smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCc1[nH+]c2cc(C(=O)[O-])ccc2n1[C@H](C)CS(C)(=O)=O ZINC000081905182 192336546 /nfs/dbraw/zinc/33/65/46/192336546.db2.gz KNXAAIIBZXXVDV-SECBINFHSA-N 0 2 310.375 1.903 10 0 DDAELN C[C@H](CS(C)(=O)=O)Nc1cc(C(=O)[O-])[nH+]c2ccccc12 ZINC000081904676 192336559 /nfs/dbraw/zinc/33/65/59/192336559.db2.gz LGYSAUKDBJXVNW-SECBINFHSA-N 0 2 308.359 1.778 10 0 DDAELN C[NH+]1CCN([C@@H](C(=O)[O-])c2ccc(OC(F)F)cc2)CC1 ZINC000088045261 185238116 /nfs/dbraw/zinc/23/81/16/185238116.db2.gz YGSRQCUQGAYGFS-GFCCVEGCSA-N 0 2 300.305 1.661 10 0 DDAELN O=C([O-])CN(C(=O)NCc1[nH]cc[nH+]1)c1cccc(Cl)c1 ZINC000083845280 192387019 /nfs/dbraw/zinc/38/70/19/192387019.db2.gz IYTKAHQCHWOMGK-UHFFFAOYSA-N 0 2 308.725 1.864 10 0 DDAELN COc1cc(NC(=O)c2nn(C)c(=O)[nH]2)c(OC)cc1Cl ZINC000074751302 191354771 /nfs/dbraw/zinc/35/47/71/191354771.db2.gz SGQWMSXVHGOYCB-UHFFFAOYSA-N 0 2 312.713 1.444 10 0 DDAELN Cc1ccc(O[C@H]2CCC[C@@H](S(C)(=O)=O)C2)c(C(=O)[O-])[nH+]1 ZINC000094637011 193387451 /nfs/dbraw/zinc/38/74/51/193387451.db2.gz VONOTRKCKPVUBZ-WDEREUQCSA-N 0 2 313.375 1.823 10 0 DDAELN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)Nc1ccc(Cl)cc1 ZINC000020019929 182179177 /nfs/dbraw/zinc/17/91/77/182179177.db2.gz SHDJQQTXQPMIDF-NSHDSACASA-N 0 2 308.725 1.881 10 0 DDAELN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)Nc1ccc(Cl)cc1 ZINC000020019929 182179178 /nfs/dbraw/zinc/17/91/78/182179178.db2.gz SHDJQQTXQPMIDF-NSHDSACASA-N 0 2 308.725 1.881 10 0 DDAELN CC[C@@H](C)Oc1ccccc1-c1ncc(-c2nn[nH]n2)c(=O)[nH]1 ZINC000039291392 183016594 /nfs/dbraw/zinc/01/65/94/183016594.db2.gz FXYFCHIWHHJQLC-SECBINFHSA-N 0 2 312.333 1.794 10 0 DDAELN NNc1ccccc1S(=O)(=O)Nc1nc2ccccc2[nH]1 ZINC000110538511 194337974 /nfs/dbraw/zinc/33/79/74/194337974.db2.gz LTTYCTLZGCOJOO-UHFFFAOYSA-N 0 2 303.347 1.649 10 0 DDAELN CC(C)n1cc(NS(=O)(=O)c2cccc(C(N)=S)c2)cn1 ZINC000061683826 184182099 /nfs/dbraw/zinc/18/20/99/184182099.db2.gz RFJRGVGZMLSPRT-UHFFFAOYSA-N 0 2 324.431 1.899 10 0 DDAELN C[N@H+](Cc1ccc(C(=O)[O-])cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000062752792 184252612 /nfs/dbraw/zinc/25/26/12/184252612.db2.gz PKQULJZSWMQETC-LLVKDONJSA-N 0 2 301.339 1.143 10 0 DDAELN C[N@@H+](Cc1ccc(C(=O)[O-])cc1F)[C@@H]1CCS(=O)(=O)C1 ZINC000062752792 184252613 /nfs/dbraw/zinc/25/26/13/184252613.db2.gz PKQULJZSWMQETC-LLVKDONJSA-N 0 2 301.339 1.143 10 0 DDAELN CC(C)Oc1ccccc1C[N@@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000066115265 184390572 /nfs/dbraw/zinc/39/05/72/184390572.db2.gz XDLBANSILKUYMH-ZDUSSCGKSA-N 0 2 306.362 1.249 10 0 DDAELN CC(C)Oc1ccccc1C[N@H+]1CCNC(=O)[C@@H]1CC(=O)[O-] ZINC000066115265 184390574 /nfs/dbraw/zinc/39/05/74/184390574.db2.gz XDLBANSILKUYMH-ZDUSSCGKSA-N 0 2 306.362 1.249 10 0 DDAELN Cc1ccc(OCCCCS(=O)(=O)c2nc(N)n[nH]2)cc1 ZINC000008015894 406775305 /nfs/dbraw/zinc/77/53/05/406775305.db2.gz GYEIKLMPSFKHSP-UHFFFAOYSA-N 0 2 310.379 1.328 10 0 DDAELN CC[C@@H](SC)C(=O)NC[C@@H]1CCCN1c1cc(NC)nc[nH+]1 ZINC000124150688 407349323 /nfs/dbraw/zinc/34/93/23/407349323.db2.gz QZQRCSNDVJLKHI-NWDGAFQWSA-N 0 2 323.466 1.745 10 0 DDAELN C[C@H]1CC[C@H](C(=O)NCc2nnc(COc3ccccc3)[nH]2)O1 ZINC000186676554 407742282 /nfs/dbraw/zinc/74/22/82/407742282.db2.gz IOKQEVAYZAOMHR-WCQYABFASA-N 0 2 316.361 1.567 10 0 DDAELN C[C@H](CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1)C(=O)[O-] ZINC000262948542 407979363 /nfs/dbraw/zinc/97/93/63/407979363.db2.gz HYRXUZKCUOBJTG-GFCCVEGCSA-N 0 2 316.361 1.734 10 0 DDAELN Cc1cnn(C[C@@H]2CN(c3cccc(C(=O)[O-])[nH+]3)CCO2)c1 ZINC000263458429 408143141 /nfs/dbraw/zinc/14/31/41/408143141.db2.gz BFUKBNHASDINHV-LBPRGKRZSA-N 0 2 302.334 1.190 10 0 DDAELN C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630658485 422247464 /nfs/dbraw/zinc/24/74/64/422247464.db2.gz POILTNSYLFFDLL-MIGQKNRLSA-N 0 2 316.401 1.876 10 0 DDAELN C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630658485 422247468 /nfs/dbraw/zinc/24/74/68/422247468.db2.gz POILTNSYLFFDLL-MIGQKNRLSA-N 0 2 316.401 1.876 10 0 DDAELN Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CN1C(=O)CC(C)(C)C1=O ZINC000176077427 697400984 /nfs/dbraw/zinc/40/09/84/697400984.db2.gz RFLBZNCVQLGTEL-CYBMUJFWSA-N 0 2 304.394 1.399 10 0 DDAELN Cc1cc(C(O)=C[S@](=O)CCS(C)(=O)=O)c(C)s1 ZINC000081910287 192339014 /nfs/dbraw/zinc/33/90/14/192339014.db2.gz OMDBFPREZCLMRI-KRWDZBQOSA-N 0 2 308.446 1.341 10 0 DDAELN O=C([O-])[C@H]1c2ccsc2CCN1C(=O)NCc1c[nH+]c[nH]1 ZINC000088751679 185263846 /nfs/dbraw/zinc/26/38/46/185263846.db2.gz OLUXOPSQIJNSDJ-LLVKDONJSA-N 0 2 306.347 1.365 10 0 DDAELN O=C([O-])[C@H]1c2ccsc2CCN1C(=O)NCc1c[nH]c[nH+]1 