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@]1(C(F)(F)F)C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000228906209 525233886 /nfs/dbraw/zinc/23/38/86/525233886.db2.gz JDBMWFKHEQIDAK-STQMWFEESA-N 2 1 272.314 2.646 40 0 CFABMP CC(C)[N@H+](CCO)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393533 374607029 /nfs/dbraw/zinc/60/70/29/374607029.db2.gz IOEKAVMAASXWBQ-SFHVURJKSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[N@@H+](CCO)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079393533 374607043 /nfs/dbraw/zinc/60/70/43/374607043.db2.gz IOEKAVMAASXWBQ-SFHVURJKSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[NH+](CCO)C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079393533 374607050 /nfs/dbraw/zinc/60/70/50/374607050.db2.gz IOEKAVMAASXWBQ-SFHVURJKSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[NH+](CCO)C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393533 374607055 /nfs/dbraw/zinc/60/70/55/374607055.db2.gz IOEKAVMAASXWBQ-SFHVURJKSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)N(CC[NH3+])C[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079393618 374607337 /nfs/dbraw/zinc/60/73/37/374607337.db2.gz YLLYGCVGZPBFDU-SFHVURJKSA-N 2 1 289.467 2.710 40 0 CFABMP C[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@@H+](CC3CC3)C[C@@H]21 ZINC000096058315 375468036 /nfs/dbraw/zinc/46/80/36/375468036.db2.gz USNSOQNOYAKTBZ-ULQDDVLXSA-N 2 1 256.393 2.728 40 0 CFABMP C[NH+](C)[C@H]1c2ccccc2[C@@H]2C[N@H+](CC3CC3)C[C@@H]21 ZINC000096058315 375468039 /nfs/dbraw/zinc/46/80/39/375468039.db2.gz USNSOQNOYAKTBZ-ULQDDVLXSA-N 2 1 256.393 2.728 40 0 CFABMP Cc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[C@@H](C[NH+](C)C)O3)o1 ZINC000096209517 375476795 /nfs/dbraw/zinc/47/67/95/375476795.db2.gz HAASKYGLXQDPGN-DLBZAZTESA-N 2 1 292.423 2.663 40 0 CFABMP C[C@]1(C(F)(F)F)C[N@@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000253380228 383453472 /nfs/dbraw/zinc/45/34/72/383453472.db2.gz JDBMWFKHEQIDAK-OLZOCXBDSA-N 2 1 272.314 2.646 40 0 CFABMP CCC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccco1 ZINC000096523708 393837462 /nfs/dbraw/zinc/83/74/62/393837462.db2.gz FSCAJIJYZHLHEE-UHFFFAOYSA-N 2 1 250.386 2.881 40 0 CFABMP [NH3+]CCCCCCCCCCCC[NH+]1CCNCC1 ZINC000022462596 171388294 /nfs/dbraw/zinc/38/82/94/171388294.db2.gz WVJRIURRQOEQKL-UHFFFAOYSA-N 2 1 269.477 2.751 40 0 CFABMP C[C@@]12C[C@H]3[NH2+][C@@H]1CCCC[C@H]2[NH2+][C@@H]3Cc1ccccc1 ZINC000536553495 330365788 /nfs/dbraw/zinc/36/57/88/330365788.db2.gz JTXKOFRBDGVSQW-ZKXLYKBJSA-N 2 1 270.420 2.880 40 0 CFABMP Cc1[nH+]ccn1CC1(O)CC[NH+](CC2CCCCC2)CC1 ZINC000019287949 282203528 /nfs/dbraw/zinc/20/35/28/282203528.db2.gz DKNTWFDZAQYQCL-UHFFFAOYSA-N 2 1 291.439 2.599 40 0 CFABMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc([C@H](C)O)cc2)o1 ZINC000007541193 529970952 /nfs/dbraw/zinc/97/09/52/529970952.db2.gz LFKDUPHOIMUQIY-ZDUSSCGKSA-N 2 1 288.391 2.699 40 0 CFABMP C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000242723274 541006293 /nfs/dbraw/zinc/00/62/93/541006293.db2.gz YLEFCBGSCOAZCG-CVEARBPZSA-N 2 1 250.430 2.888 40 0 CFABMP C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000042439385 372924077 /nfs/dbraw/zinc/92/40/77/372924077.db2.gz PISFTNFEMIPLBF-CYBMUJFWSA-N 2 1 252.789 2.771 40 0 CFABMP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC[NH3+])cc1 ZINC000104344575 375779796 /nfs/dbraw/zinc/77/97/96/375779796.db2.gz SMTBKEGMUSEVOP-QGZVFWFLSA-N 2 1 270.376 2.527 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489660 393474158 /nfs/dbraw/zinc/47/41/58/393474158.db2.gz DAGGEUHIWOTDNG-YDHLFZDLSA-N 2 1 292.423 2.522 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489660 393474161 /nfs/dbraw/zinc/47/41/61/393474161.db2.gz DAGGEUHIWOTDNG-YDHLFZDLSA-N 2 1 292.423 2.522 40 0 CFABMP CC(C)C[N@H+]1CCC[C@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515800 393835725 /nfs/dbraw/zinc/83/57/25/393835725.db2.gz PLGZBNKQYBMNSQ-AAEUAGOBSA-N 2 1 262.401 2.539 40 0 CFABMP c1csc(C[NH+]2CCC3(CC[N@@H+](CC4CC4)C3)CC2)n1 ZINC000096046622 185071896 /nfs/dbraw/zinc/07/18/96/185071896.db2.gz VNOJBCFZBWJDQK-UHFFFAOYSA-N 2 1 291.464 2.841 40 0 CFABMP c1csc(C[NH+]2CCC3(CC[N@H+](CC4CC4)C3)CC2)n1 ZINC000096046622 185071897 /nfs/dbraw/zinc/07/18/97/185071897.db2.gz VNOJBCFZBWJDQK-UHFFFAOYSA-N 2 1 291.464 2.841 40 0 CFABMP CC(C)[N@@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3ccsc3)C[C@@H]2O1 ZINC000096056658 185077848 /nfs/dbraw/zinc/07/78/48/185077848.db2.gz RDFUPHNIELPFDA-OAGGEKHMSA-N 2 1 294.464 2.678 40 0 CFABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096056658 185077850 /nfs/dbraw/zinc/07/78/50/185077850.db2.gz RDFUPHNIELPFDA-OAGGEKHMSA-N 2 1 294.464 2.678 40 0 CFABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3ccsc3)C[C@@H]2O1 ZINC000096056658 185077852 /nfs/dbraw/zinc/07/78/52/185077852.db2.gz RDFUPHNIELPFDA-OAGGEKHMSA-N 2 1 294.464 2.678 40 0 CFABMP C[C@H]1C[C@@](CC[NH3+])(Cc2ccccc2)[C@H](C)C[N@H+]1C ZINC000004154857 371837994 /nfs/dbraw/zinc/83/79/94/371837994.db2.gz RYJLDVIZDHEQLN-VYDXJSESSA-N 2 1 260.425 2.924 40 0 CFABMP CC(C)[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCO)CC1 ZINC000079414328 374609330 /nfs/dbraw/zinc/60/93/30/374609330.db2.gz QDUYTCUWRAORCE-UHFFFAOYSA-N 2 1 290.451 2.790 40 0 CFABMP C[N@@H+]1CCC[C@H]1C1=CCC[NH+](Cc2ccccc2)C1 ZINC000095097614 375416025 /nfs/dbraw/zinc/41/60/25/375416025.db2.gz BGINDFUNNUXUQT-KRWDZBQOSA-N 2 1 256.393 2.913 40 0 CFABMP C[N@H+]1CCC[C@H]1C1=CCC[NH+](Cc2ccccc2)C1 ZINC000095097614 375416030 /nfs/dbraw/zinc/41/60/30/375416030.db2.gz BGINDFUNNUXUQT-KRWDZBQOSA-N 2 1 256.393 2.913 40 0 CFABMP C[NH+]1CCC[C@H]1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC000095097614 375416033 /nfs/dbraw/zinc/41/60/33/375416033.db2.gz BGINDFUNNUXUQT-KRWDZBQOSA-N 2 1 256.393 2.913 40 0 CFABMP C[NH+]1CCC[C@H]1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC000095097614 375416040 /nfs/dbraw/zinc/41/60/40/375416040.db2.gz BGINDFUNNUXUQT-KRWDZBQOSA-N 2 1 256.393 2.913 40 0 CFABMP CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216416 375478882 /nfs/dbraw/zinc/47/88/82/375478882.db2.gz YXZSOCIJBQPNQI-GOSISDBHSA-N 2 1 288.435 2.873 40 0 CFABMP CC[N@H+]1CC[C@@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216416 375478894 /nfs/dbraw/zinc/47/88/94/375478894.db2.gz YXZSOCIJBQPNQI-GOSISDBHSA-N 2 1 288.435 2.873 40 0 CFABMP CC[NH+]1CC[C@@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216416 375478904 /nfs/dbraw/zinc/47/89/04/375478904.db2.gz YXZSOCIJBQPNQI-GOSISDBHSA-N 2 1 288.435 2.873 40 0 CFABMP CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216416 375478909 /nfs/dbraw/zinc/47/89/09/375478909.db2.gz YXZSOCIJBQPNQI-GOSISDBHSA-N 2 1 288.435 2.873 40 0 CFABMP CC[N@@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096217287 375479484 /nfs/dbraw/zinc/47/94/84/375479484.db2.gz QJPZPSHNZKPRCW-GDBMZVCRSA-N 2 1 294.464 2.538 40 0 CFABMP CC[N@H+]1C[C@H](COC)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096217287 375479485 /nfs/dbraw/zinc/47/94/85/375479485.db2.gz QJPZPSHNZKPRCW-GDBMZVCRSA-N 2 1 294.464 2.538 40 0 CFABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096217287 375479486 /nfs/dbraw/zinc/47/94/86/375479486.db2.gz QJPZPSHNZKPRCW-GDBMZVCRSA-N 2 1 294.464 2.538 40 0 CFABMP CC[NH+]1C[C@H](COC)[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096217287 375479487 /nfs/dbraw/zinc/47/94/87/375479487.db2.gz QJPZPSHNZKPRCW-GDBMZVCRSA-N 2 1 294.464 2.538 40 0 CFABMP COC[C@H]1CC2(C[N@H+]1C)CC[NH+](Cc1cccs1)CC2 ZINC000096219281 375479737 /nfs/dbraw/zinc/47/97/37/375479737.db2.gz DYPWJVRILXRKKN-CQSZACIVSA-N 2 1 294.464 2.681 40 0 CFABMP FC(F)(F)c1cccc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000038040524 174041457 /nfs/dbraw/zinc/04/14/57/174041457.db2.gz GJHDVUNJAACMQR-UHFFFAOYSA-N 2 1 258.287 2.547 40 0 CFABMP Clc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Cl ZINC000072203571 176341375 /nfs/dbraw/zinc/34/13/75/176341375.db2.gz WCCCDNVVUMLJKY-UHFFFAOYSA-N 2 1 259.180 2.835 40 0 CFABMP C[NH2+]CCCNc1cc[nH+]c2c(OC)ccc(C)c12 ZINC000222682696 529971647 /nfs/dbraw/zinc/97/16/47/529971647.db2.gz UEELIFFLTBWYMD-UHFFFAOYSA-N 2 1 259.353 2.573 40 0 CFABMP Cc1ccsc1C[N@@H+]1CCOC[C@@H](CC[NH+](C)C)[C@@H]1C ZINC000248091038 189944363 /nfs/dbraw/zinc/94/43/63/189944363.db2.gz FOPDKMHBXDGJNC-LSDHHAIUSA-N 2 1 296.480 2.845 40 0 CFABMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCN(CC[NH3+])C1 ZINC000079414682 374610012 /nfs/dbraw/zinc/61/00/12/374610012.db2.gz ZHEPEYQXBQEILI-GOSISDBHSA-N 2 1 289.467 2.568 40 0 CFABMP Cc1ccc(C[C@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000257280682 190025645 /nfs/dbraw/zinc/02/56/45/190025645.db2.gz OLWWDSCGWSZKIK-QGZVFWFLSA-N 2 1 287.451 2.739 40 0 CFABMP Cc1ccc(C[C@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000257280682 190025646 /nfs/dbraw/zinc/02/56/46/190025646.db2.gz OLWWDSCGWSZKIK-QGZVFWFLSA-N 2 1 287.451 2.739 40 0 CFABMP Nc1cc(CC[C@H]2C[N@@H+](C3CCCCC3)CCO2)cc[nH+]1 ZINC000257329840 190034740 /nfs/dbraw/zinc/03/47/40/190034740.db2.gz XLTHCFFBDKKGCX-INIZCTEOSA-N 2 1 289.423 2.630 40 0 CFABMP Nc1cc(CC[C@H]2C[N@H+](C3CCCCC3)CCO2)cc[nH+]1 ZINC000257329840 190034741 /nfs/dbraw/zinc/03/47/41/190034741.db2.gz XLTHCFFBDKKGCX-INIZCTEOSA-N 2 1 289.423 2.630 40 0 CFABMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@H]21 ZINC000248070880 383210596 /nfs/dbraw/zinc/21/05/96/383210596.db2.gz ATWHPKCVHSVPNU-MRVWCRGKSA-N 2 1 250.411 2.568 40 0 CFABMP c1ccc(CCNc2[nH+]cccc2CC[C@@H]2CCC[NH2+]2)nc1 ZINC000072366323 176381261 /nfs/dbraw/zinc/38/12/61/176381261.db2.gz HRCCNCWLIFABBE-INIZCTEOSA-N 2 1 296.418 2.816 40 0 CFABMP Cc1ccccc1OC[C@@H](C)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484325 230381014 /nfs/dbraw/zinc/38/10/14/230381014.db2.gz VUWRZGJYAXLRIP-IXDOHACOSA-N 2 1 288.435 2.979 40 0 CFABMP COC[C@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](C)CC2 ZINC000585104351 348734744 /nfs/dbraw/zinc/73/47/44/348734744.db2.gz ZIGNWHRODIZSNQ-CQSZACIVSA-N 2 1 294.464 2.538 40 0 CFABMP Cc1ccccc1C[N@@H+]1CC[C@]2(C1)C[C@H]([NH+](C)C)CCO2 ZINC000096207807 375478219 /nfs/dbraw/zinc/47/82/19/375478219.db2.gz SQLAHFQXXBVOFU-QZTJIDSGSA-N 2 1 288.435 2.680 40 0 CFABMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257301965 190030739 /nfs/dbraw/zinc/03/07/39/190030739.db2.gz SATSIBUHTVDBHW-QGZVFWFLSA-N 2 1 287.451 2.963 40 0 CFABMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2CCc2ccncc2)CC1 ZINC000257301965 190030740 /nfs/dbraw/zinc/03/07/40/190030740.db2.gz SATSIBUHTVDBHW-QGZVFWFLSA-N 2 1 287.451 2.963 40 0 CFABMP CCCC[N@H+](Cc1ccco1)CC1CC[NH2+]CC1 ZINC000096523714 393837400 /nfs/dbraw/zinc/83/74/00/393837400.db2.gz LYUSSZOGZLIJIN-UHFFFAOYSA-N 2 1 250.386 2.881 40 0 CFABMP c1ccc(CCNc2cc[nH+]c(C3CC[NH2+]CC3)c2)nc1 ZINC000072365193 176380709 /nfs/dbraw/zinc/38/07/09/176380709.db2.gz JZURUIJYFBBULH-UHFFFAOYSA-N 2 1 282.391 2.598 40 0 CFABMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH2+]C[C@@H]21 ZINC000104950177 186035604 /nfs/dbraw/zinc/03/56/04/186035604.db2.gz ATWHPKCVHSVPNU-FPMFFAJLSA-N 2 1 250.411 2.568 40 0 CFABMP C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)C1CC[NH2+]CC1 ZINC000036810112 372597895 /nfs/dbraw/zinc/59/78/95/372597895.db2.gz YLEFCBGSCOAZCG-HOTGVXAUSA-N 2 1 250.430 2.888 40 0 CFABMP COc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000096268571 375483121 /nfs/dbraw/zinc/48/31/21/375483121.db2.gz XAGFZMNLSNXKAI-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP COc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000096268571 375483124 /nfs/dbraw/zinc/48/31/24/375483124.db2.gz XAGFZMNLSNXKAI-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP COc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000096268571 375483126 /nfs/dbraw/zinc/48/31/26/375483126.db2.gz XAGFZMNLSNXKAI-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP COc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000096268571 375483127 /nfs/dbraw/zinc/48/31/27/375483127.db2.gz XAGFZMNLSNXKAI-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP CC(C)C[N@H+]1CCC[C@@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242614897 382986652 /nfs/dbraw/zinc/98/66/52/382986652.db2.gz PLGZBNKQYBMNSQ-DGCLKSJQSA-N 2 1 262.401 2.539 40 0 CFABMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@@H]2C[NH2+]C[C@@H]21 ZINC000248070879 383211033 /nfs/dbraw/zinc/21/10/33/383211033.db2.gz ATWHPKCVHSVPNU-KWCYVHTRSA-N 2 1 250.411 2.568 40 0 CFABMP CC(C)[N@@H+](CCN)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393627 393718302 /nfs/dbraw/zinc/71/83/02/393718302.db2.gz FWMWAVWVMFUMQI-UHFFFAOYSA-N 2 1 289.467 2.568 40 0 CFABMP c1csc(C[NH+]2C[C@H]3CC[N@H+](CC4CC4)C[C@H]3C2)c1 ZINC000096054129 185076739 /nfs/dbraw/zinc/07/67/39/185076739.db2.gz SBCFRLSWKHQHHQ-CABCVRRESA-N 2 1 276.449 2.912 40 0 CFABMP c1csc(C[N@H+]2C[C@H]3CC[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096054129 185076740 /nfs/dbraw/zinc/07/67/40/185076740.db2.gz SBCFRLSWKHQHHQ-CABCVRRESA-N 2 1 276.449 2.912 40 0 CFABMP c1csc(C[N@@H+]2C[C@H]3CC[NH+](CC4CC4)C[C@H]3C2)c1 ZINC000096054129 185076741 /nfs/dbraw/zinc/07/67/41/185076741.db2.gz SBCFRLSWKHQHHQ-CABCVRRESA-N 2 1 276.449 2.912 40 0 CFABMP Clc1cccc(OCCCC[N@@H+]2CCC[NH2+]CC2)c1 ZINC000071978880 176307884 /nfs/dbraw/zinc/30/78/84/176307884.db2.gz BACNJTFJFLUYRX-UHFFFAOYSA-N 2 1 282.815 2.794 40 0 CFABMP Clc1cccc(OCCCC[N@H+]2CCC[NH2+]CC2)c1 ZINC000071978880 176307885 /nfs/dbraw/zinc/30/78/85/176307885.db2.gz BACNJTFJFLUYRX-UHFFFAOYSA-N 2 1 282.815 2.794 40 0 CFABMP COc1ccc([C@@]2(CC[NH3+])C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004340231 295233033 /nfs/dbraw/zinc/23/30/33/295233033.db2.gz QCPLMTXDUPTFBC-CPUCHLNUSA-N 2 1 276.424 2.642 40 0 CFABMP C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000051919060 373417191 /nfs/dbraw/zinc/41/71/91/373417191.db2.gz MCSZLRUACZVXNF-HRCADAONSA-N 2 1 250.430 2.888 40 0 CFABMP Fc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1C(F)(F)F ZINC000067802740 374003755 /nfs/dbraw/zinc/00/37/55/374003755.db2.gz UVJRKXSHTJVRIB-UHFFFAOYSA-N 2 1 276.277 2.686 40 0 CFABMP CC(C)[N@H+]1CC[C@H](C(F)(F)F)C2(CC[NH2+]CC2)C1 ZINC000096261707 375483365 /nfs/dbraw/zinc/48/33/65/375483365.db2.gz OCHCMHCFWIZMOA-NSHDSACASA-N 2 1 264.335 2.649 40 0 CFABMP C(C[N@H+]1CC[C@H]2CCCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000250842097 383381653 /nfs/dbraw/zinc/38/16/53/383381653.db2.gz MCSZLRUACZVXNF-XHSDSOJGSA-N 2 1 250.430 2.888 40 0 CFABMP C[C@]1(C[NH3+])C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380278 383453777 /nfs/dbraw/zinc/45/37/77/383453777.db2.gz YRYXNWZNKHBXMA-OLZOCXBDSA-N 2 1 272.314 2.646 40 0 CFABMP C[C@]1(C[NH3+])C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380278 383453779 /nfs/dbraw/zinc/45/37/79/383453779.db2.gz