smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000708329577 1018841078 /nfs/dbraw/zinc/84/10/78/1018841078.db2.gz DRODNPVHMHMHBG-CABZTGNLSA-N 0 2 304.217 3.698 20 10 DHCDLN CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000708329577 1018841091 /nfs/dbraw/zinc/84/10/91/1018841091.db2.gz DRODNPVHMHMHBG-CABZTGNLSA-N 0 2 304.217 3.698 20 10 DHCDLN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C)O1 ZINC000708329575 1018841984 /nfs/dbraw/zinc/84/19/84/1018841984.db2.gz DRODNPVHMHMHBG-BXKDBHETSA-N 0 2 304.217 3.698 20 10 DHCDLN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@@H](C)O1 ZINC000708329575 1018842004 /nfs/dbraw/zinc/84/20/04/1018842004.db2.gz DRODNPVHMHMHBG-BXKDBHETSA-N 0 2 304.217 3.698 20 10 DHCDLN COc1cc(NCc2cc([N+](=O)[O-])ccc2O)c(C)cc1C ZINC000793390270 1025032775 /nfs/dbraw/zinc/03/27/75/1025032775.db2.gz OBGXQXJZSXHXQN-UHFFFAOYSA-N 0 2 302.330 3.538 20 10 DHCDLN CCn1ccnc1[C@H]1CCCCN1Cc1ccc(F)c(F)c1O ZINC000877493554 1033322712 /nfs/dbraw/zinc/32/27/12/1033322712.db2.gz FRIWJRWZMAZZMA-CQSZACIVSA-N 0 2 321.371 3.614 20 10 DHCDLN CCCC[C@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)OC ZINC000775978290 1037268762 /nfs/dbraw/zinc/26/87/62/1037268762.db2.gz FKJPNHMRTDLYMJ-LBPRGKRZSA-N 0 2 320.216 3.520 20 10 DHCDLN COc1ccc2c(c1)C[C@H](C(C)C)C[N@H+]2CCC(C)(C)C(=O)[O-] ZINC001599627501 994169865 /nfs/dbraw/zinc/16/98/65/994169865.db2.gz YUXREFFLKKBCQC-HNNXBMFYSA-N 0 2 319.445 3.831 20 10 DHCDLN COc1ccc2c(c1)C[C@H](C(C)C)C[N@@H+]2CCC(C)(C)C(=O)[O-] ZINC001599627501 994169868 /nfs/dbraw/zinc/16/98/68/994169868.db2.gz YUXREFFLKKBCQC-HNNXBMFYSA-N 0 2 319.445 3.831 20 10 DHCDLN CC[C@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131480655 1024360423 /nfs/dbraw/zinc/36/04/23/1024360423.db2.gz BUXHTFIXWCCRGZ-SKDRFNHKSA-N 0 2 304.217 3.698 20 10 DHCDLN CC[C@H]1CO[C@H](C)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131480655 1024360438 /nfs/dbraw/zinc/36/04/38/1024360438.db2.gz BUXHTFIXWCCRGZ-SKDRFNHKSA-N 0 2 304.217 3.698 20 10 DHCDLN CCn1ccc(CN(C)Cc2cc(Cl)cc(C(C)=O)c2O)c1 ZINC000792313696 1024661566 /nfs/dbraw/zinc/66/15/66/1024661566.db2.gz NDDNTNGHYXGUSY-UHFFFAOYSA-N 0 2 320.820 3.702 20 10 DHCDLN CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000816515135 1028920485 /nfs/dbraw/zinc/92/04/85/1028920485.db2.gz QIXJSPKRWRHLHQ-MAUKXSAKSA-N 0 2 312.457 3.850 20 10 DHCDLN CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3ccccc3c2O)C[C@@H]1C ZINC000816515135 1028920501 /nfs/dbraw/zinc/92/05/01/1028920501.db2.gz QIXJSPKRWRHLHQ-MAUKXSAKSA-N 0 2 312.457 3.850 20 10 DHCDLN Cc1cc(NS(=O)(=O)c2cc3ccccc3s2)ccc1O ZINC001185453795 1037147795 /nfs/dbraw/zinc/14/77/95/1037147795.db2.gz DHFQLDHNLWWZJD-UHFFFAOYSA-N 0 2 319.407 3.716 20 10 DHCDLN COc1cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)ccc1F ZINC000783306792 1039249233 /nfs/dbraw/zinc/24/92/33/1039249233.db2.gz MLASHDJZLHIUSX-VIFPVBQESA-N 0 2 306.293 3.621 20 10 DHCDLN C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000273533106 130134165 /nfs/dbraw/zinc/13/41/65/130134165.db2.gz WSULCIBMSJGNGT-SNVBAGLBSA-N 0 2 315.244 3.612 20 10 DHCDLN CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000192692052 333291477 /nfs/dbraw/zinc/29/14/77/333291477.db2.gz RHBVVYPMMXAXKU-WDEREUQCSA-N 0 2 317.260 3.691 20 10 DHCDLN C[C@H](Nc1ccccc1OCCF)c1cc([N+](=O)[O-])ccc1O ZINC000296245552 335142494 /nfs/dbraw/zinc/14/24/94/335142494.db2.gz AYPRKHHGFSDGMQ-NSHDSACASA-N 0 2 320.320 