ZINC000088751679 185263847 /nfs/dbraw/zinc/26/38/47/185263847.db2.gz OLUXOPSQIJNSDJ-LLVKDONJSA-N 0 2 306.347 1.365 10 0 DDAELN Cc1cc(NC(=O)c2nn(C)c(=O)[nH]2)ccc1Br ZINC000074751233 191354791 /nfs/dbraw/zinc/35/47/91/191354791.db2.gz WDSOKXPVNGBFRT-UHFFFAOYSA-N 0 2 311.139 1.844 10 0 DDAELN O=C([O-])C[N@H+](CC1CC1)C1CC(Nc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000263549188 304066137 /nfs/dbraw/zinc/06/61/37/304066137.db2.gz JNDMFCMZHJWAPF-UHFFFAOYSA-N 0 2 319.361 1.519 10 0 DDAELN O=C([O-])C[N@@H+](CC1CC1)C1CC(Nc2cccc(C(=O)[O-])[nH+]2)C1 ZINC000263549188 304066140 /nfs/dbraw/zinc/06/61/40/304066140.db2.gz JNDMFCMZHJWAPF-UHFFFAOYSA-N 0 2 319.361 1.519 10 0 DDAELN Cc1nc(NC(=O)c2cc(O)[nH]c(=O)c2)ccc1Br ZINC000091507532 193067404 /nfs/dbraw/zinc/06/74/04/193067404.db2.gz WPTHIYHZWXWZJU-UHFFFAOYSA-N 0 2 324.134 1.799 10 0 DDAELN Cc1cccc(NS(=O)(=O)c2ccc(C(N)=S)cc2)n1 ZINC000020562030 182232802 /nfs/dbraw/zinc/23/28/02/182232802.db2.gz DLWVKXWQPXWTFX-UHFFFAOYSA-N 0 2 307.400 1.825 10 0 DDAELN CCS(=O)(=O)c1ccccc1NS(=O)(=O)c1cn[nH]c1 ZINC000040829464 183139222 /nfs/dbraw/zinc/13/92/22/183139222.db2.gz BFLCNHWKQHUQOS-UHFFFAOYSA-N 0 2 315.376 1.004 10 0 DDAELN CCOC(=O)CC[C@H]1C(C)=NN(c2ccc(Cl)nn2)C1=O ZINC000104929854 194053941 /nfs/dbraw/zinc/05/39/41/194053941.db2.gz NSCSHJUUDDZUAF-VIFPVBQESA-N 0 2 310.741 1.812 10 0 DDAELN CCOC(=O)CCc1c(C)[nH]n(-c2ccc(Cl)nn2)c1=O ZINC000104929854 194053943 /nfs/dbraw/zinc/05/39/43/194053943.db2.gz NSCSHJUUDDZUAF-VIFPVBQESA-N 0 2 310.741 1.812 10 0 DDAELN NS(=O)(=O)CCCNc1cc(C(=O)[O-])[nH+]c2ccccc12 ZINC000109588922 194274973 /nfs/dbraw/zinc/27/49/73/194274973.db2.gz DRATVJAUYZJETM-UHFFFAOYSA-N 0 2 309.347 1.024 10 0 DDAELN CCc1nc(N2CC[C@H]([NH+]3CCOCC3)C2)sc1C(=O)[O-] ZINC000110272469 194319570 /nfs/dbraw/zinc/31/95/70/194319570.db2.gz GBIXWOUZCAXXJF-JTQLQIEISA-N 0 2 311.407 1.315 10 0 DDAELN NNc1nnc(SCC(=O)Nc2ccc(F)cc2F)s1 ZINC000059048313 184133773 /nfs/dbraw/zinc/13/37/73/184133773.db2.gz OYBOUFZHWJIVSZ-UHFFFAOYSA-N 0 2 317.346 1.833 10 0 DDAELN C[C@@H](CN(C)C(=O)NCc1ccccc1-n1cc[nH+]c1)C(=O)[O-] ZINC000262948543 407980416 /nfs/dbraw/zinc/98/04/16/407980416.db2.gz HYRXUZKCUOBJTG-LBPRGKRZSA-N 0 2 316.361 1.734 10 0 DDAELN C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)[C@@H]1CCCO1 ZINC000175259426 408089295 /nfs/dbraw/zinc/08/92/95/408089295.db2.gz QJEVBSOBOXKCFB-FZMZJTMJSA-N 0 2 301.346 1.875 10 0 DDAELN C[C@@H](C(=O)[O-])[N@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000263573802 408180537 /nfs/dbraw/zinc/18/05/37/408180537.db2.gz MWLQWYWSQLFULM-UFBFGSQYSA-N 0 2 314.744 1.989 10 0 DDAELN C[C@@H](C(=O)[O-])[N@@H+](C)[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC000263573802 408180541 /nfs/dbraw/zinc/18/05/41/408180541.db2.gz MWLQWYWSQLFULM-UFBFGSQYSA-N 0 2 314.744 1.989 10 0 DDAELN O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCOC2)[N@@H+]1Cc1ccccc1 ZINC000630667206 422255887 /nfs/dbraw/zinc/25/58/87/422255887.db2.gz PKBCWLZYJUPONG-KFWWJZLASA-N 0 2 318.373 1.009 10 0 DDAELN O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCOC2)[N@H+]1Cc1ccccc1 ZINC000630667206 422255890 /nfs/dbraw/zinc/25/58/90/422255890.db2.gz PKBCWLZYJUPONG-KFWWJZLASA-N 0 2 318.373 1.009 10 0 DDAELN CCc1nn(CC)c(C[N@H+](C)[C@H]2COC[C@@H]2C(=O)[O-])c1Cl ZINC000090424027 185295617 /nfs/dbraw/zinc/29/56/17/185295617.db2.gz LXFIDKCAAYMQNO-CABZTGNLSA-N 0 2 315.801 1.650 10 0 DDAELN CCc1nn(CC)c(C[N@@H+](C)[C@H]2COC[C@@H]2C(=O)[O-])c1Cl ZINC000090424027 185295618 /nfs/dbraw/zinc/29/56/18/185295618.db2.gz LXFIDKCAAYMQNO-CABZTGNLSA-N 0 2 315.801 1.650 10 0 DDAELN CN(C)C(=O)NCCNC(=O)c1ccc(Cl)c(Cl)c1O ZINC000181040030 199244169 /nfs/dbraw/zinc/24/41/69/199244169.db2.gz YJJUGNIOISCASB-UHFFFAOYSA-N 0 2 320.176 1.700 10 0 DDAELN Cc1nc(SC[C@H]2C[N@H+](C)CCO2)sc1CC(=O)[O-] ZINC000092053856 193149398 /nfs/dbraw/zinc/14/93/98/193149398.db2.gz HKPSOVXNWQNJOF-SECBINFHSA-N 0 2 302.421 1.501 10 0 DDAELN Cc1nc(SC[C@H]2C[N@@H+](C)CCO2)sc1CC(=O)[O-] ZINC000092053856 193149401 /nfs/dbraw/zinc/14/94/01/193149401.db2.gz HKPSOVXNWQNJOF-SECBINFHSA-N 0 2 302.421 1.501 10 0 DDAELN O=C([O-])CC1CC[NH+]([C@H]2CS(=O)(=O)c3ccccc32)CC1 ZINC000093680429 193287948 /nfs/dbraw/zinc/28/79/48/193287948.db2.gz FPKAPFSBBCJTIQ-ZDUSSCGKSA-N 0 2 309.387 1.702 10 0 DDAELN CN(CCS(C)(=O)=O)c1cc(C(=O)[O-])[nH+]c2ccccc21 ZINC000094301884 193358999 /nfs/dbraw/zinc/35/89/99/193358999.db2.gz JENIDAAGGLICAL-UHFFFAOYSA-N 0 2 308.359 1.414 10 0 DDAELN Cc1cc(NS(=O)(=O)c2ccccc2C(N)=S)n(C)n1 ZINC000021510657 182276762 /nfs/dbraw/zinc/27/67/62/182276762.db2.gz SYGUWVFKNAGZBS-UHFFFAOYSA-N 0 2 310.404 1.164 10 0 DDAELN