YRYXNWZNKHBXMA-OLZOCXBDSA-N 2 1 272.314 2.646 40 0 CFABMP C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000110763955 393882357 /nfs/dbraw/zinc/88/23/57/393882357.db2.gz YLEFCBGSCOAZCG-HZPDHXFCSA-N 2 1 250.430 2.888 40 0 CFABMP C[C@@]1(C[NH3+])C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905090 279159128 /nfs/dbraw/zinc/15/91/28/279159128.db2.gz YRYXNWZNKHBXMA-QWHCGFSZSA-N 2 1 272.314 2.646 40 0 CFABMP C[C@@]1(C[NH3+])C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905090 279159129 /nfs/dbraw/zinc/15/91/29/279159129.db2.gz YRYXNWZNKHBXMA-QWHCGFSZSA-N 2 1 272.314 2.646 40 0 CFABMP Cc1ccc(C[N@H+]2C[C@H]3CC[NH+](CC4CC4)C[C@H]3C2)o1 ZINC000096054132 185076288 /nfs/dbraw/zinc/07/62/88/185076288.db2.gz IGOGVRRMIJESEN-CVEARBPZSA-N 2 1 274.408 2.752 40 0 CFABMP Cc1ccc(C[NH+]2C[C@H]3CC[N@H+](CC4CC4)C[C@H]3C2)o1 ZINC000096054132 185076290 /nfs/dbraw/zinc/07/62/90/185076290.db2.gz IGOGVRRMIJESEN-CVEARBPZSA-N 2 1 274.408 2.752 40 0 CFABMP Cc1ccc(C[NH+]2C[C@H]3CC[N@@H+](CC4CC4)C[C@H]3C2)o1 ZINC000096054132 185076291 /nfs/dbraw/zinc/07/62/91/185076291.db2.gz IGOGVRRMIJESEN-CVEARBPZSA-N 2 1 274.408 2.752 40 0 CFABMP Cc1ccc(C[N@@H+]2CCOC[C@@H](CC[NH+](C)C)[C@@H]2C)cc1 ZINC000306123409 540166120 /nfs/dbraw/zinc/16/61/20/540166120.db2.gz AMEUQEHCNJMTLO-FUHWJXTLSA-N 2 1 290.451 2.784 40 0 CFABMP COC[C@@H]1CC2(C[N@H+]1C)CC[NH+](Cc1cccs1)CC2 ZINC000096219283 375479553 /nfs/dbraw/zinc/47/95/53/375479553.db2.gz DYPWJVRILXRKKN-AWEZNQCLSA-N 2 1 294.464 2.681 40 0 CFABMP CC(C)C[N@H+]1CCC[C@H]1c1[nH]nc2c1[C@H]([NH3+])CCC2 ZINC000242614899 382986693 /nfs/dbraw/zinc/98/66/93/382986693.db2.gz PLGZBNKQYBMNSQ-YPMHNXCESA-N 2 1 262.401 2.539 40 0 CFABMP Cc1ccccc1C[NH+]1CC2(C1)OCC[C@H]2CC[NH+](C)C ZINC000248131928 383212513 /nfs/dbraw/zinc/21/25/13/383212513.db2.gz QQMGMGQASWJZJW-QGZVFWFLSA-N 2 1 288.435 2.538 40 0 CFABMP C[C@@H](CC[C@@H]1CCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484329 533648949 /nfs/dbraw/zinc/64/89/49/533648949.db2.gz YBZJXKRRDPZJQF-JJXSEGSLSA-N 2 1 266.429 2.551 40 0 CFABMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC000031771718 393510323 /nfs/dbraw/zinc/51/03/23/393510323.db2.gz IMOVCMDJFZOMGS-WBVHZDCISA-N 2 1 258.409 2.993 40 0 CFABMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC000031771718 393510327 /nfs/dbraw/zinc/51/03/27/393510327.db2.gz IMOVCMDJFZOMGS-WBVHZDCISA-N 2 1 258.409 2.993 40 0 CFABMP Cc1ccccc1OC[C@@H](C)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484323 230381127 /nfs/dbraw/zinc/38/11/27/230381127.db2.gz VUWRZGJYAXLRIP-BRWVUGGUSA-N 2 1 288.435 2.979 40 0 CFABMP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC[NH3+])cc1 ZINC000019365855 372156746 /nfs/dbraw/zinc/15/67/46/372156746.db2.gz SMTBKEGMUSEVOP-KRWDZBQOSA-N 2 1 270.376 2.527 40 0 CFABMP Cc1cc(Cl)cc2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000068136463 374021921 /nfs/dbraw/zinc/02/19/21/374021921.db2.gz DLHDHMFOYLPOLJ-UHFFFAOYSA-N 2 1 261.756 2.606 40 0 CFABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000100178199 375614157 /nfs/dbraw/zinc/61/41/57/375614157.db2.gz QDUYTCUWRAORCE-HDICACEKSA-N 2 1 290.451 2.790 40 0 CFABMP COc1ccc([C@@]2(CC[NH3+])C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000004340232 169958928 /nfs/dbraw/zinc/95/89/28/169958928.db2.gz QCPLMTXDUPTFBC-KEYYUXOJSA-N 2 1 276.424 2.642 40 0 CFABMP C[C@]1(C[NH3+])C[N@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905104 525245013 /nfs/dbraw/zinc/24/50/13/525245013.db2.gz YRYXNWZNKHBXMA-STQMWFEESA-N 2 1 272.314 2.646 40 0 CFABMP C[C@]1(C[NH3+])C[N@@H+](Cc2ccccc2)C[C@@H]1C(F)(F)F ZINC000228905104 525245017 /nfs/dbraw/zinc/24/50/17/525245017.db2.gz YRYXNWZNKHBXMA-STQMWFEESA-N 2 1 272.314 2.646 40 0 CFABMP COC[C@@H]1C[N@@H+](Cc2cccs2)CC12CC[NH+](C)CC2 ZINC000585104341 348734761 /nfs/dbraw/zinc/73/47/61/348734761.db2.gz ZIGNWHRODIZSNQ-AWEZNQCLSA-N 2 1 294.464 2.538 40 0 CFABMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@]1(CC[NH3+])Cc1ccccc1 ZINC000002908725 371764583 /nfs/dbraw/zinc/76/45/83/371764583.db2.gz RYJLDVIZDHEQLN-YQQAZPJKSA-N 2 1 260.425 2.924 40 0 CFABMP C[C@H]1C[N@@H+](C)[C@@H](C)C[C@@]1(CC[NH3+])Cc1ccccc1 ZINC000013510384 372030432 /nfs/dbraw/zinc/03/04/32/372030432.db2.gz RYJLDVIZDHEQLN-ZOBUZTSGSA-N 2 1 260.425 2.924 40 0 CFABMP COc1ccccc1C[NH+]1CCC2(CC[N@@H+](C)C2)CC1 ZINC000096268538 375483674 /nfs/dbraw/zinc/48/36/74/375483674.db2.gz UERFBWFXJXPGNJ-UHFFFAOYSA-N 2 1 274.408 2.613 40 0 CFABMP Nc1cc(CC[C@@H]2C[N@@H+](C3CCCCC3)CCO2)cc[nH+]1 ZINC000257329841 190034959 /nfs/dbraw/zinc/03/49/59/190034959.db2.gz XLTHCFFBDKKGCX-MRXNPFEDSA-N 2 1 289.423 2.630 40 0 CFABMP Nc1cc(CC[C@@H]2C[N@H+](C3CCCCC3)CCO2)cc[nH+]1 ZINC000257329841 190034960 /nfs/dbraw/zinc/03/49/60/190034960.db2.gz XLTHCFFBDKKGCX-MRXNPFEDSA-N 2 1 289.423 2.630 40 0 CFABMP CSc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1 ZINC000044527970 175192442 /nfs/dbraw/zinc/19/24/42/175192442.db2.gz SEKQTLJLHXPTOO-CYBMUJFWSA-N 2 1 250.411 2.579 40 0 CFABMP Cc1[nH+]ccn1-c1ccc([C@H]2CCCC[N@H+]2C)cn1 ZINC000072386494 176391409 /nfs/dbraw/zinc/39/14/09/176391409.db2.gz AOVOIKQOBAUPQO-CQSZACIVSA-N 2 1 256.353 2.733 40 0 CFABMP Cc1[nH+]ccn1-c1ccc([C@H]2CCCC[N@@H+]2C)cn1 ZINC000072386494 176391411 /nfs/dbraw/zinc/39/14/11/176391411.db2.gz AOVOIKQOBAUPQO-CQSZACIVSA-N 2 1 256.353 2.733 40 0 CFABMP Cc1ccc(Cl)c2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000068136460 274744456 /nfs/dbraw/zinc/74/44/56/274744456.db2.gz WHAAMNKXYVJCGL-UHFFFAOYSA-N 2 1 261.756 2.606 40 0 CFABMP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](CC3CCC3)C[C@@H]21 ZINC000096081865 282119264 /nfs/dbraw/zinc/11/92/64/282119264.db2.gz IBZLRHHUCPVRGU-ARFHVFGLSA-N 2 1 250.430 2.696 40 0 CFABMP Cc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000235875777 348230418 /nfs/dbraw/zinc/23/04/18/348230418.db2.gz CUZXLGLJDCIRBF-LBPRGKRZSA-N 2 1 252.789 2.819 40 0 CFABMP Cc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(Cl)c1 ZINC000235875777 348230420 /nfs/dbraw/zinc/23/04/20/348230420.db2.gz CUZXLGLJDCIRBF-LBPRGKRZSA-N 2 1 252.789 2.819 40 0 CFABMP CC[NH+](CC)CC[C@H]1C[N@@H+](C2CCC2)Cc2ccnn21 ZINC000585112784 348734308 /nfs/dbraw/zinc/73/43/08/348734308.db2.gz WMVNBCPWPHMIPV-INIZCTEOSA-N 2 1 276.428 2.524 40 0 CFABMP CC[NH+](CC)CC[C@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000585112784 348734311 /nfs/dbraw/zinc/73/43/11/348734311.db2.gz WMVNBCPWPHMIPV-INIZCTEOSA-N 2 1 276.428 2.524 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013424571 372026665 /nfs/dbraw/zinc/02/66/65/372026665.db2.gz GDGJJJMFINQFHI-ZENOOKHLSA-N 2 1 262.397 2.514 40 0 CFABMP CC[NH+]1CCC([N@@H+]2CCC[C@@H]2c2ccnc(NC)c2)CC1 ZINC000257210327 190012196 /nfs/dbraw/zinc/01/21/96/190012196.db2.gz BUCGEQBKKHZNJV-MRXNPFEDSA-N 2 1 288.439 2.745 40 0 CFABMP CC[NH+]1CCC([N@H+]2CCC[C@@H]2c2ccnc(NC)c2)CC1 ZINC000257210327 190012197 /nfs/dbraw/zinc/01/21/97/190012197.db2.gz BUCGEQBKKHZNJV-MRXNPFEDSA-N 2 1 288.439 2.745 40 0 CFABMP Cc1[nH+]cc2cc(C)nc([C@@H]3CCC[N@H+](C(C)C)C3)n21 ZINC000257248506 190020128 /nfs/dbraw/zinc/02/01/28/190020128.db2.gz JDYFNCCPPVYCIQ-CQSZACIVSA-N 2 1 272.396 2.934 40 0 CFABMP C[NH+](C)Cc1c[nH]c([C@@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000257263119 190022212 /nfs/dbraw/zinc/02/22/12/190022212.db2.gz LOMVTHGBABEOCA-MRXNPFEDSA-N 2 1 298.434 2.503 40 0 CFABMP C[NH+](C)Cc1c[nH]c([C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000257263119 