3.822 20 10 DHCDLN C[N@@H+](CCC[NH2+]Cc1cc(Cl)ccc1O)Cc1ccccc1 ZINC000237081019 1026310209 /nfs/dbraw/zinc/31/02/09/1026310209.db2.gz ZQVKDXABIWKDLU-UHFFFAOYSA-N 0 2 318.848 3.657 20 10 DHCDLN C[C@@H](Nc1cnn([C@@H](C)C2CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000779057650 1028094446 /nfs/dbraw/zinc/09/44/46/1028094446.db2.gz UQIOZHNJNNNHGS-MNOVXSKESA-N 0 2 316.361 3.641 20 10 DHCDLN C[NH+]1CCC[C@H]1C[C@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527474 1031910113 /nfs/dbraw/zinc/91/01/13/1031910113.db2.gz WAHDDBYPNQXKQI-LSDHHAIUSA-N 0 2 324.415 3.509 20 10 DHCDLN Cc1nc2c(o1)CCN(Cc1cc(Cl)cc(Cl)c1O)C2 ZINC001203585284 1036788242 /nfs/dbraw/zinc/78/82/42/1036788242.db2.gz GFGQKLXIKORYNO-UHFFFAOYSA-N 0 2 313.184 3.554 20 10 DHCDLN O=S(=O)(Nc1nc(-c2cccs2)cs1)c1ccccc1 ZINC000004433444 181109744 /nfs/dbraw/zinc/10/97/44/181109744.db2.gz ZMJAWTADBBEXMZ-UHFFFAOYSA-N 0 2 322.436 3.672 20 10 DHCDLN CC[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131480867 1024369680 /nfs/dbraw/zinc/36/96/80/1024369680.db2.gz BUXHTFIXWCCRGZ-JOYOIKCWSA-N 0 2 304.217 3.698 20 10 DHCDLN CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131480867 1024369698 /nfs/dbraw/zinc/36/96/98/1024369698.db2.gz BUXHTFIXWCCRGZ-JOYOIKCWSA-N 0 2 304.217 3.698 20 10 DHCDLN COc1ccccc1C[N@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792156471 1024636628 /nfs/dbraw/zinc/63/66/28/1024636628.db2.gz HHVLQBXULHAJCN-UHFFFAOYSA-N 0 2 309.768 3.825 20 10 DHCDLN COc1ccccc1C[N@@H+](C)Cc1c([O-])ccc(Cl)c1F ZINC000792156471 1024636633 /nfs/dbraw/zinc/63/66/33/1024636633.db2.gz HHVLQBXULHAJCN-UHFFFAOYSA-N 0 2 309.768 3.825 20 10 DHCDLN Oc1ccc(Cl)c(F)c1CN1CCN(c2ccccc2)CC1 ZINC000792156426 1024637052 /nfs/dbraw/zinc/63/70/52/1024637052.db2.gz DWSHVXKETJFYRL-UHFFFAOYSA-N 0 2 320.795 3.507 20 10 DHCDLN CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000816515136 1028919272 /nfs/dbraw/zinc/91/92/72/1028919272.db2.gz QIXJSPKRWRHLHQ-QAPCUYQASA-N 0 2 312.457 3.850 20 10 DHCDLN CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000816515136 1028919278 /nfs/dbraw/zinc/91/92/78/1028919278.db2.gz QIXJSPKRWRHLHQ-QAPCUYQASA-N 0 2 312.457 3.850 20 10 DHCDLN CC[N@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)c([O-])cc1F ZINC001144659914 1031817680 /nfs/dbraw/zinc/81/76/80/1031817680.db2.gz QVUHGTYXWPLLSY-UHFFFAOYSA-N 0 2 320.383 3.759 20 10 DHCDLN CC[N@@H+](Cc1ccc(N(C)C)cc1)Cc1cc(F)c([O-])cc1F ZINC001144659914 1031817692 /nfs/dbraw/zinc/81/76/92/1031817692.db2.gz QVUHGTYXWPLLSY-UHFFFAOYSA-N 0 2 320.383 3.759 20 10 DHCDLN [O-]c1c(Cl)cc(Cl)cc1C[N@@H+]1CCc2ccncc2C1 ZINC001203579836 1036716105 /nfs/dbraw/zinc/71/61/05/1036716105.db2.gz GJFYHCWHUHELCQ-UHFFFAOYSA-N 0 2 309.196 3.652 20 10 DHCDLN [O-]c1c(Cl)cc(Cl)cc1C[N@H+]1CCc2ccncc2C1 ZINC001203579836 1036716110 /nfs/dbraw/zinc/71/61/10/1036716110.db2.gz GJFYHCWHUHELCQ-UHFFFAOYSA-N 0 2 309.196 3.652 20 10 DHCDLN C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2ccccc2c1O ZINC000273303143 1022534556 /nfs/dbraw/zinc/53/45/56/1022534556.db2.gz CDBBVWRHUOEGFW-KYNGSXCRSA-N 0 2 310.441 3.823 20 10 DHCDLN COc1cc(F)ccc1N[C@@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756792651 1023858743 /nfs/dbraw/zinc/85/87/43/1023858743.db2.gz OHYXEADZRSTDEO-VIFPVBQESA-N 0 2 306.293 3.621 20 10 DHCDLN CC(C)(C)[NH+]1CCC([NH2+]Cc2cc(Cl)c(F)cc2O)CC1 ZINC000294336136 1031942473 /nfs/dbraw/zinc/94/24/73/1031942473.db2.gz RVLQSCDKUHVVGG-UHFFFAOYSA-N 0 2 314.832 3.537 