 3.499 20 70 DGIDRP C[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c2ccccc21 ZINC000160732003 432738375 /nfs/dbraw/zinc/73/83/75/432738375.db2.gz CSZLTQOECSDVLO-MBOZVWFJSA-N 2 0 316.489 3.452 20 70 DGIDRP CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000160742140 432739622 /nfs/dbraw/zinc/73/96/22/432739622.db2.gz LDZUPKYTHORDKE-QZTJIDSGSA-N 2 0 308.441 3.103 20 70 DGIDRP C[C@H]([NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc([S@@](C)=O)cc1 ZINC000159622668 186131146 /nfs/dbraw/zinc/13/11/46/186131146.db2.gz GPDRQYRUZUGWSX-XMHCIUCPSA-N 2 0 322.518 3.384 20 70 DGIDRP CC[C@@H](C[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C)Oc1ccccc1F ZINC000160312013 432713320 /nfs/dbraw/zinc/71/33/20/432713320.db2.gz SSEBCCJGELLYDY-YQQAZPJKSA-N 2 0 308.441 3.303 20 70 DGIDRP Cc1ccc(C)c([C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)c1 ZINC000160687588 432736145 /nfs/dbraw/zinc/73/61/45/432736145.db2.gz IGYIMPKHHCTXCY-ZWKOTPCHSA-N 2 0 304.478 3.191 20 70 DGIDRP CCC[NH+]1CCC([NH2+]C[C@H](CC)Oc2ccccc2F)CC1 ZINC000160300598 546058955 /nfs/dbraw/zinc/05/89/55/546058955.db2.gz MQNHYGWTABPLSJ-INIZCTEOSA-N 2 0 308.441 3.447 20 70 DGIDRP CCC[NH+]1CCC([NH2+]C[C@@H](CC)Oc2ccccc2F)CC1 ZINC000160300476 546059213 /nfs/dbraw/zinc/05/92/13/546059213.db2.gz MQNHYGWTABPLSJ-MRXNPFEDSA-N 2 0 308.441 3.447 20 70 DGIDRP C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)COCc1ccccc1 ZINC000161313599 546067343 /nfs/dbraw/zinc/06/73/43/546067343.db2.gz HTLZUTPQZKAGRP-IAGOWNOFSA-N 2 0 304.478 3.159 20 70 DGIDRP C[C@H]([NH2+][C@@H]1CCCSC1)c1cccc(OCC[NH+](C)C)c1 ZINC000159557034 186126846 /nfs/dbraw/zinc/12/68/46/186126846.db2.gz DVMPOTXTNWGCPN-GOEBONIOSA-N 2 0 308.491 3.173 20 70 DGIDRP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CSCCc3ccccc32)C1 ZINC000161110126 432759652 /nfs/dbraw/zinc/75/96/52/432759652.db2.gz INWKGLKYEJQAIM-JFIYKMOQSA-N 2 0 304.503 3.479 20 70 DGIDRP C[C@H]1C[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000160588183 432731075 /nfs/dbraw/zinc/73/10/75/432731075.db2.gz JCTHGVQGIRJOFQ-KBPBESRZSA-N 2 0 307.507 3.027 20 70 DGIDRP CC[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)Oc1ccccc1F ZINC000160339301 546059883 /nfs/dbraw/zinc/05/98/83/546059883.db2.gz UJUAWFRRVNFUHT-ZBFHGGJFSA-N 2 0 308.441 3.303 20 70 DGIDRP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2cc(Cl)ccc21 ZINC000160745134 285290453 /nfs/dbraw/zinc/29/04/53/285290453.db2.gz KSXBQANKALVIMM-SJLPKXTDSA-N 2 0 322.880 3.154 20 70 DGIDRP C[C@@H]1C[C@@H]([NH2+]CCCc2nc3c(s2)CCCC3)CC[N@@H+]1C ZINC000160588040 432730268 /nfs/dbraw/zinc/73/02/68/432730268.db2.gz JCTHGVQGIRJOFQ-KGLIPLIRSA-N 2 0 307.507 3.027 20 70 DGIDRP CCC[NH+]1CCC([NH2+]CCCOCc2ccc(OC)cc2)CC1 ZINC000161058064 546064564 /nfs/dbraw/zinc/06/45/64/546064564.db2.gz JPUBVGJORCMSCB-UHFFFAOYSA-N 2 0 320.477 3.066 20 70 DGIDRP