190022213 /nfs/dbraw/zinc/02/22/13/190022213.db2.gz LOMVTHGBABEOCA-MRXNPFEDSA-N 2 1 298.434 2.503 40 0 CFABMP C[NH+](C)Cc1cnc([C@@H]2CC[N@H+](CCc3ccccc3)C2)[nH]1 ZINC000257263119 190022214 /nfs/dbraw/zinc/02/22/14/190022214.db2.gz LOMVTHGBABEOCA-MRXNPFEDSA-N 2 1 298.434 2.503 40 0 CFABMP C[NH+](C)Cc1cnc([C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]1 ZINC000257263119 190022215 /nfs/dbraw/zinc/02/22/15/190022215.db2.gz LOMVTHGBABEOCA-MRXNPFEDSA-N 2 1 298.434 2.503 40 0 CFABMP CN(C)c1cc([C@H]2CCCN(c3cc[nH+]cc3)C2)cc[nH+]1 ZINC000072380926 374249731 /nfs/dbraw/zinc/24/97/31/374249731.db2.gz VHEYDSIKZTZEMH-HNNXBMFYSA-N 2 1 282.391 2.927 40 0 CFABMP Cc1ccc(C[NH+]2C[C@H]3C[C@H](C[N@H+](C)C(C)C)O[C@H]3C2)o1 ZINC000096251653 256834670 /nfs/dbraw/zinc/83/46/70/256834670.db2.gz VRDOBUHDIQLNJE-OIISXLGYSA-N 2 1 292.423 2.518 40 0 CFABMP Cc1ccc(C[N@H+]2C[C@H]3C[C@H](C[NH+](C)C(C)C)O[C@H]3C2)o1 ZINC000096251653 256834671 /nfs/dbraw/zinc/83/46/71/256834671.db2.gz VRDOBUHDIQLNJE-OIISXLGYSA-N 2 1 292.423 2.518 40 0 CFABMP Cc1ccc(C[N@@H+]2C[C@H]3C[C@H](C[NH+](C)C(C)C)O[C@H]3C2)o1 ZINC000096251653 256834672 /nfs/dbraw/zinc/83/46/72/256834672.db2.gz VRDOBUHDIQLNJE-OIISXLGYSA-N 2 1 292.423 2.518 40 0 CFABMP CCCC[N@H+](Cc1ccco1)C[C@@H]1CCC[NH2+]C1 ZINC000096523664 393837052 /nfs/dbraw/zinc/83/70/52/393837052.db2.gz YQIHGJLEFPWEPX-CQSZACIVSA-N 2 1 250.386 2.881 40 0 CFABMP C[NH2+]CCC[NH2+]Cc1ccc(-c2ccc([C@@H](C)O)cc2)o1 ZINC000007541197 529970865 /nfs/dbraw/zinc/97/08/65/529970865.db2.gz LFKDUPHOIMUQIY-CYBMUJFWSA-N 2 1 288.391 2.699 40 0 CFABMP CC[NH+](CC)CCC[NH2+]Cc1cn(C(C)C)nc1C ZINC000256053136 190004574 /nfs/dbraw/zinc/00/45/74/190004574.db2.gz QEBIDQGBGQAMRQ-UHFFFAOYSA-N 2 1 266.433 2.594 40 0 CFABMP CC(C)N(CC[NH3+])C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393621 393718488 /nfs/dbraw/zinc/71/84/88/393718488.db2.gz YQMGLCVNSXRXAX-GOSISDBHSA-N 2 1 289.467 2.568 40 0 CFABMP CC(C)(C)OC(=O)[C@H]([NH3+])CCCCCCCCC[NH3+] ZINC000090609430 393779918 /nfs/dbraw/zinc/77/99/18/393779918.db2.gz ZMSPQQATWLAOSV-CYBMUJFWSA-N 2 1 272.433 2.735 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000005730020 170134403 /nfs/dbraw/zinc/13/44/03/170134403.db2.gz GDGJJJMFINQFHI-XEZPLFJOSA-N 2 1 262.397 2.514 40 0 CFABMP CC[NH+](CC)CC[C@@H]1C[N@@H+](C2CCC2)Cc2ccnn21 ZINC000585112787 348734270 /nfs/dbraw/zinc/73/42/70/348734270.db2.gz WMVNBCPWPHMIPV-MRXNPFEDSA-N 2 1 276.428 2.524 40 0 CFABMP CC[NH+](CC)CC[C@@H]1C[N@H+](C2CCC2)Cc2ccnn21 ZINC000585112787 348734273 /nfs/dbraw/zinc/73/42/73/348734273.db2.gz WMVNBCPWPHMIPV-MRXNPFEDSA-N 2 1 276.428 2.524 40 0 CFABMP CC(C)[N@H+](CCO)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079394012 374607565 /nfs/dbraw/zinc/60/75/65/374607565.db2.gz IOEKAVMAASXWBQ-GOSISDBHSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[N@@H+](CCO)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000079394012 374607577 /nfs/dbraw/zinc/60/75/77/374607577.db2.gz IOEKAVMAASXWBQ-GOSISDBHSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[NH+](CCO)C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000079394012 374607582 /nfs/dbraw/zinc/60/75/82/374607582.db2.gz IOEKAVMAASXWBQ-GOSISDBHSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[NH+](CCO)C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079394012 374607593 /nfs/dbraw/zinc/60/75/93/374607593.db2.gz IOEKAVMAASXWBQ-GOSISDBHSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[N@@H+](CCO)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000079393535 374608311 /nfs/dbraw/zinc/60/83/11/374608311.db2.gz QCVYIUAHERQJHK-UHFFFAOYSA-N 2 1 290.451 2.601 40 0 CFABMP Cc1ccc(C[N@@H+]2CC[C@]3(C2)C[C@H]([NH+](C)C)CCO3)s1 ZINC000096205900 375478027 /nfs/dbraw/zinc/47/80/27/375478027.db2.gz YOUVNXKOAZVNLC-GDBMZVCRSA-N 2 1 294.464 2.742 40 0 CFABMP CC(C)[N@@H+](Cc1ccccc1)[C@H]1CC[C@H]([NH2+]CCO)CC1 ZINC000248008417 383205993 /nfs/dbraw/zinc/20/59/93/383205993.db2.gz QDUYTCUWRAORCE-IYARVYRRSA-N 2 1 290.451 2.790 40 0 CFABMP COCC[N@H+]1CCCC12CC[NH+](CCC(F)(F)F)CC2 ZINC000096075215 285014184 /nfs/dbraw/zinc/01/41/84/285014184.db2.gz GCBKAXUYSBXFRD-UHFFFAOYSA-N 2 1 294.361 2.516 40 0 CFABMP C[N@H+]1CC2(C[C@@H]1COCC1CC1)CC[NH+](C1CCC1)CC2 ZINC000096207046 256824289 /nfs/dbraw/zinc/82/42/89/256824289.db2.gz VEPGBSFYODDTDM-QGZVFWFLSA-N 2 1 292.467 2.752 40 0 CFABMP C[NH+](CC(O)C[N@H+](C)C1CCCCC1)C1CCCCC1 ZINC000001669906 282379741 /nfs/dbraw/zinc/37/97/41/282379741.db2.gz KGWZBRWXCDVICQ-UHFFFAOYSA-N 2 1 282.472 2.876 40 0 CFABMP CC(C)[C@@H]1[C@H]2C[N@@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409432580 348601535 /nfs/dbraw/zinc/60/15/35/348601535.db2.gz WAWUURVMWPXQKR-IXDOHACOSA-N 2 1 258.409 2.705 40 0 CFABMP CC(C)C[NH+]1CCC2(CC1)Nc1ccccc1C1=[NH+]CCN12 ZINC000013568135 372034372 /nfs/dbraw/zinc/03/43/72/372034372.db2.gz MWPRVUONLSTFEV-UHFFFAOYSA-N 2 1 298.434 2.622 40 0 CFABMP C[NH+](C)Cc1cncc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257205800 190011227 /nfs/dbraw/zinc/01/12/27/190011227.db2.gz BAPIHZBFUPWOBG-MRXNPFEDSA-N 2 1 274.412 2.618 40 0 CFABMP C[NH+](C)Cc1cncc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000257205800 190011228 /nfs/dbraw/zinc/01/12/28/190011228.db2.gz BAPIHZBFUPWOBG-MRXNPFEDSA-N 2 1 274.412 2.618 40 0 CFABMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2c2ccnc(NC)c2)CC1 ZINC000257210326 190012557 /nfs/dbraw/zinc/01/25/57/190012557.db2.gz BUCGEQBKKHZNJV-INIZCTEOSA-N 2 1 288.439 2.745 40 0 CFABMP CC[NH+]1CCC([N@H+]2CCC[C@H]2c2ccnc(NC)c2)CC1 ZINC000257210326 190012558 /nfs/dbraw/zinc/01/25/58/190012558.db2.gz BUCGEQBKKHZNJV-INIZCTEOSA-N 2 1 288.439 2.745 40 0 CFABMP CC[NH+]1CCC([N@@H+]2CCC[C@H]2CCc2ccncc2)CC1 ZINC000257301964 190030620 /nfs/dbraw/zinc/03/06/20/190030620.db2.gz SATSIBUHTVDBHW-KRWDZBQOSA-N 2 1 287.451 2.963 40 0 CFABMP CC[NH+]1CCC([N@H+]2CCC[C@H]2CCc2ccncc2)CC1 ZINC000257301964 190030621 /nfs/dbraw/zinc/03/06/21/190030621.db2.gz SATSIBUHTVDBHW-KRWDZBQOSA-N 2 1 287.451 2.963 40 0 CFABMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1CC1)[C@H]2C ZINC000096061999 375468694 /nfs/dbraw/zinc/46/86/94/375468694.db2.gz UEZLQMJQLAZMKW-ZDUSSCGKSA-N 2 1 276.428 2.510 40 0 CFABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1CC1)[C@H]2C ZINC000096061999 375468699 /nfs/dbraw/zinc/46/86/99/375468699.db2.gz UEZLQMJQLAZMKW-ZDUSSCGKSA-N 2 1 276.428 2.510 40 0 CFABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CC1)[C@H]2C ZINC000096061999 375468702 /nfs/dbraw/zinc/46/87/02/375468702.db2.gz UEZLQMJQLAZMKW-ZDUSSCGKSA-N 2 1 276.428 2.510 40 0 CFABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1CC1)[C@H]2C ZINC000096061999 375468707 /nfs/dbraw/zinc/46/87/07/375468707.db2.gz UEZLQMJQLAZMKW-ZDUSSCGKSA-N 2 1 276.428 2.510 40 0 CFABMP Cc1ccc(C[C@@H]2CCC[N@@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000257280681 190025547 /nfs/dbraw/zinc/02/55/47/190025547.db2.gz OLWWDSCGWSZKIK-KRWDZBQOSA-N 2 1 287.451 2.739 40 0 CFABMP Cc1ccc(C[C@@H]2CCC[N@H+](C3CC[NH+](C)CC3)C2)cn1 ZINC000257280681 190025548 /nfs/dbraw/zinc/02/55/48/190025548.db2.gz OLWWDSCGWSZKIK-KRWDZBQOSA-N 2 1 287.451 2.739 40 0 CFABMP CNc1cc(C)[nH+]c([C@H]2CC[N@@H+](Cc3ccncc3)C2)c1 ZINC000257333101 190035420 /nfs/dbraw/zinc/03/54/20/190035420.db2.gz YADWCNINSPBORK-HNNXBMFYSA-N 2 1 282.391 2.816 40 0 CFABMP C[C@@]1(C[NH3+])C[N@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380277 