20 10 DHCDLN CCCC[C@@H](NCc1cc(Cl)cc(Cl)c1O)C(=O)OC ZINC000775978288 1037270660 /nfs/dbraw/zinc/27/06/60/1037270660.db2.gz FKJPNHMRTDLYMJ-GFCCVEGCSA-N 0 2 320.216 3.520 20 10 DHCDLN COc1ccc([N@H+](CCCC(=O)[O-])CCc2ccccc2)cc1 ZINC001599584678 993597307 /nfs/dbraw/zinc/59/73/07/993597307.db2.gz RPRGQDLQVQWRFM-UHFFFAOYSA-N 0 2 313.397 3.609 20 10 DHCDLN COc1ccc([N@@H+](CCCC(=O)[O-])CCc2ccccc2)cc1 ZINC001599584678 993597313 /nfs/dbraw/zinc/59/73/13/993597313.db2.gz RPRGQDLQVQWRFM-UHFFFAOYSA-N 0 2 313.397 3.609 20 10 DHCDLN CN(Cc1cc(Cl)cc(Br)c1O)CC(F)F ZINC000708133110 1017664665 /nfs/dbraw/zinc/66/46/65/1017664665.db2.gz HLIJNUFRQLCXRI-UHFFFAOYSA-N 0 2 314.557 3.505 20 10 DHCDLN C[C@@H](Nc1ccc2ccn(C)c2c1)c1cc([N+](=O)[O-])ccc1O ZINC000785569274 1023595742 /nfs/dbraw/zinc/59/57/42/1023595742.db2.gz DASLSFUEWQXLMS-LLVKDONJSA-N 0 2 311.341 3.965 20 10 DHCDLN CC[C@]1(C)C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000785984110 1023648590 /nfs/dbraw/zinc/64/85/90/1023648590.db2.gz DWVKGVFFPZREBP-CQSZACIVSA-N 0 2 304.217 3.700 20 10 DHCDLN CC[C@]1(C)C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000785984110 1023648595 /nfs/dbraw/zinc/64/85/95/1023648595.db2.gz DWVKGVFFPZREBP-CQSZACIVSA-N 0 2 304.217 3.700 20 10 DHCDLN [O-]c1c(Cl)cc(Cl)cc1CNc1[nH+]cnc2[nH]ccc21 ZINC000808090159 1026202391 /nfs/dbraw/zinc/20/23/91/1026202391.db2.gz RGRDGDSGIZSBTC-UHFFFAOYSA-N 0 2 309.156 3.582 20 10 DHCDLN Oc1c(Cl)cc(Cl)cc1CN1CC(C(F)(F)F)C1 ZINC000864049734 1034278983 /nfs/dbraw/zinc/27/89/83/1034278983.db2.gz ZWAQNZYRUZFQPR-UHFFFAOYSA-N 0 2 300.107 3.693 20 10 DHCDLN CC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000708329581 1018842925 /nfs/dbraw/zinc/84/29/25/1018842925.db2.gz DRODNPVHMHMHBG-JOYOIKCWSA-N 0 2 304.217 3.698 20 10 DHCDLN CC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])C[C@H](C)O1 ZINC000708329581 1018842942 /nfs/dbraw/zinc/84/29/42/1018842942.db2.gz DRODNPVHMHMHBG-JOYOIKCWSA-N 0 2 304.217 3.698 20 10 DHCDLN CC[C@H](NCc1nnc(C2CC2)s1)c1ccc(F)cc1O ZINC000840892404 1017415512 /nfs/dbraw/zinc/41/55/12/1017415512.db2.gz ZPTWUFNMWCJIOG-LBPRGKRZSA-N 0 2 307.394 3.501 20 10 DHCDLN C[C@H]1[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCOC1(C)C ZINC000687952668 1028769295 /nfs/dbraw/zinc/76/92/95/1028769295.db2.gz IBVRLKSLAQRXIU-SECBINFHSA-N 0 2 304.217 3.698 20 10 DHCDLN C[C@H]1[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCOC1(C)C ZINC000687952668 1028769313 /nfs/dbraw/zinc/76/93/13/1028769313.db2.gz IBVRLKSLAQRXIU-SECBINFHSA-N 0 2 304.217 3.698 20 10 DHCDLN O=S(=O)(Nc1cc(Cl)c(O)cc1Cl)c1cccs1 ZINC001250916174 1036371118 /nfs/dbraw/zinc/37/11/18/1036371118.db2.gz RRQKKWJKLCRFIW-UHFFFAOYSA-N 0 2 324.210 3.561 20 10 DHCDLN Oc1c(F)c(F)ccc1CN1CCc2sc(Cl)cc2C1 ZINC001182575293 1036389991 /nfs/dbraw/zinc/38/99/91/1036389991.db2.gz YNEUURDBTNSILU-UHFFFAOYSA-N 0 2 315.772 3.944 20 10 DHCDLN Oc1c(F)cc(F)cc1CNCc1c(F)c(F)cc(F)c1F ZINC001200932983 1037469015 /nfs/dbraw/zinc/46/90/15/1037469015.db2.gz SKGOLDQVDSFYHM-UHFFFAOYSA-N 0 2 321.220 3.517 20 10 DHCDLN CC[C@@H](C)n1ncc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1C ZINC000790741286 1024368894 /nfs/dbraw/zinc/36/88/94/1024368894.db2.gz GAVPZAXKHWFYSA-GHMZBOCLSA-N 0 2 318.377 3.949 20 10 DHCDLN C[C@H](Nc1cnn([C@@H](C)C2CC2)c1)c1cc([N+](=O)[O-])ccc1O ZINC000779057652 1028096780 /nfs/dbraw/zinc/09/67/80/1028096780.db2.gz UQIOZHNJNNNHGS-QWRGUYRKSA-N 0 2 316.361 3.641 20 10 DHCDLN CCCOc1cc(F)ccc1NCc1cc([N+](=O)[O-])ccc1O