NC(=S)[C@@H]1CCC[C@H]1NC(=O)c1cc(F)c(F)c(O)c1F ZINC000061885765 184192122 /nfs/dbraw/zinc/19/21/22/184192122.db2.gz MEWGOSNJLWAOIO-SVGQVSJJSA-N 0 2 318.320 1.994 10 0 DDAELN C[C@@H]1CC[C@H](C(=O)NCc2nnc(COc3ccccc3)[nH]2)O1 ZINC000186676537 407741912 /nfs/dbraw/zinc/74/19/12/407741912.db2.gz IOKQEVAYZAOMHR-DGCLKSJQSA-N 0 2 316.361 1.567 10 0 DDAELN Cc1cnn(CCNC(=O)c2c[nH]c3nc(C)ccc3c2=O)c1 ZINC000117987196 407875167 /nfs/dbraw/zinc/87/51/67/407875167.db2.gz MDSCEWLPBOLNAM-UHFFFAOYSA-N 0 2 311.345 1.579 10 0 DDAELN C[C@H](C(=O)[O-])[N@H+](CC(=O)NCc1cccc(Cl)c1)C1CC1 ZINC000263092497 408023807 /nfs/dbraw/zinc/02/38/07/408023807.db2.gz JABLYPCZWUCDKZ-SNVBAGLBSA-N 0 2 310.781 1.894 10 0 DDAELN C[C@H](C(=O)[O-])[N@@H+](CC(=O)NCc1cccc(Cl)c1)C1CC1 ZINC000263092497 408023812 /nfs/dbraw/zinc/02/38/12/408023812.db2.gz JABLYPCZWUCDKZ-SNVBAGLBSA-N 0 2 310.781 1.894 10 0 DDAELN C[C@@H](C(=O)[O-])[N@H+](CC(=O)NCCc1ccc(Cl)cc1)C1CC1 ZINC000263143365 698493587 /nfs/dbraw/zinc/49/35/87/698493587.db2.gz OLQZZDJNVVKDPV-NSHDSACASA-N 0 2 324.808 1.936 10 0 DDAELN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)NCCc1ccc(Cl)cc1)C1CC1 ZINC000263143365 698493589 /nfs/dbraw/zinc/49/35/89/698493589.db2.gz OLQZZDJNVVKDPV-NSHDSACASA-N 0 2 324.808 1.936 10 0 DDAELN Cc1sc2[nH]c(=S)n([C@H]3CCC(=O)NC3=O)c(=O)c2c1C ZINC000090018489 185278222 /nfs/dbraw/zinc/27/82/22/185278222.db2.gz JUHVPBYLZHVGPC-ZETCQYMHSA-N 0 2 323.399 1.715 10 0 DDAELN CCn1nc(C)c(Cl)c1C[N@H+](CC)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090476535 185298411 /nfs/dbraw/zinc/29/84/11/185298411.db2.gz YINZEFXIIGKSIS-JQWIXIFHSA-N 0 2 315.801 1.786 10 0 DDAELN CCn1nc(C)c(Cl)c1C[N@@H+](CC)[C@H]1COC[C@@H]1C(=O)[O-] ZINC000090476535 185298412 /nfs/dbraw/zinc/29/84/12/185298412.db2.gz YINZEFXIIGKSIS-JQWIXIFHSA-N 0 2 315.801 1.786 10 0 DDAELN CCC[C@H]1SC[C@@H](C(=O)[O-])N1C(=O)N(C)Cc1[nH]cc[nH+]1 ZINC000080535631 192165848 /nfs/dbraw/zinc/16/58/48/192165848.db2.gz QJBUGTQVHLAEBP-GXSJLCMTSA-N 0 2 312.395 1.590 10 0 DDAELN Cc1noc(C)c1S(=O)(=O)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000074819614 191366417 /nfs/dbraw/zinc/36/64/17/191366417.db2.gz SBYWSZQXPKRMNL-UHFFFAOYSA-N 0 2 308.319 1.262 10 0 DDAELN O=c1[nH][nH]c(=O)c2cc(NS(=O)(=O)c3cccs3)ccc12 ZINC000074859317 191373834 /nfs/dbraw/zinc/37/38/34/191373834.db2.gz