383453053 /nfs/dbraw/zinc/45/30/53/383453053.db2.gz YRYXNWZNKHBXMA-CHWSQXEVSA-N 2 1 272.314 2.646 40 0 CFABMP C[C@@]1(C[NH3+])C[N@@H+](Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000253380277 383453056 /nfs/dbraw/zinc/45/30/56/383453056.db2.gz YRYXNWZNKHBXMA-CHWSQXEVSA-N 2 1 272.314 2.646 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1OC ZINC000012489648 393474034 /nfs/dbraw/zinc/47/40/34/393474034.db2.gz DAGGEUHIWOTDNG-GUTXKFCHSA-N 2 1 292.423 2.522 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000012489648 393474039 /nfs/dbraw/zinc/47/40/39/393474039.db2.gz DAGGEUHIWOTDNG-GUTXKFCHSA-N 2 1 292.423 2.522 40 0 CFABMP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@@H+](C1CCCC1)C2 ZINC000585111749 348734729 /nfs/dbraw/zinc/73/47/29/348734729.db2.gz AKUBHLLESIXZLZ-QGZVFWFLSA-N 2 1 288.439 2.668 40 0 CFABMP c1cc2n(n1)[C@H](CC[NH+]1CCCC1)C[N@H+](C1CCCC1)C2 ZINC000585111749 348734730 /nfs/dbraw/zinc/73/47/30/348734730.db2.gz AKUBHLLESIXZLZ-QGZVFWFLSA-N 2 1 288.439 2.668 40 0 CFABMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC000031771719 372416955 /nfs/dbraw/zinc/41/69/55/372416955.db2.gz IMOVCMDJFZOMGS-RDJZCZTQSA-N 2 1 258.409 2.993 40 0 CFABMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+]1CCCC1 ZINC000031771719 372416961 /nfs/dbraw/zinc/41/69/61/372416961.db2.gz IMOVCMDJFZOMGS-RDJZCZTQSA-N 2 1 258.409 2.993 40 0 CFABMP CC[N@@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216419 375479096 /nfs/dbraw/zinc/47/90/96/375479096.db2.gz YXZSOCIJBQPNQI-SFHVURJKSA-N 2 1 288.435 2.873 40 0 CFABMP CC[N@H+]1CC[C@]2(C1)CCC[NH+](CCOc1ccccc1)C2 ZINC000096216419 375479101 /nfs/dbraw/zinc/47/91/01/375479101.db2.gz YXZSOCIJBQPNQI-SFHVURJKSA-N 2 1 288.435 2.873 40 0 CFABMP CC[NH+]1CC[C@]2(C1)CCC[N@H+](CCOc1ccccc1)C2 ZINC000096216419 375479108 /nfs/dbraw/zinc/47/91/08/375479108.db2.gz YXZSOCIJBQPNQI-SFHVURJKSA-N 2 1 288.435 2.873 40 0 CFABMP CC[NH+]1CC[C@]2(C1)CCC[N@@H+](CCOc1ccccc1)C2 ZINC000096216419 375479113 /nfs/dbraw/zinc/47/91/13/375479113.db2.gz YXZSOCIJBQPNQI-SFHVURJKSA-N 2 1 288.435 2.873 40 0 CFABMP CC[N@@H+](C)[C@@H]1COC2(C1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096220794 375479660 /nfs/dbraw/zinc/47/96/60/375479660.db2.gz XQEJGNDOMJOXEI-HNNXBMFYSA-N 2 1 292.423 2.663 40 0 CFABMP CCOc1cccc2c(NCCC[NH3+])cc(C)[nH+]c12 ZINC000222690371 382803425 /nfs/dbraw/zinc/80/34/25/382803425.db2.gz TVEBDLXDDPPBLD-UHFFFAOYSA-N 2 1 259.353 2.703 40 0 CFABMP COc1ccc([C@@]2(CC[NH3+])C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000013118892 286366064 /nfs/dbraw/zinc/36/60/64/286366064.db2.gz QCPLMTXDUPTFBC-VBQJREDUSA-N 2 1 276.424 2.642 40 0 CFABMP COC[C@H]1CC2(C[N@H+]1C(C)C)CC[NH+](CC1CC1)CC2 ZINC000096051772 293189820 /nfs/dbraw/zinc/18/98/20/293189820.db2.gz SHCPCONEUXCTEW-MRXNPFEDSA-N 2 1 280.456 2.608 40 0 CFABMP C[C@H](CC[C@H]1CCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484332 230381110 /nfs/dbraw/zinc/38/11/10/230381110.db2.gz YBZJXKRRDPZJQF-KLHDSHLOSA-N 2 1 266.429 2.551 40 0 CFABMP C[NH+](C)C[C@@H]1CCC[C@@H]2C[N@@H+](Cc3nccs3)C[C@@H]21 ZINC000096081869 185090614 /nfs/dbraw/zinc/09/06/14/185090614.db2.gz NVWVHCHLFBGUIC-BFHYXJOUSA-N 2 1 279.453 2.553 40 0 CFABMP Cc1ccc(C[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cn1 ZINC000585181340 348737996 /nfs/dbraw/zinc/73/79/96/348737996.db2.gz OQYONURKQVOSQI-MRXNPFEDSA-N 2 1 284.407 2.578 40 0 CFABMP CC(C)(C)OC(=O)[C@@H]([NH3+])CCCCCCCCC[NH3+] ZINC000090609431 393780440 /nfs/dbraw/zinc/78/04/40/393780440.db2.gz ZMSPQQATWLAOSV-ZDUSSCGKSA-N 2 1 272.433 2.735 40 0 CFABMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccco1 ZINC000096523711 393836907 /nfs/dbraw/zinc/83/69/07/393836907.db2.gz CXVFKKXEXPZSIZ-CQSZACIVSA-N 2 1 250.386 2.881 40 0 CFABMP C(C[N@H+]1CC[C@H]2CCCC[C@@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000110763994 393882916 /nfs/dbraw/zinc/88/29/16/393882916.db2.gz MCSZLRUACZVXNF-ARFHVFGLSA-N 2 1 250.430 2.888 40 0 CFABMP CC(C)[N@H+](C)Cc1cnc2n1CC[NH+](CC1CC1)[C@@H]2C ZINC000096061998 185083433 /nfs/dbraw/zinc/08/34/33/185083433.db2.gz UEZLQMJQLAZMKW-CYBMUJFWSA-N 2 1 276.428 2.510 40 0 CFABMP CC(C)[N@@H+](C)Cc1cnc2n1CC[NH+](CC1CC1)[C@@H]2C ZINC000096061998 185083435 /nfs/dbraw/zinc/08/34/35/185083435.db2.gz UEZLQMJQLAZMKW-CYBMUJFWSA-N 2 1 276.428 2.510 40 0 CFABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@@H+](CC1CC1)[C@@H]2C ZINC000096061998 185083436 /nfs/dbraw/zinc/08/34/36/185083436.db2.gz UEZLQMJQLAZMKW-CYBMUJFWSA-N 2 1 276.428 2.510 40 0 CFABMP CC(C)[NH+](C)Cc1cnc2n1CC[N@H+](CC1CC1)[C@@H]2C ZINC000096061998 185083438 /nfs/dbraw/zinc/08/34/38/185083438.db2.gz UEZLQMJQLAZMKW-CYBMUJFWSA-N 2 1 276.428 2.510 40 0 CFABMP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@@H+](C1CCCC1)C2 ZINC000585111748 348734594 /nfs/dbraw/zinc/73/45/94/348734594.db2.gz AKUBHLLESIXZLZ-KRWDZBQOSA-N 2 1 288.439 2.668 40 0 CFABMP c1cc2n(n1)[C@@H](CC[NH+]1CCCC1)C[N@H+](C1CCCC1)C2 ZINC000585111748 348734598 /nfs/dbraw/zinc/73/45/98/348734598.db2.gz AKUBHLLESIXZLZ-KRWDZBQOSA-N 2 1 288.439 2.668 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004019249 371827805 /nfs/dbraw/zinc/82/78/05/371827805.db2.gz DAGGEUHIWOTDNG-IPYPFGDCSA-N 2 1 292.423 2.522 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004019249 371827808 /nfs/dbraw/zinc/82/78/08/371827808.db2.gz DAGGEUHIWOTDNG-IPYPFGDCSA-N 2 1 292.423 2.522 40 0 CFABMP C[NH+]1CCC([N@@H+]2CC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000049168879 373273605 /nfs/dbraw/zinc/27/36/05/373273605.db2.gz JYKRSVIBYBLVKU-ZDUSSCGKSA-N 2 1 285.391 2.711 40 0 biogenic,in-vitro CFABMP C[NH+]1CCC([N@H+]2CC[C@H](c3nc4ccccc4o3)C2)CC1 ZINC000049168879 373273619 /nfs/dbraw/zinc/27/36/19/373273619.db2.gz JYKRSVIBYBLVKU-ZDUSSCGKSA-N 2 1 285.391 2.711 40 0 biogenic,in-vitro CFABMP CC[NH+](CC)CCC[NH2+]Cc1cnn(C(C)C)c1C ZINC000256051059 190003733 /nfs/dbraw/zinc/00/37/33/190003733.db2.gz HNWYMMWYLNPPSO-UHFFFAOYSA-N 2 1 266.433 2.594 40 0 CFABMP Cc1ccc(C[N@H+]2CCCC3(CC[NH2+]CC3)C2)cc1 ZINC000257692572 190038410 /nfs/dbraw/zinc/03/84/10/190038410.db2.gz JMFDIELPULBMEH-UHFFFAOYSA-N 2 1 258.409 2.961 40 0 CFABMP Cn1cc[nH+]c1CC1CC[NH+](CCc2ccccc2)CC1 ZINC000072363737 176378359 /nfs/dbraw/zinc/37/83/59/176378359.db2.gz IYZRKBMQNFGXIF-UHFFFAOYSA-N 2 1 283.419 2.917 40 0 CFABMP FC(F)(F)c1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000061626299 373723549 /nfs/dbraw/zinc/72/35/49/373723549.db2.gz GWXOMSLRFLTKFF-UHFFFAOYSA-N 2 1 258.287 2.547 40 0 CFABMP CCn1cc(C[N@H+]2CC[C@@H](c3cc(NC)cc(C)[nH+]3)C2)cn1 ZINC000257242834 190018741 /nfs/dbraw/zinc/01/87/41/190018741.db2.gz IEJIMPMXDSFJCZ-OAHLLOKOSA-N 2 1 299.422 2.638 40 0 CFABMP C[C@H]1[C@H](CC[NH+](C)C)COCC[N@H+]1Cc1cccc(F)c1 ZINC000306127629 382452996 /nfs/dbraw/zinc/45/29/96/382452996.db2.gz GDXHGUYIBGIDSI-GOEBONIOSA-N 2 1 294.414 2.614 40 0 CFABMP Cc1ccccc1C[N@@H+]1CCOC[C@@H](CC[NH+](C)C)[C@@H]1C ZINC000248148961 383214733 /nfs/dbraw/zinc/21/47/33/383214733.db2.gz WTGKJIXYQKRXLG-FUHWJXTLSA-N 2 1 290.451 2.784 40 0 CFABMP C[C@@]1(C(F)(F)F)C[N@@H+](Cc2ccccc2)C[C@H]1C[NH3+] ZINC000253380227 383453122 /nfs/dbraw/zinc/45/31/22/383453122.db2.gz JDBMWFKHEQIDAK-CHWSQXEVSA-N 2 1 272.314 2.646 40 0 CFABMP Cn1cccc1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000005066045 170063009 /nfs/dbraw/zinc/06/30/09/170063009.db2.gz NFCLHGXZFMHDTD-UHFFFAOYSA-N 2 1 283.419 2.779 40 0 CFABMP