ZINC001178148762 1035411500 /nfs/dbraw/zinc/41/15/00/1035411500.db2.gz RTJPHGQURDAONQ-UHFFFAOYSA-N 0 2 320.320 3.840 20 10 DHCDLN CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Cl)c(Cl)cc2O)C1 ZINC000192692065 333291557 /nfs/dbraw/zinc/29/15/57/333291557.db2.gz RHBVVYPMMXAXKU-QWRGUYRKSA-N 0 2 317.260 3.691 20 10 DHCDLN CC[C@H]1CCCC[C@H]1C[N@H+](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595442296 981082295 /nfs/dbraw/zinc/08/22/95/981082295.db2.gz YPLMXJQPESDXGK-GJZGRUSLSA-N 0 2 305.418 3.803 20 10 DHCDLN CC[C@H]1CCCC[C@H]1C[N@@H+](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595442296 981082299 /nfs/dbraw/zinc/08/22/99/981082299.db2.gz YPLMXJQPESDXGK-GJZGRUSLSA-N 0 2 305.418 3.803 20 10 DHCDLN CC[C@]1(C)COCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000687975528 1028813736 /nfs/dbraw/zinc/81/37/36/1028813736.db2.gz RFHBVNGGVOICDS-CQSZACIVSA-N 0 2 304.217 3.700 20 10 DHCDLN CC[C@]1(C)COCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000687975528 1028813753 /nfs/dbraw/zinc/81/37/53/1028813753.db2.gz RFHBVNGGVOICDS-CQSZACIVSA-N 0 2 304.217 3.700 20 10 DHCDLN C[C@@H]([NH2+]Cc1ncc(Cl)s1)c1cc(F)cc(F)c1[O-] ZINC000872117032 1031510808 /nfs/dbraw/zinc/51/08/08/1031510808.db2.gz XFCFPVZDJIWVBQ-ZCFIWIBFSA-N 0 2 304.749 3.631 20 10 DHCDLN COc1cc(Cl)ccc1NCc1cc([N+](=O)[O-])ccc1O ZINC000775345877 1038261196 /nfs/dbraw/zinc/26/11/96/1038261196.db2.gz RCMYJMIZUVYGSV-UHFFFAOYSA-N 0 2 308.721 3.575 20 10 DHCDLN CCC[C@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000709005368 1018843094 /nfs/dbraw/zinc/84/30/94/1018843094.db2.gz BPZIXRQEDUQSBR-LBPRGKRZSA-N 0 2 304.217 3.700 20 10 DHCDLN CCC[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000709005368 1018843113 /nfs/dbraw/zinc/84/31/13/1018843113.db2.gz BPZIXRQEDUQSBR-LBPRGKRZSA-N 0 2 304.217 3.700 20 10 DHCDLN CCC[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000709005368 1018843129 /nfs/dbraw/zinc/84/31/29/1018843129.db2.gz BPZIXRQEDUQSBR-LBPRGKRZSA-N 0 2 304.217 3.700 20 10 DHCDLN CC(C)c1nc(CN(C)Cc2c(O)cc(F)cc2F)cs1 ZINC001140583506 1017153362 /nfs/dbraw/zinc/15/33/62/1017153362.db2.gz IZBVVUIWXDCZST-UHFFFAOYSA-N 0 2 312.385 3.882 20 10 DHCDLN CCn1ccnc1[C@@H]1CCCCN1Cc1ccc(F)c(F)c1O ZINC000877493551 1033322289 /nfs/dbraw/zinc/32/22/89/1033322289.db2.gz FRIWJRWZMAZZMA-AWEZNQCLSA-N 0 2 321.371 3.614 20 10 DHCDLN C[C@@H](c1ccccc1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1O ZINC000176682833 1034103325 /nfs/dbraw/zinc/10/33/25/1034103325.db2.gz TXUJALHWVQABOV-KRWDZBQOSA-N 0 2 321.424 3.852 20 10 DHCDLN C[C@@H](c1ccccc1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1O ZINC000176682833 1034103327 /nfs/dbraw/zinc/10/33/27/1034103327.db2.gz TXUJALHWVQABOV-KRWDZBQOSA-N 0 2 321.424 3.852 20 10 DHCDLN C[C@H](Nc1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273429650 130120894 /nfs/dbraw/zinc/12/08/94/130120894.db2.gz KVEDYIBMXJFMIS-NSHDSACASA-N 0 2 301.346 3.540 20 10 DHCDLN CC[C@@H](NCc1nnc(C2CC2)s1)c1ccc(F)cc1O ZINC000840892403 1017416059 /nfs/dbraw/zinc/41/60/59/1017416059.db2.gz ZPTWUFNMWCJIOG-GFCCVEGCSA-N 0 2 307.394 3.501 20 10 DHCDLN COc1ccc(F)cc1N[C@H](C)c1cc([N+](=O)[O-])ccc1O ZINC000756858749 1024208640 /nfs/dbraw/zinc/20/86/40/1024208640.db2.gz WDXFSELCJBQSGC-SECBINFHSA-N 0 2 306.293 3.621 20 10 DHCDLN Cc1cc(C[N@@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])no1 ZINC000092254390 193181155 /nfs/dbraw/zinc/18/11/55/193181155.db2.gz