XLHMZWKOJCEVQU-UHFFFAOYSA-N 0 2 323.355 1.491 10 0 DDAELN Cn1nccc1NS(=O)(=O)c1ccc(CC(N)=S)cc1 ZINC000092131838 193166726 /nfs/dbraw/zinc/16/67/26/193166726.db2.gz GMAAHAKDZKDEBW-UHFFFAOYSA-N 0 2 310.404 1.050 10 0 DDAELN Cn1nccc1NS(=O)(=O)c1cccc2cc(N)ccc21 ZINC000094787112 193398587 /nfs/dbraw/zinc/39/85/87/193398587.db2.gz YUSPOMQCFWSYLC-UHFFFAOYSA-N 0 2 302.359 1.956 10 0 DDAELN 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305.721 1.715 10 0 DDAELN O=C([O-])[C@@H]1Cc2[nH]c[nH+]c2CN1C(=O)c1cccc(Cl)c1 ZINC000092778005 185340248 /nfs/dbraw/zinc/34/02/48/185340248.db2.gz DMULNFROUIQKJZ-LBPRGKRZSA-N 0 2 305.721 1.715 10 0 DDAELN O=C([O-])CC1C[NH+](CC(=O)Nc2nc3ccccc3s2)C1 ZINC000081743849 192319515 /nfs/dbraw/zinc/31/95/15/192319515.db2.gz KDULSJITDNGGJF-UHFFFAOYSA-N 0 2 305.359 1.641 10 0 DDAELN COC(=O)c1cc(Cl)ccc1NS(=O)(=O)c1cn[nH]c1 ZINC000040825032 183137778 /nfs/dbraw/zinc/13/77/78/183137778.db2.gz XCALNFORWCCVSI-UHFFFAOYSA-N 0 2 315.738 1.651 10 0 DDAELN COc1cc(C(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)cc(C)n1 ZINC000334057810 249198538 /nfs/dbraw/zinc/19/85/38/249198538.db2.gz WOKOKAAXOQFJHL-JTQLQIEISA-N 0 2 317.349 1.242 10 0 DDAELN Nc1ncc(S(=O)(=O)Nc2cccc3ncccc32)cn1 ZINC000106696940 194244604 /nfs/dbraw/zinc/24/46/04/194244604.db2.gz IVTYKJBAJPCBEU-UHFFFAOYSA-N 0 2 301.331 1.408 10 0 DDAELN O=C([O-])c1cnc(N2CC[C@@H]([NH+]3CCOCC3)C2)c(Cl)c1 ZINC000110345523 194324264 /nfs/dbraw/zinc/32/42/64/194324264.db2.gz KBYRSGVURFEITF-LLVKDONJSA-N 0 2 311.769 1.344 10 0 DDAELN O=C([O-])C[C@@H]1CCCC[N@@H+]1[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000216466210 257132663 /nfs/dbraw/zinc/13/26/63/257132663.db2.gz AWHBILIBWSKJDT-WCQYABFASA-N 0 2 309.387 1.844 10 0 DDAELN O=C([O-])C[C@@H]1CCCC[N@H+]1[C@@H]1CS(=O)(=O)c2ccccc21 ZINC000216466210 257132664 /nfs/dbraw/zinc/13/26/64/257132664.db2.gz AWHBILIBWSKJDT-WCQYABFASA-N 0 2 309.387 1.844 10 0 DDAELN NC(=O)[C@@H]1C[N@H+](Cc2cccnc2)C[C@H]1COc1cc[nH+]cc1 ZINC000257192402 407488061 /nfs/dbraw/zinc/48/80/61/407488061.db2.gz QOGMFSHRXMXIED-GOEBONIOSA-N 0 2 312.373 1.089 10 0 DDAELN C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+]1Cc1ccccc1 ZINC000630658482 422246832 /nfs/dbraw/zinc/24/68/32/422246832.db2.gz POILTNSYLFFDLL-DTZQCDIJSA-N 0 2 316.401 1.876 10 0 DDAELN