CSc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1 ZINC000044527971 175192673 /nfs/dbraw/zinc/19/26/73/175192673.db2.gz SEKQTLJLHXPTOO-ZDUSSCGKSA-N 2 1 250.411 2.579 40 0 CFABMP Cc1c(Cl)ccc2c(N3CC[NH2+]CC3)cc[nH+]c12 ZINC000040165622 372780235 /nfs/dbraw/zinc/78/02/35/372780235.db2.gz RTKLOCMGIXMEIJ-UHFFFAOYSA-N 2 1 261.756 2.606 40 0 CFABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCCN1CC[NH3+] ZINC000079414676 374609704 /nfs/dbraw/zinc/60/97/04/374609704.db2.gz YAFMEVMHYYTZFE-GOSISDBHSA-N 2 1 289.467 2.710 40 0 CFABMP C[NH+](C)[C@@H]1CCO[C@]2(CC[N@@H+](Cc3ccc(F)cc3)C2)C1 ZINC000096205809 375478141 /nfs/dbraw/zinc/47/81/41/375478141.db2.gz UPTTTXSREJYWAB-IAGOWNOFSA-N 2 1 292.398 2.511 40 0 CFABMP C[C@@]1(C(F)(F)F)C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH3+] ZINC000228906228 525821311 /nfs/dbraw/zinc/82/13/11/525821311.db2.gz JDBMWFKHEQIDAK-QWHCGFSZSA-N 2 1 272.314 2.646 40 0 CFABMP CC(C)[C@@H]1[C@@H]2C[N@@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409432579 348601458 /nfs/dbraw/zinc/60/14/58/348601458.db2.gz WAWUURVMWPXQKR-GVDBMIGSSA-N 2 1 258.409 2.705 40 0 CFABMP C[NH+](C)Cc1cc(C[C@@H]2C[C@H]([NH2+]CC3CC3)C2(C)C)no1 ZINC000067890217 374013901 /nfs/dbraw/zinc/01/39/01/374013901.db2.gz ZJTYQCODULVCST-CJNGLKHVSA-N 2 1 291.439 2.693 40 0 biogenic,in-vitro CFABMP CC(C)[N@H+](Cc1ccccc1)CC1CC[NH+](CCO)CC1 ZINC000079414323 374610545 /nfs/dbraw/zinc/61/05/45/374610545.db2.gz BIEXIOMJLMYTGL-UHFFFAOYSA-N 2 1 290.451 2.601 40 0 CFABMP CC[N@@H+](C)[C@H]1COC2(C1)CC[NH+](Cc1ccc(C)o1)CC2 ZINC000096220793 375479951 /nfs/dbraw/zinc/47/99/51/375479951.db2.gz XQEJGNDOMJOXEI-OAHLLOKOSA-N 2 1 292.423 2.663 40 0 CFABMP CCn1cc(C[N@H+]2CC[C@H](c3cc(NC)cc(C)[nH+]3)C2)cn1 ZINC000257242833 190018934 /nfs/dbraw/zinc/01/89/34/190018934.db2.gz IEJIMPMXDSFJCZ-HNNXBMFYSA-N 2 1 299.422 2.638 40 0 CFABMP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257258749 190021599 /nfs/dbraw/zinc/02/15/99/190021599.db2.gz KVISGWGBKPZYNN-HNNXBMFYSA-N 2 1 274.412 2.618 40 0 CFABMP C[NH+](C)Cc1ccnc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000257258749 190021600 /nfs/dbraw/zinc/02/16/00/190021600.db2.gz KVISGWGBKPZYNN-HNNXBMFYSA-N 2 1 274.412 2.618 40 0 CFABMP COc1ccccc1[C@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C ZINC000257268376 383495136 /nfs/dbraw/zinc/49/51/36/383495136.db2.gz MLKRHBJSNVIMSO-MRXNPFEDSA-N 2 1 283.375 2.583 40 0 CFABMP COc1ccccc1[C@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C ZINC000257268376 383495138 /nfs/dbraw/zinc/49/51/38/383495138.db2.gz MLKRHBJSNVIMSO-MRXNPFEDSA-N 2 1 283.375 2.583 40 0 CFABMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccco1 ZINC000096523710 393837089 /nfs/dbraw/zinc/83/70/89/393837089.db2.gz CXVFKKXEXPZSIZ-AWEZNQCLSA-N 2 1 250.386 2.881 40 0 CFABMP Cc1ccc(C[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cn1 ZINC000585181339 348738216 /nfs/dbraw/zinc/73/82/16/348738216.db2.gz OQYONURKQVOSQI-INIZCTEOSA-N 2 1 284.407 2.578 40 0 CFABMP Clc1ccccc1OCCCC[N@@H+]1CCC[NH2+]CC1 ZINC000067799503 374004069 /nfs/dbraw/zinc/00/40/69/374004069.db2.gz HLJRCLKMSPNCEW-UHFFFAOYSA-N 2 1 282.815 2.794 40 0 CFABMP Clc1ccccc1OCCCC[N@H+]1CCC[NH2+]CC1 ZINC000067799503 374004078 /nfs/dbraw/zinc/00/40/78/374004078.db2.gz HLJRCLKMSPNCEW-UHFFFAOYSA-N 2 1 282.815 2.794 40 0 CFABMP c1cncc(C[N@@H+]2CCC3(C2)CC[NH+](CC2CC2)CC3)c1 ZINC000096157414 375469923 /nfs/dbraw/zinc/46/99/23/375469923.db2.gz OFKOSVBOPGEQFB-UHFFFAOYSA-N 2 1 285.435 2.780 40 0 CFABMP c1ccc(C[NH+]2CCC3(CC[N@H+](CC4CC4)C3)CC2)nc1 ZINC000096157565 375470701 /nfs/dbraw/zinc/47/07/01/375470701.db2.gz FNFUUKRHZKJDBF-UHFFFAOYSA-N 2 1 285.435 2.780 40 0 CFABMP C[N@H+]1CC2(C[C@H]1COCC1CC1)CC[NH+](C1CCC1)CC2 ZINC000096207047 375477138 /nfs/dbraw/zinc/47/71/38/375477138.db2.gz VEPGBSFYODDTDM-KRWDZBQOSA-N 2 1 292.467 2.752 40 0 CFABMP OCC[NH2+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000100178187 375614894 /nfs/dbraw/zinc/61/48/94/375614894.db2.gz NUJJBIXYAVDLBR-CALCHBBNSA-N 2 1 288.435 2.544 40 0 CFABMP C[NH+](C)Cc1cncc([C@@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257205799 190011472 /nfs/dbraw/zinc/01/14/72/190011472.db2.gz BAPIHZBFUPWOBG-INIZCTEOSA-N 2 1 274.412 2.618 40 0 CFABMP C[NH+](C)Cc1cncc([C@@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000257205799 190011473 /nfs/dbraw/zinc/01/14/73/190011473.db2.gz BAPIHZBFUPWOBG-INIZCTEOSA-N 2 1 274.412 2.618 40 0 CFABMP C[NH+](C)Cc1c[nH]c([C@H]2CC[N@H+](CCc3ccccc3)C2)n1 ZINC000257263118 190022642 /nfs/dbraw/zinc/02/26/42/190022642.db2.gz LOMVTHGBABEOCA-INIZCTEOSA-N 2 1 298.434 2.503 40 0 CFABMP C[NH+](C)Cc1c[nH]c([C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000257263118 190022643 /nfs/dbraw/zinc/02/26/43/190022643.db2.gz LOMVTHGBABEOCA-INIZCTEOSA-N 2 1 298.434 2.503 40 0 CFABMP C[NH+](C)Cc1cnc([C@H]2CC[N@H+](CCc3ccccc3)C2)[nH]1 ZINC000257263118 190022644 /nfs/dbraw/zinc/02/26/44/190022644.db2.gz LOMVTHGBABEOCA-INIZCTEOSA-N 2 1 298.434 2.503 40 0 CFABMP C[NH+](C)Cc1cnc([C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]1 ZINC000257263118 190022645 /nfs/dbraw/zinc/02/26/45/190022645.db2.gz LOMVTHGBABEOCA-INIZCTEOSA-N 2 1 298.434 2.503 40 0 CFABMP Cc1ccccc1C[NH+]1CC2(C1)OCC[C@@H]2CC[NH+](C)C ZINC000248131926 383213421 /nfs/dbraw/zinc/21/34/21/383213421.db2.gz QQMGMGQASWJZJW-KRWDZBQOSA-N 2 1 288.435 2.538 40 0 CFABMP COc1ccccc1[C@@H]1CN(c2cc[nH+]cc2)CC[N@@H+]1C ZINC000257268375 383495419 /nfs/dbraw/zinc/49/54/19/383495419.db2.gz MLKRHBJSNVIMSO-INIZCTEOSA-N 2 1 283.375 2.583 40 0 CFABMP COc1ccccc1[C@@H]1CN(c2cc[nH+]cc2)CC[N@H+]1C ZINC000257268375 383495424 /nfs/dbraw/zinc/49/54/24/383495424.db2.gz MLKRHBJSNVIMSO-INIZCTEOSA-N 2 1 283.375 2.583 40 0 CFABMP COC[C@@H]1CC2(C[N@H+]1C(C)C)CC[NH+](CC1CC1)CC2 ZINC000096051773 185074435 /nfs/dbraw/zinc/07/44/35/185074435.db2.gz SHCPCONEUXCTEW-INIZCTEOSA-N 2 1 280.456 2.608 40 0 CFABMP CC(C)[N@@H+](C)C[C@H]1C[C@@H]2C[NH+](Cc3cccs3)C[C@@H]2O1 ZINC000096100358 185097862 /nfs/dbraw/zinc/09/78/62/185097862.db2.gz FWGTZXDWLHZEEG-FMKPAKJESA-N 2 1 294.464 2.678 40 0 CFABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@H+](Cc3cccs3)C[C@@H]2O1 ZINC000096100358 185097865 /nfs/dbraw/zinc/09/78/65/185097865.db2.gz FWGTZXDWLHZEEG-FMKPAKJESA-N 2 1 294.464 2.678 40 0 CFABMP CC(C)[NH+](C)C[C@H]1C[C@@H]2C[N@@H+](Cc3cccs3)C[C@@H]2O1 ZINC000096100358 185097866 /nfs/dbraw/zinc/09/78/66/185097866.db2.gz FWGTZXDWLHZEEG-FMKPAKJESA-N 2 1 294.464 2.678 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000004019248 371827277 /nfs/dbraw/zinc/82/72/77/371827277.db2.gz DAGGEUHIWOTDNG-NFAWXSAZSA-N 2 1 292.423 2.522 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000004019248 371827284 /nfs/dbraw/zinc/82/72/84/371827284.db2.gz DAGGEUHIWOTDNG-NFAWXSAZSA-N 2 1 292.423 2.522 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000054976515 373533113 /nfs/dbraw/zinc/53/31/13/373533113.db2.gz GDGJJJMFINQFHI-WWGRRREGSA-N 2 1 262.397 2.514 40 0 CFABMP C[N@@H+]1CCC[C@@H]1C1=CCC[NH+](Cc2ccccc2)C1 ZINC000095097613 375415975 /nfs/dbraw/zinc/41/59/75/375415975.db2.gz BGINDFUNNUXUQT-QGZVFWFLSA-N 2 1 256.393 2.913 40 0 CFABMP C[N@H+]1CCC[C@@H]1C1=CCC[NH+](Cc2ccccc2)C1 ZINC000095097613 375415981 /nfs/dbraw/zinc/41/59/81/375415981.db2.gz BGINDFUNNUXUQT-QGZVFWFLSA-N 2 1 256.393 2.913 40 0 CFABMP C[NH+]1CCC[C@@H]1C1=CCC[N@H+](Cc2ccccc2)C1 ZINC000095097613 375415983 /nfs/dbraw/zinc/41/59/83/375415983.db2.gz BGINDFUNNUXUQT-QGZVFWFLSA-N 