ISMLCKLUEMDILG-UHFFFAOYSA-N 0 2 301.173 3.627 20 10 DHCDLN Cc1cc(C[N@H+](C)Cc2cc(Cl)cc(Cl)c2[O-])no1 ZINC000092254390 193181157 /nfs/dbraw/zinc/18/11/57/193181157.db2.gz ISMLCKLUEMDILG-UHFFFAOYSA-N 0 2 301.173 3.627 20 10 DHCDLN CC[C@@H](c1ccccc1O)[N@@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000367295578 1028159017 /nfs/dbraw/zinc/15/90/17/1028159017.db2.gz QPQKIXCQXUUHDY-RDJZCZTQSA-N 0 2 311.429 3.672 20 10 DHCDLN CC[C@@H](c1ccccc1O)[N@H+]1CC[C@@H](CNc2cccc[nH+]2)C1 ZINC000367295578 1028159026 /nfs/dbraw/zinc/15/90/26/1028159026.db2.gz QPQKIXCQXUUHDY-RDJZCZTQSA-N 0 2 311.429 3.672 20 10 DHCDLN CC(C)Oc1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1 ZINC000824726062 1030623246 /nfs/dbraw/zinc/62/32/46/1030623246.db2.gz GEGALDSQDXFQKL-UHFFFAOYSA-N 0 2 302.330 3.700 20 10 DHCDLN CC[N@H+](Cc1cc(F)c(F)cc1[O-])Cc1cccc(F)c1F ZINC001142530315 1031946505 /nfs/dbraw/zinc/94/65/05/1031946505.db2.gz CRNMRKZNSNRAKK-UHFFFAOYSA-N 0 2 313.294 3.971 20 10 DHCDLN CC[N@@H+](Cc1cc(F)c(F)cc1[O-])Cc1cccc(F)c1F ZINC001142530315 1031946514 /nfs/dbraw/zinc/94/65/14/1031946514.db2.gz CRNMRKZNSNRAKK-UHFFFAOYSA-N 0 2 313.294 3.971 20 10 DHCDLN CCN(Cc1cc(F)c(F)cc1O)Cc1cccc(F)c1F ZINC001142530315 1031946524 /nfs/dbraw/zinc/94/65/24/1031946524.db2.gz CRNMRKZNSNRAKK-UHFFFAOYSA-N 0 2 313.294 3.971 20 10 DHCDLN C[C@@H](Nc1cc(F)cc(N(C)C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000864024927 1034263140 /nfs/dbraw/zinc/26/31/40/1034263140.db2.gz 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CC[C@@H]1CCCC[C@H]1C[N@@H+](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595442294 981082048 /nfs/dbraw/zinc/08/20/48/981082048.db2.gz YPLMXJQPESDXGK-CABCVRRESA-N 0 2 305.418 3.803 20 10 DHCDLN Oc1c(Br)cc(Cl)cc1CN1CCC[C@H](F)C1 ZINC000708075233 1016996649 /nfs/dbraw/zinc/99/66/49/1016996649.db2.gz KLGRKJZDSVLZJG-JTQLQIEISA-N 0 2 322.605 3.742 20 10 DHCDLN Oc1ccc(Cl)cc1C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000362375125 1027168358 /nfs/dbraw/zinc/16/83/58/1027168358.db2.gz AOZAGUCVRKYHDZ-UHFFFAOYSA-N 0 2 308.853 3.542 20 10 DHCDLN CC[C@H](c1ccccc1O)[N@@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000367295577 1028160739 /nfs/dbraw/zinc/16/07/39/1028160739.db2.gz QPQKIXCQXUUHDY-NVXWUHKLSA-N 0 2 311.429 3.672 20 10 DHCDLN CC[C@H](c1ccccc1O)[N@H+]1CC[C@H](CNc2cccc[nH+]2)C1 ZINC000367295577 1028160751 /nfs/dbraw/zinc/16/07/51/1028160751.db2.gz QPQKIXCQXUUHDY-NVXWUHKLSA-N 0 2 311.429 3.672 20 10 DHCDLN Oc1ccc(-c2ccccc2)cc1C[N@@H+]1CCCc2[nH]ncc2C1 ZINC000828013769 1029813695 /nfs/dbraw/zinc/81/36/95/1029813695.db2.gz 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C[N@@H+](Cc1cscn1)Cc1cc(Cl)cc(Cl)c1[O-] ZINC000120234660 1017719451 /nfs/dbraw/zinc/71/94/51/1017719451.db2.gz BIISUDXVBGDUGV-UHFFFAOYSA-N 0 2 303.214 3.788 20 10 DHCDLN CN(Cc1cscn1)Cc1cc(Cl)cc(Cl)c1O ZINC000120234660 1017719466 /nfs/dbraw/zinc/71/94/66/1017719466.db2.gz BIISUDXVBGDUGV-UHFFFAOYSA-N 0 2 303.214 3.788 20 10 DHCDLN COc1cc(C)cc(NCc2cc([N+](=O)[O-])ccc2O)c1C ZINC000785545822 1023589073 /nfs/dbraw/zinc/58/90/73/1023589073.db2.gz WXRKJRTWJWBDAE-UHFFFAOYSA-N 0 2 302.330 3.538 20 10 DHCDLN CC[C@H](C)n1ncc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1C ZINC000790741289 1024368529 /nfs/dbraw/zinc/36/85/29/1024368529.db2.gz GAVPZAXKHWFYSA-QWRGUYRKSA-N 0 2 318.377 3.949 20 10 DHCDLN COc1cc(C)c(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1F ZINC000775562458 1035559525 /nfs/dbraw/zinc/55/95/25/1035559525.db2.gz GPEBYPHIUMXVKP-JTQLQIEISA-N 0 2 320.320 3.930 20 10 DHCDLN CCC[C@@](C)(NCc1cc(Cl)cc(Cl)c1O)C(=O)OC ZINC000762789041 1036940406 /nfs/dbraw/zinc/94/04/06/1036940406.db2.gz FWBNGKSAINAYDS-CQSZACIVSA-N 0 2 320.216 3.520 20 10 DHCDLN CC(C)(C)CC[C@H]([NH2+]Cc1cc(Cl)cc(F)c1O)C(=O)[O-] ZINC000840998461 955587819 /nfs/dbraw/zinc/58/78/19/955587819.db2.gz CWWRBHONQSPXLW-LBPRGKRZSA-N 0 2 317.788 3.554 20 10 DHCDLN CC[C@H]1CCCC[C@@H]1C[N@H+](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595442300 981081975 /nfs/dbraw/zinc/08/19/75/981081975.db2.gz YPLMXJQPESDXGK-LSDHHAIUSA-N 0 2 305.418 3.803 20 10 DHCDLN CC[C@H]1CCCC[C@@H]1C[N@@H+](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595442300 981081982 /nfs/dbraw/zinc/08/19/82/981081982.db2.gz YPLMXJQPESDXGK-LSDHHAIUSA-N 0 2 305.418 3.803 20 10 DHCDLN O=S(=O)(Nc1ccc(O)cc1)c1cc(Cl)sc1Cl ZINC000037374721 1032705293 /nfs/dbraw/zinc/70/52/93/1032705293.db2.gz JNMPNYQSCYRDBF-UHFFFAOYSA-N 0 2 324.210 3.561 20 10 DHCDLN Cc1ccc(-c2noc(-c3cc(O)[nH]c(=O)c3)n2)c2ccccc12 ZINC001212565423 1018495107 /nfs/dbraw/zinc/49/51/07/1018495107.db2.gz PLWHIFGLVDKCCO-UHFFFAOYSA-N 0 2 319.320 3.671 20 10 DHCDLN CC(C)[C@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000709026609 1018840986 /nfs/dbraw/zinc/84/09/86/1018840986.db2.gz HSNFPEGKLAUAON-CYBMUJFWSA-N 0 2 304.217 3.556 20 10 DHCDLN CC(C)[C@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000709026609 1018841000 /nfs/dbraw/zinc/84/10/00/1018841000.db2.gz HSNFPEGKLAUAON-CYBMUJFWSA-N 0 2 304.217 3.556 20 10 DHCDLN CC1(C)C[N@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1c1cccnc1 ZINC000877545040 1033349554 /nfs/dbraw/zinc/34/95/54/1033349554.db2.gz FEDVXGMOOPZOJK-INIZCTEOSA-N 0 2 304.340 3.649 20 10 DHCDLN CC1(C)C[N@@H+](Cc2ccc(F)c(F)c2[O-])[C@H]1c1cccnc1 ZINC000877545040 1033349563 /nfs/dbraw/zinc/34/95/63/1033349563.db2.gz FEDVXGMOOPZOJK-INIZCTEOSA-N 0 2 304.340 3.649 20 10 DHCDLN C[C@H](c1ccccc1)[N@H+](CCn1cc[nH+]c1)Cc1ccccc1O ZINC000176682850 1034103395 /nfs/dbraw/zinc/10/33/95/1034103395.db2.gz TXUJALHWVQABOV-QGZVFWFLSA-N 0 2 321.424 3.852 20 10 DHCDLN C[C@H](c1ccccc1)[N@@H+](CCn1cc[nH+]c1)Cc1ccccc1O ZINC000176682850 1034103397 /nfs/dbraw/zinc/10/33/97/1034103397.db2.gz TXUJALHWVQABOV-QGZVFWFLSA-N 0 2 321.424 3.852 20 10 DHCDLN CSc1cccc(NCc2cc([N+](=O)[O-])ccc2O)c1C ZINC000774830407 1037026187 /nfs/dbraw/zinc/02/61/87/1037026187.db2.gz CLZGKDFUJHMKSY-UHFFFAOYSA-N 0 2 304.371 3.943 20 10 DHCDLN Oc1c(Br)cc(Cl)cc1CN1CCC[C@@H](F)C1 ZINC000708075234 1016996357 /nfs/dbraw/zinc/99/63/57/1016996357.db2.gz KLGRKJZDSVLZJG-SNVBAGLBSA-N 0 2 322.605 3.742 20 10 DHCDLN Cc1cc(S(=O)(=O)Nc2ccc(O)c(Cl)c2)sc1C ZINC000776748751 1022497509 /nfs/dbraw/zinc/49/75/09/1022497509.db2.gz FOLBIESVHIXUBD-UHFFFAOYSA-N 0 2 317.819 3.525 20 10 DHCDLN C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ccc(Cl)c(Cl)c1O ZINC000273533102 130133748 /nfs/dbraw/zinc/13/37/48/130133748.db2.gz WSULCIBMSJGNGT-JTQLQIEISA-N 0 2 315.244 3.612 20 10 DHCDLN C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2ccccc2c1O ZINC000273303139 1022534967 /nfs/dbraw/zinc/53/49/67/1022534967.db2.gz CDBBVWRHUOEGFW-JVPBZIDWSA-N 0 2 310.441 3.823 20 10 DHCDLN CC[C@@H]1CO[C@H](C)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131480444 1024359085 /nfs/dbraw/zinc/35/90/85/1024359085.db2.gz BUXHTFIXWCCRGZ-BXKDBHETSA-N 0 2 304.217 3.698 20 10 DHCDLN CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131480444 