C[C@@H]1C[C@@H]1CNC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+]1Cc1ccccc1 ZINC000630658482 422246836 /nfs/dbraw/zinc/24/68/36/422246836.db2.gz POILTNSYLFFDLL-DTZQCDIJSA-N 0 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C[C@H](NC(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1cccs1 ZINC000047477140 407075087 /nfs/dbraw/zinc/07/50/87/407075087.db2.gz PLTWVPBHWWQIKC-ZETCQYMHSA-N 0 2 316.342 1.576 10 0 DDAELN C[C@H](C(=O)[O-])[N@H+](C)CC(=O)NCCCN(C)c1ccccc1 ZINC000262928114 407973560 /nfs/dbraw/zinc/97/35/60/407973560.db2.gz ZYIDWIZYEWDGLV-CYBMUJFWSA-N 0 2 307.394 1.034 10 0 DDAELN C[C@H](C(=O)[O-])[N@@H+](C)CC(=O)NCCCN(C)c1ccccc1 ZINC000262928114 407973569 /nfs/dbraw/zinc/97/35/69/407973569.db2.gz ZYIDWIZYEWDGLV-CYBMUJFWSA-N 0 2 307.394 1.034 10 0 DDAELN O=C(N[C@@H]1CCCN(c2cccnn2)C1)c1cccc2[nH]nnc21 ZINC000183634942 408458725 /nfs/dbraw/zinc/45/87/25/408458725.db2.gz MZIGVAGYTKXFIY-LLVKDONJSA-N 0 2 323.360 1.147 10 0 DDAELN CC[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2)CCN1C[C@H](C)O ZINC000247224579 408433849 /nfs/dbraw/zinc/43/38/49/408433849.db2.gz QUKIKMAYUOJERN-BBWFWOEESA-N 0 2 322.449 1.203 10 0 DDAELN CC(C)n1ncnc1C[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC000088601813 185259678 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1.613 10 0 DDAELN O=C([O-])[C@H]1CC[C@H](C(=O)NCC2CC2)[N@@H+]1Cc1ccccc1 ZINC000630655779 422245236 /nfs/dbraw/zinc/24/52/36/422245236.db2.gz OTZHLSNFVGCTAB-HUUCEWRRSA-N 0 2 302.374 1.630 10 0 DDAELN O=C([O-])[C@H]1CC[C@H](C(=O)NCC2CC2)[N@H+]1Cc1ccccc1 ZINC000630655779 422245242 /nfs/dbraw/zinc/24/52/42/422245242.db2.gz OTZHLSNFVGCTAB-HUUCEWRRSA-N 0 2 302.374 1.630 10 0 DDAELN Cn1c[nH+]cc1[C@@H](CC(=O)[O-])NC(=O)OCc1ccccc1 ZINC000230212063 697781967 /nfs/dbraw/zinc/78/19/67/697781967.db2.gz BJFDLIAUBKTIEV-GFCCVEGCSA-N 0 2 303.318 1.862 10 0 DDAELN Cc1nnc2n1C[C@@H](C(=O)[O-])[N@@H+](CCc1ccc(Cl)cc1)C2 ZINC000263497689 698510448 /nfs/dbraw/zinc/51/04/48/698510448.db2.gz JZVRNVKXPTYBDG-ZDUSSCGKSA-N 0 2 320.780 1.751 10 0 DDAELN Cc1nnc2n1C[C@@H](C(=O)[O-])[N@H+](CCc1ccc(Cl)cc1)C2 ZINC000263497689 698510450 /nfs/dbraw/zinc/51/04/50/698510450.db2.gz JZVRNVKXPTYBDG-ZDUSSCGKSA-N 0 2 320.780 1.751 10 0 DDAELN COC(=O)c1ccccc1NS(=O)(=O)c1cccnc1N ZINC000088070514 185238665 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