2 1 256.393 2.913 40 0 CFABMP C[NH+]1CCC[C@@H]1C1=CCC[N@@H+](Cc2ccccc2)C1 ZINC000095097613 375415988 /nfs/dbraw/zinc/41/59/88/375415988.db2.gz BGINDFUNNUXUQT-QGZVFWFLSA-N 2 1 256.393 2.913 40 0 CFABMP CNc1cc(C)[nH+]c([C@@H]2CC[N@@H+](Cc3ccncc3)C2)c1 ZINC000257333102 190035731 /nfs/dbraw/zinc/03/57/31/190035731.db2.gz YADWCNINSPBORK-OAHLLOKOSA-N 2 1 282.391 2.816 40 0 CFABMP Cc1cnc(C2(C)CC[NH+](C3CC[NH+](C)CC3)CC2)s1 ZINC000257331273 190035769 /nfs/dbraw/zinc/03/57/69/190035769.db2.gz XSCJBAJPCHTXJM-UHFFFAOYSA-N 2 1 293.480 2.899 40 0 CFABMP CCOc1cccc2c(NCCC[NH2+]C)cc(C)[nH+]c12 ZINC000222690456 382803505 /nfs/dbraw/zinc/80/35/05/382803505.db2.gz XDNBFRAWHOHPID-UHFFFAOYSA-N 2 1 273.380 2.963 40 0 CFABMP c1ccc(CCNc2[nH+]cccc2CC[C@H]2CCC[NH2+]2)nc1 ZINC000072366324 176381154 /nfs/dbraw/zinc/38/11/54/176381154.db2.gz HRCCNCWLIFABBE-MRXNPFEDSA-N 2 1 296.418 2.816 40 0 CFABMP C[NH2+]CCCNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000222689908 529971622 /nfs/dbraw/zinc/97/16/22/529971622.db2.gz CRSBRMSFBGUADW-UHFFFAOYSA-N 2 1 259.353 2.573 40 0 CFABMP COc1ccc([C@@]2(CC[NH3+])C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000001242153 371661848 /nfs/dbraw/zinc/66/18/48/371661848.db2.gz QCPLMTXDUPTFBC-ZQIUZPCESA-N 2 1 276.424 2.642 40 0 CFABMP CN(C)c1cc([C@@H]2CCCN(c3cc[nH+]cc3)C2)cc[nH+]1 ZINC000072380925 374249456 /nfs/dbraw/zinc/24/94/56/374249456.db2.gz VHEYDSIKZTZEMH-OAHLLOKOSA-N 2 1 282.391 2.927 40 0 CFABMP CC(C)N(CC[NH3+])C[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000079393619 374607129 /nfs/dbraw/zinc/60/71/29/374607129.db2.gz YLLYGCVGZPBFDU-GOSISDBHSA-N 2 1 289.467 2.710 40 0 CFABMP OCC[NH2+]C1CCC([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000079414436 374610085 /nfs/dbraw/zinc/61/00/85/374610085.db2.gz NUJJBIXYAVDLBR-UHFFFAOYSA-N 2 1 288.435 2.544 40 0 CFABMP CC(C)[N@@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CCO)C1 ZINC000079414307 374610663 /nfs/dbraw/zinc/61/06/63/374610663.db2.gz FIQOVIZBRXHEGB-SFHVURJKSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCC[NH+](CCO)C1 ZINC000079414307 374610669 /nfs/dbraw/zinc/61/06/69/374610669.db2.gz FIQOVIZBRXHEGB-SFHVURJKSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[NH+](Cc1ccccc1)C[C@H]1CCC[N@H+](CCO)C1 ZINC000079414307 374610673 /nfs/dbraw/zinc/61/06/73/374610673.db2.gz FIQOVIZBRXHEGB-SFHVURJKSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[NH+](Cc1ccccc1)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000079414307 374610678 /nfs/dbraw/zinc/61/06/78/374610678.db2.gz FIQOVIZBRXHEGB-SFHVURJKSA-N 2 1 290.451 2.601 40 0 CFABMP CC[N@@H+]1C[C@@H](COC)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096220294 375479529 /nfs/dbraw/zinc/47/95/29/375479529.db2.gz QJPZPSHNZKPRCW-GOEBONIOSA-N 2 1 294.464 2.538 40 0 CFABMP CC[N@H+]1C[C@@H](COC)[C@]2(CC[NH+](Cc3cccs3)C2)C1 ZINC000096220294 375479532 /nfs/dbraw/zinc/47/95/32/375479532.db2.gz QJPZPSHNZKPRCW-GOEBONIOSA-N 2 1 294.464 2.538 40 0 CFABMP CC[NH+]1C[C@@H](COC)[C@]2(CC[N@H+](Cc3cccs3)C2)C1 ZINC000096220294 375479534 /nfs/dbraw/zinc/47/95/34/375479534.db2.gz QJPZPSHNZKPRCW-GOEBONIOSA-N 2 1 294.464 2.538 40 0 CFABMP CC[NH+]1C[C@@H](COC)[C@]2(CC[N@@H+](Cc3cccs3)C2)C1 ZINC000096220294 375479537 /nfs/dbraw/zinc/47/95/37/375479537.db2.gz QJPZPSHNZKPRCW-GOEBONIOSA-N 2 1 294.464 2.538 40 0 CFABMP COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000096268544 375483598 /nfs/dbraw/zinc/48/35/98/375483598.db2.gz NHFAWALQZBGJNW-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000096268544 375483603 /nfs/dbraw/zinc/48/36/03/375483603.db2.gz NHFAWALQZBGJNW-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000096268544 375483608 /nfs/dbraw/zinc/48/36/08/375483608.db2.gz NHFAWALQZBGJNW-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000096268544 375483616 /nfs/dbraw/zinc/48/36/16/375483616.db2.gz NHFAWALQZBGJNW-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP Cc1[nH+]cc2cc(C)nc([C@H]3CCC[N@H+](C(C)C)C3)n21 ZINC000257248505 190020205 /nfs/dbraw/zinc/02/02/05/190020205.db2.gz JDYFNCCPPVYCIQ-AWEZNQCLSA-N 2 1 272.396 2.934 40 0 CFABMP OCC[NH2+][C@H]1CC[C@H]([N@@H+](Cc2ccccc2)C2CC2)CC1 ZINC000247740338 383195150 /nfs/dbraw/zinc/19/51/50/383195150.db2.gz NUJJBIXYAVDLBR-QAQDUYKDSA-N 2 1 288.435 2.544 40 0 CFABMP C[N@@H+](Cc1cccs1)[C@@H]1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000248070878 383210981 /nfs/dbraw/zinc/21/09/81/383210981.db2.gz ATWHPKCVHSVPNU-IACUBPJLSA-N 2 1 250.411 2.568 40 0 CFABMP CC(C)C[N@H+]1CCC[C@@H]1c1[nH]nc2c1[C@@H]([NH3+])CCC2 ZINC000096515799 393836473 /nfs/dbraw/zinc/83/64/73/393836473.db2.gz PLGZBNKQYBMNSQ-WCQYABFASA-N 2 1 262.401 2.539 40 0 CFABMP C[C@@]12C[C@H]3[NH2+][C@H]1CCCC[C@H]2[NH2+][C@@H]3Cc1ccccc1 ZINC000536553485 330365870 /nfs/dbraw/zinc/36/58/70/330365870.db2.gz JTXKOFRBDGVSQW-DZVNLGKHSA-N 2 1 270.420 2.880 40 0 CFABMP c1cc(C[NH+]2C[C@H]3CC[N@H+](CC4CC4)C[C@H]3C2)cs1 ZINC000096054130 185076601 /nfs/dbraw/zinc/07/66/01/185076601.db2.gz GWLOAMKJLDNZLF-CVEARBPZSA-N 2 1 276.449 2.912 40 0 CFABMP c1cc(C[N@H+]2C[C@H]3CC[NH+](CC4CC4)C[C@H]3C2)cs1 ZINC000096054130 185076603 /nfs/dbraw/zinc/07/66/03/185076603.db2.gz GWLOAMKJLDNZLF-CVEARBPZSA-N 2 1 276.449 2.912 40 0 CFABMP c1cc(C[N@@H+]2C[C@H]3CC[NH+](CC4CC4)C[C@H]3C2)cs1 ZINC000096054130 185076604 /nfs/dbraw/zinc/07/66/04/185076604.db2.gz GWLOAMKJLDNZLF-CVEARBPZSA-N 2 1 276.449 2.912 40 0 CFABMP C[NH+](C)Cc1ccnc([C@H]2CCC[N@@H+]2C2CCCC2)n1 ZINC000257258750 282150429 /nfs/dbraw/zinc/15/04/29/282150429.db2.gz KVISGWGBKPZYNN-OAHLLOKOSA-N 2 1 274.412 2.618 40 0 CFABMP C[NH+](C)Cc1ccnc([C@H]2CCC[N@H+]2C2CCCC2)n1 ZINC000257258750 282150430 /nfs/dbraw/zinc/15/04/30/282150430.db2.gz KVISGWGBKPZYNN-OAHLLOKOSA-N 2 1 274.412 2.618 40 0 CFABMP C(C[N@H+]1CC[C@@H]2CCCC[C@@H]2C1)C1CC[NH2+]CC1 ZINC000036810111 372597458 /nfs/dbraw/zinc/59/74/58/372597458.db2.gz YLEFCBGSCOAZCG-JKSUJKDBSA-N 2 1 250.430 2.888 40 0 CFABMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCCCN1CC[NH3+] ZINC000079414673 374609505 /nfs/dbraw/zinc/60/95/05/374609505.db2.gz YAFMEVMHYYTZFE-SFHVURJKSA-N 2 1 289.467 2.710 40 0 CFABMP C[C@@H](CC[C@H]1CCCO1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000096484331 533649185 /nfs/dbraw/zinc/64/91/85/533649185.db2.gz YBZJXKRRDPZJQF-ZJIFWQFVSA-N 2 1 266.429 2.551 40 0 CFABMP C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257250350 283261739 /nfs/dbraw/zinc/26/17/39/283261739.db2.gz JMEHRFDHLFGCOF-IECFSIQFSA-N 2 1 270.420 2.832 40 0 CFABMP C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@H]2Cc1ccccc1 ZINC000257250350 283261744 /nfs/dbraw/zinc/26/17/44/283261744.db2.gz JMEHRFDHLFGCOF-IECFSIQFSA-N 2 1 270.420 2.832 40 0 CFABMP C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CCC[NH2+]C1 ZINC000042439387 372923886 /nfs/dbraw/zinc/92/38/86/372923886.db2.gz PISFTNFEMIPLBF-ZDUSSCGKSA-N 2 1 252.789 2.771 40 0 CFABMP CC(C)[N@H+](Cc1ccccc1)CC1CCN(CC[NH3+])CC1 ZINC000079414697 374609222 /nfs/dbraw/zinc/60/92/22/374609222.db2.gz ZHQYSPMUPZYNDQ-UHFFFAOYSA-N 2 1 289.467 2.568 40 0 CFABMP C[NH+](C)C[C@H]1CCC[C@]2(CC[N@@H+](Cc3cccs3)C2)O1 ZINC000096216597 375480182 /nfs/dbraw/zinc/48/01/82/375480182.db2.gz KQTQVFAYTSCMQV-GDBMZVCRSA-N 2 1 294.464 2.823 40 0 CFABMP COc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000096268570 375483453 /nfs/dbraw/zinc/48/34/53/375483453.db2.gz XAGFZMNLSNXKAI-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP COc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000096268570 375483456 /nfs/dbraw/zinc/48/34/56/375483456.db2.gz XAGFZMNLSNXKAI-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP COc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000096268570 375483457 /nfs/dbraw/zinc/48/34/57/375483457.db2.gz XAGFZMNLSNXKAI-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP COc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000096268570 375483460 /nfs/dbraw/zinc/48/34/60/375483460.db2.gz XAGFZMNLSNXKAI-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000096268545 375484233 /nfs/dbraw/zinc/48/42/33/375484233.db2.gz NHFAWALQZBGJNW-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000096268545 375484235 /nfs/dbraw/zinc/48/42/35/375484235.db2.gz NHFAWALQZBGJNW-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000096268545 375484241 /nfs/dbraw/zinc/48/42/41/375484241.db2.gz NHFAWALQZBGJNW-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000096268545 375484244 /nfs/dbraw/zinc/48/42/44/375484244.db2.gz NHFAWALQZBGJNW-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP FC(F)(F)c1ccc2c(c1)[nH+]ccc2N1CC[NH2+]CC1 ZINC000044628743 274906777 /nfs/dbraw/zinc/90/67/77/274906777.db2.gz BVERGOAQAVGIGE-UHFFFAOYSA-N 2 1 281.281 2.663 40 0 CFABMP C[N@@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257250351 277215567 /nfs/dbraw/zinc/21/55/67/277215567.db2.gz JMEHRFDHLFGCOF-MDMSPXHWSA-N 2 1 270.420 2.832 40 0 CFABMP C[N@H+]1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3[NH2+][C@@H]2Cc1ccccc1 ZINC000257250351 277215568 /nfs/dbraw/zinc/21/55/68/277215568.db2.gz JMEHRFDHLFGCOF-MDMSPXHWSA-N 2 1 270.420 2.832 40 0 CFABMP [NH3+]CCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000222679006 327935108 /nfs/dbraw/zinc/93/51/08/327935108.db2.gz OFYVTEWJWKBTDU-UHFFFAOYSA-N 2 1 280.169 2.758 40 0 CFABMP c1cncc(C[N@@H+]2CCCC23CC[NH+](CC2CC2)CC3)c1 ZINC000096049321 185072778 /nfs/dbraw/zinc/07/27/78/185072778.db2.gz VCJKBWBWWOIHOT-UHFFFAOYSA-N 2 1 285.435 2.922 40 0 CFABMP Cc1nc[nH]c1C[N@H+](C)[C@H]1CCCN(c2cccc(C)n2)C1 ZINC000585182303 348738134 /nfs/dbraw/zinc/73/81/34/348738134.db2.gz LIXJGTGJSVWLQZ-HNNXBMFYSA-N 2 1 299.422 2.522 40 0 CFABMP COc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000054976514 373532921 /nfs/dbraw/zinc/53/29/21/373532921.db2.gz GDGJJJMFINQFHI-IOASZLSFSA-N 2 1 262.397 2.514 40 0 CFABMP CCCC[N@H+](Cc1ccco1)C[C@H]1CCC[NH2+]C1 ZINC000096523665 393837120 /nfs/dbraw/zinc/83/71/20/393837120.db2.gz YQIHGJLEFPWEPX-AWEZNQCLSA-N 2 1 250.386 2.881 40 0 CFABMP Cc1[nH+]ccn1-c1ccc([C@@H]2CCCC[N@H+]2C)cn1 ZINC000072386493 176391642 /nfs/dbraw/zinc/39/16/42/176391642.db2.gz AOVOIKQOBAUPQO-AWEZNQCLSA-N 2 1 256.353 2.733 40 0 CFABMP Cc1[nH+]ccn1-c1ccc([C@@H]2CCCC[N@@H+]2C)cn1 ZINC000072386493 176391643 /nfs/dbraw/zinc/39/16/43/176391643.db2.gz AOVOIKQOBAUPQO-AWEZNQCLSA-N 2 1 256.353 2.733 40 0 CFABMP Cc1cc(N2CC[NH2+]CC2)c2cccc(Cl)c2[nH+]1 ZINC000032500251 274708903 /nfs/dbraw/zinc/70/89/03/274708903.db2.gz YQVIFBFVEIVFLP-UHFFFAOYSA-N 2 1 261.756 2.606 40 0 CFABMP CC(C)[C@@H]1[C@@H]2C[N@@H+](C)C[C@@H]2C[NH+]1Cc1ccccc1 ZINC000409432578 348601017 /nfs/dbraw/zinc/60/10/17/348601017.db2.gz WAWUURVMWPXQKR-BRWVUGGUSA-N 2 1 258.409 2.705 40 0 CFABMP CC(C)[C@@H]1[C@H]2C[N@@H+](C)C[C@H]2C[NH+]1Cc1ccccc1 ZINC000409432581 348601668 /nfs/dbraw/zinc/60/16/68/348601668.db2.gz WAWUURVMWPXQKR-YESZJQIVSA-N 2 1 258.409 2.705 40 0 CFABMP Cc1nc[nH]c1C[N@H+](C)[C@@H]1CCCN(c2cccc(C)n2)C1 ZINC000585182304 348737967 /nfs/dbraw/zinc/73/79/67/348737967.db2.gz LIXJGTGJSVWLQZ-OAHLLOKOSA-N 2 1 299.422 2.522 40 0 CFABMP COc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000063527655 373809589 /nfs/dbraw/zinc/80/95/89/373809589.db2.gz JDFVAHRZXQDXAO-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000063527655 373809593 /nfs/dbraw/zinc/80/95/93/373809593.db2.gz JDFVAHRZXQDXAO-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000063527655 373809600 /nfs/dbraw/zinc/80/96/00/373809600.db2.gz JDFVAHRZXQDXAO-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000063527655 373809603 /nfs/dbraw/zinc/80/96/03/373809603.db2.gz JDFVAHRZXQDXAO-KRWDZBQOSA-N 2 1 274.408 2.613 40 0 CFABMP Nc1ccc[nH+]c1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000095079709 375408767 /nfs/dbraw/zinc/40/87/67/375408767.db2.gz PFHDYPGBVBYERH-UHFFFAOYSA-N 2 1 282.391 2.740 40 0 CFABMP CC[NH+](CC)CCCNc1[nH+]c2ccccc2n1C ZINC000035167700 172026955 /nfs/dbraw/zinc/02/69/55/172026955.db2.gz YHJLAPCZYQNTKM-UHFFFAOYSA-N 2 1 260.385 2.717 40 0 CFABMP C[C@H]1C[C@](CC[NH3+])(Cc2ccccc2)[C@H](C)C[N@H+]1C ZINC000004154859 291160546 /nfs/dbraw/zinc/16/05/46/291160546.db2.gz RYJLDVIZDHEQLN-HLLBOEOZSA-N 2 1 260.425 2.924 40 0 CFABMP CC(C)N(CC[NH3+])C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000079393626 374608322 /nfs/dbraw/zinc/60/83/22/374608322.db2.gz YQMGLCVNSXRXAX-SFHVURJKSA-N 2 1 289.467 2.568 40 0 CFABMP CC(C)[N@@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CCO)C1 ZINC000079414303 374610503 /nfs/dbraw/zinc/61/05/03/374610503.db2.gz FIQOVIZBRXHEGB-GOSISDBHSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[N@H+](Cc1ccccc1)C[C@@H]1CCC[NH+](CCO)C1 ZINC000079414303 374610509 /nfs/dbraw/zinc/61/05/09/374610509.db2.gz FIQOVIZBRXHEGB-GOSISDBHSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[NH+](Cc1ccccc1)C[C@@H]1CCC[N@H+](CCO)C1 ZINC000079414303 374610516 /nfs/dbraw/zinc/61/05/16/374610516.db2.gz FIQOVIZBRXHEGB-GOSISDBHSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[NH+](Cc1ccccc1)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000079414303 374610521 /nfs/dbraw/zinc/61/05/21/374610521.db2.gz FIQOVIZBRXHEGB-GOSISDBHSA-N 2 1 290.451 2.601 40 0 CFABMP CC(C)[N@H+](Cc1ccccc1)C[C@H]1CCCN(CC[NH3+])C1 ZINC000079414688 177484111 /nfs/dbraw/zinc/48/41/11/177484111.db2.gz ZHEPEYQXBQEILI-SFHVURJKSA-N 2 1 289.467 2.568 40 0 CFABMP Cc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000235878585 348230197 /nfs/dbraw/zinc/23/01/97/348230197.db2.gz CUZXLGLJDCIRBF-GFCCVEGCSA-N 2 1 252.789 2.819 40 0 CFABMP Cc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(Cl)c1 ZINC000235878585 348230201 /nfs/dbraw/zinc/23/02/01/348230201.db2.gz CUZXLGLJDCIRBF-GFCCVEGCSA-N 2 1 252.789 2.819 40 0 CFABMP C(C[N@H+]1CC[C@@H]2CCCC[C@H]2C1)[C@@H]1CCC[NH2+]C1 ZINC000051919062 373417673 /nfs/dbraw/zinc/41/76/73/373417673.db2.gz MCSZLRUACZVXNF-JYJNAYRXSA-N 2 1 250.430 2.888 40 0 CFABMP COc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000063527656 373809156 /nfs/dbraw/zinc/80/91/56/373809156.db2.gz JDFVAHRZXQDXAO-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000063527656 373809163 /nfs/dbraw/zinc/80/91/63/373809163.db2.gz JDFVAHRZXQDXAO-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000063527656 373809166 /nfs/dbraw/zinc/80/91/66/373809166.db2.gz JDFVAHRZXQDXAO-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP COc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000063527656 373809174 /nfs/dbraw/zinc/80/91/74/373809174.db2.gz JDFVAHRZXQDXAO-QGZVFWFLSA-N 2 1 274.408 2.613 40 0 CFABMP C[NH2+]CCCNc1cc(C)[nH+]c2c(OC)cc(OC)cc12 ZINC000222691243 130791322 /nfs/dbraw/zinc/79/13/22/130791322.db2.gz HSKIIRCIYDAGII-UHFFFAOYSA-N 2 1 289.379 2.582 40 0 CFABMP CCCc1nc(NCCCCCC[NH3+])cc(C)[nH+]1 ZINC000008731069 170351347 /nfs/dbraw/zinc/35/13/47/170351347.db2.gz JSKKFBNPXAHZJQ-UHFFFAOYSA-N 2 1 250.390 2.669 40 0 CFABMP