1024359100 /nfs/dbraw/zinc/35/91/00/1024359100.db2.gz BUXHTFIXWCCRGZ-BXKDBHETSA-N 0 2 304.217 3.698 20 10 DHCDLN COCc1ccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000774487734 1036358808 /nfs/dbraw/zinc/35/88/08/1036358808.db2.gz XOENKOMSWKNSLC-LLVKDONJSA-N 0 2 302.330 3.620 20 10 DHCDLN CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000816515134 1028919016 /nfs/dbraw/zinc/91/90/16/1028919016.db2.gz QIXJSPKRWRHLHQ-CRAIPNDOSA-N 0 2 312.457 3.850 20 10 DHCDLN CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3ccccc3c2O)C[C@H]1C ZINC000816515134 1028919030 /nfs/dbraw/zinc/91/90/30/1028919030.db2.gz QIXJSPKRWRHLHQ-CRAIPNDOSA-N 0 2 312.457 3.850 20 10 DHCDLN C[NH+]1CCC[C@H]1C[C@@H]1CCCC[N@H+]1Cc1cc(F)c(F)cc1[O-] ZINC001142527473 1031910388 /nfs/dbraw/zinc/91/03/88/1031910388.db2.gz WAHDDBYPNQXKQI-GJZGRUSLSA-N 0 2 324.415 3.509 20 10 DHCDLN C[C@H](Nc1cc(F)cc(N(C)C)c1)c1cc([N+](=O)[O-])ccc1O ZINC000864024926 1034262442 /nfs/dbraw/zinc/26/24/42/1034262442.db2.gz KUEFNXKQXXJUSC-JTQLQIEISA-N 0 2 319.336 3.679 20 10 DHCDLN COc1ccc2c(c1)C[C@@H](C(C)C)C[N@H+]2CCC(C)(C)C(=O)[O-] ZINC001599627503 994170059 /nfs/dbraw/zinc/17/00/59/994170059.db2.gz YUXREFFLKKBCQC-OAHLLOKOSA-N 0 2 319.445 3.831 20 10 DHCDLN COc1ccc2c(c1)C[C@@H](C(C)C)C[N@@H+]2CCC(C)(C)C(=O)[O-] ZINC001599627503 994170064 /nfs/dbraw/zinc/17/00/64/994170064.db2.gz YUXREFFLKKBCQC-OAHLLOKOSA-N 0 2 319.445 3.831 20 10 DHCDLN C[C@@H]1C[C@@H](F)CN1Cc1cc(Cl)cc(Br)c1O ZINC001141367950 1024075181 /nfs/dbraw/zinc/07/51/81/1024075181.db2.gz YCSZYSDKWUQPSG-GMSGAONNSA-N 0 2 322.605 3.740 20 10 DHCDLN Oc1c(Cl)cc(Cl)cc1CN1CCC[C@H]1c1ncccn1 ZINC001203584441 1036772349 /nfs/dbraw/zinc/77/23/49/1036772349.db2.gz AULHRPNFHXCINW-ZDUSSCGKSA-N 0 2 324.211 3.826 20 10 DHCDLN Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@H](F)C2)c1 ZINC001236664106 1023033681 /nfs/dbraw/zinc/03/36/81/1023033681.db2.gz 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CC[C@@]1(C)COCC[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000687975519 1028814316 /nfs/dbraw/zinc/81/43/16/1028814316.db2.gz RFHBVNGGVOICDS-AWEZNQCLSA-N 0 2 304.217 3.700 20 10 DHCDLN CC[C@@]1(C)COCC[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000687975519 1028814319 /nfs/dbraw/zinc/81/43/19/1028814319.db2.gz RFHBVNGGVOICDS-AWEZNQCLSA-N 0 2 304.217 3.700 20 10 DHCDLN CC[C@@H]1CCCC[C@@H]1C[N@H+](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595442298 981082225 /nfs/dbraw/zinc/08/22/25/981082225.db2.gz YPLMXJQPESDXGK-HUUCEWRRSA-N 0 2 305.418 3.803 20 10 DHCDLN CC[C@@H]1CCCC[C@@H]1C[N@@H+](C)c1ccc(OCC(=O)[O-])cc1 ZINC001595442298 981082230 /nfs/dbraw/zinc/08/22/30/981082230.db2.gz YPLMXJQPESDXGK-HUUCEWRRSA-N 0 2 305.418 3.803 20 10 DHCDLN CCCN(C)c1ccccc1NCc1cc([N+](=O)[O-])ccc1O ZINC000858316171 1032842812 /nfs/dbraw/zinc/84/28/12/1032842812.db2.gz MDORAILLNYAMLD-UHFFFAOYSA-N 0 2 315.373 3.759 20 10 DHCDLN Cc1ccccc1S(=O)(=O)Nc1nc(-c2ccco2)cs1 ZINC000727251592 1019670311 /nfs/dbraw/zinc/67/03/11/1019670311.db2.gz 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DHCDLN CCOc1cc(NCc2cc([N+](=O)[O-])ccc2O)ccc1C ZINC000770558737 1023322224 /nfs/dbraw/zinc/32/22/24/1023322224.db2.gz JKCPYMZBZDAHJX-UHFFFAOYSA-N 0 2 302.330 3.620 20 10 DHCDLN Cc1nnc(C[NH2+][C@H](C)c2cc(Cl)c(Cl)cc2O)s1 ZINC000774357131 1036313037 /nfs/dbraw/zinc/31/30/37/1036313037.db2.gz YZOOLCCHOQMCQR-ZCFIWIBFSA-N 0 2 318.229 3.710 20 10 DHCDLN CCC[C@@H]1CN(Cc2cc(Cl)cc(Cl)c2O)CCO1 ZINC000709005366 1018842071 /nfs/dbraw/zinc/84/20/71/1018842071.db2.gz BPZIXRQEDUQSBR-GFCCVEGCSA-N 0 2 304.217 3.700 20 10 DHCDLN CCC[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000709005366 1018842092 /nfs/dbraw/zinc/84/20/92/1018842092.db2.gz BPZIXRQEDUQSBR-GFCCVEGCSA-N 0 2 304.217 3.700 20 10 DHCDLN CCC[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000709005366 1018842104 /nfs/dbraw/zinc/84/21/04/1018842104.db2.gz BPZIXRQEDUQSBR-GFCCVEGCSA-N 0 2 304.217 3.700 20 10 DHCDLN CC[C@H]1CO[C@@H](C)C[N@@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131481051 1024369555 /nfs/dbraw/zinc/36/95/55/1024369555.db2.gz BUXHTFIXWCCRGZ-CABZTGNLSA-N 0 2 304.217 3.698 20 10 DHCDLN CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1cc(Cl)cc(Cl)c1[O-] ZINC000131481051 1024369571 /nfs/dbraw/zinc/36/95/71/1024369571.db2.gz BUXHTFIXWCCRGZ-CABZTGNLSA-N 0 2 304.217 3.698 20 10 DHCDLN COc1cc(Cl)c(NCc2cc([N+](=O)[O-])ccc2O)cc1C ZINC000808449151 1026289696 /nfs/dbraw/zinc/28/96/96/1026289696.db2.gz OHQXBADXQMIHDV-UHFFFAOYSA-N 0 2 322.748 3.883 20 10 DHCDLN O=C(Nc1cc(Cl)cc(Cl)c1O)C1=CC(=O)CS1 ZINC000760424659 1031709403 /nfs/dbraw/zinc/70/94/03/1031709403.db2.gz BVIFPTLPTJRPNC-UHFFFAOYSA-N 0 2 304.154 3.718 20 10 DHCDLN O=C(Nc1cccc(N2CCCC2)c1)c1cccc(Cl)c1O ZINC000775665066 1036296568 /nfs/dbraw/zinc/29/65/68/1036296568.db2.gz WDMBUJJKCXKPAB-UHFFFAOYSA-N 0 2 316.788 3.898 20 10 DHCDLN COCc1ccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cc1 ZINC000774487736 1036361329 /nfs/dbraw/zinc/36/13/29/1036361329.db2.gz XOENKOMSWKNSLC-NSHDSACASA-N 0 2 302.330 3.620 20 10 DHCDLN Cc1cc(O)ccc1NS(=O)(=O)c1cc2ccccc2s1 ZINC001185460771 1037147350 /nfs/dbraw/zinc/14/73/50/1037147350.db2.gz VKPZIEYCYXWCDC-UHFFFAOYSA-N 0 2 319.407 3.716 20 10 DHCDLN CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000709026612 1018842532 /nfs/dbraw/zinc/84/25/32/1018842532.db2.gz HSNFPEGKLAUAON-ZDUSSCGKSA-N 0 2 304.217 3.556 20 10 DHCDLN CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)cc(Cl)c2[O-])CCO1 ZINC000709026612 1018842548 /nfs/dbraw/zinc/84/25/48/1018842548.db2.gz HSNFPEGKLAUAON-ZDUSSCGKSA-N 0 2 304.217 3.556 20 10 DHCDLN Cc1cc(Br)c(O)c(C[N@H+]2CCCC[C@@H](F)C2)c1 ZINC001236664100 1023034451 /nfs/dbraw/zinc/03/44/51/1023034451.db2.gz SILYQMJQFBRSAY-GFCCVEGCSA-N 0 2 316.214 3.787 20 10 DHCDLN COc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1F ZINC000769984672 1023256000 /nfs/dbraw/zinc/25/60/00/1023256000.db2.gz KEPHGCHRZHPPLU-SECBINFHSA-N 0 2 306.293 3.621 20 10 DHCDLN C[C@H](C1CC1)n1cc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)cn1 ZINC000779057655 1028096298 /nfs/dbraw/zinc/09/62/98/1028096298.db2.gz UQIOZHNJNNNHGS-WDEREUQCSA-N 0 2 316.361 3.641 20 10 DHCDLN C[C@H]([NH2+]Cc1ncc(Cl)s1)c1cc(F)cc(F)c1[O-] ZINC000872117031 1031511091 /nfs/dbraw/zinc/51/10/91/1031511091.db2.gz XFCFPVZDJIWVBQ-LURJTMIESA-N 0 2 304.749 3.631 20 10 DHCDLN C[C@@H](Nc1ccc(N(C)C)cc1)c1cc([N+](=O)[O-])ccc1O ZINC000273429649 130120781 /nfs/dbraw/zinc/12/07/81/130120781.db2.gz KVEDYIBMXJFMIS-LLVKDONJSA-N 0 2 301.346 3.540 20 10 DHCDLN COCc1cccc(N[C@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273477767 130125816 /nfs/dbraw/zinc/12/58/16/130125816.db2.gz LCVKNYPWOWIWLS-LLVKDONJSA-N 0 2 302.330 3.620 20 10 DHCDLN COCc1cccc(N[C@@H](C)c2cc([N+](=O)[O-])ccc2O)c1 ZINC000273477770 130126450 /nfs/dbraw/zinc/12/64/50/130126450.db2.gz LCVKNYPWOWIWLS-NSHDSACASA-N 0 2 302.330 3.620 20 10 DHCDLN