smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)c1cc(Cl)cc(C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)c1O ZINC000177246904 823408984 /nfs/dbraw/zinc/40/89/84/823408984.db2.gz UGHPRICJSSYUIM-UHFFFAOYSA-N 1 2 386.879 4.099 20 10 GICDLO CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177298032 823425195 /nfs/dbraw/zinc/42/51/95/823425195.db2.gz LFCISRYFRYOCMC-UHFFFAOYSA-N 1 2 388.895 4.326 20 10 GICDLO CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1cc(Cl)cc(C(C)=O)c1O ZINC000177298032 823425199 /nfs/dbraw/zinc/42/51/99/823425199.db2.gz LFCISRYFRYOCMC-UHFFFAOYSA-N 1 2 388.895 4.326 20 10 GICDLO Cc1ccc2[nH+]cc(/C=C3/SC(=S)N(c4ccc(N(C)C)cc4)C3=O)n2c1 ZINC000178766401 822408230 /nfs/dbraw/zinc/40/82/30/822408230.db2.gz IZZZQWYGXVRWMN-LICLKQGHSA-N 1 2 394.525 4.115 20 10 GICDLO COc1ccc(N2CC[NH+](Cc3coc(-c4cccc(Cl)c4)n3)CC2)cc1 ZINC000045735209 822409451 /nfs/dbraw/zinc/40/94/51/822409451.db2.gz HCADSKSAUCLWLY-UHFFFAOYSA-N 1 2 383.879 4.326 20 10 GICDLO C[C@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000186432130 822894033 /nfs/dbraw/zinc/89/40/33/822894033.db2.gz MHXZRKMXFNBPGO-SFHVURJKSA-N 1 2 391.519 4.225 20 10 GICDLO CC(C)[C@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nc(-c2cccnc2)no1 ZINC000190942476 823627978 /nfs/dbraw/zinc/62/79/78/823627978.db2.gz SSWBMNUJMCRBRD-INIZCTEOSA-N 1 2 376.819 4.117 20 10 GICDLO COc1cccc(N2C(=O)/C(=C\c3ccc(-n4cc[nH+]c4)cc3)SC2=S)c1 ZINC000022226083 818784155 /nfs/dbraw/zinc/78/41/55/818784155.db2.gz HZVRHNBSSQDYOH-WOJGMQOQSA-N 1 2 393.493 4.287 20 10 GICDLO O=C1/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1Cc1ccccc1 ZINC000028963736 820377605 /nfs/dbraw/zinc/37/76/05/820377605.db2.gz JWSUAIUABKVNBA-PDGQHHTCSA-N 1 2 377.494 4.274 20 10 GICDLO O=C1/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1c1ccccc1F ZINC000028963868 820377720 /nfs/dbraw/zinc/37/77/20/820377720.db2.gz KJEQYFZHCKKICD-GZTJUZNOSA-N 1 2 381.457 4.417 20 10 GICDLO Cc1nnc([C@@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)c2ccccc2)[nH]1 ZINC000185324151 822766095 /nfs/dbraw/zinc/76/60/95/822766095.db2.gz YFMPGNXYXRBNPD-GTNSWQLSSA-N 1 2 387.281 4.021 20 10 GICDLO COc1ccc(-c2noc(C[N@H+](C)Cc3ccc(N4CCCCC4)cc3)n2)cc1 ZINC000015571652 818340396 /nfs/dbraw/zinc/34/03/96/818340396.db2.gz JCLJKQZPJMQEEX-UHFFFAOYSA-N 1 2 392.503 4.368 20 10 GICDLO COc1ccc(-c2noc(C[N@@H+](C)Cc3ccc(N4CCCCC4)cc3)n2)cc1 ZINC000015571652 818340403 /nfs/dbraw/zinc/34/04/03/818340403.db2.gz JCLJKQZPJMQEEX-UHFFFAOYSA-N 1 2 392.503 4.368 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000177365074 823445762 /nfs/dbraw/zinc/44/57/62/823445762.db2.gz PWSXOOCPVXBYTJ-XELLLNAOSA-N 1 2 379.909 4.179 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000177365074 823445764 /nfs/dbraw/zinc/44/57/64/823445764.db2.gz PWSXOOCPVXBYTJ-XELLLNAOSA-N 1 2 379.909 4.179 20 10 GICDLO O=C1/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1CCc1ccccc1 ZINC000028963747 820377664 /nfs/dbraw/zinc/37/76/64/820377664.db2.gz ZOLPRLSFAYLGSM-RGEXLXHISA-N 1 2 391.521 4.316 20 10 GICDLO Cc1cccn2c(/C=C3\SC(=S)N(c4ccc(N(C)C)cc4)C3=O)c[nH+]c12 ZINC000125298085 823666085 /nfs/dbraw/zinc/66/60/85/823666085.db2.gz LHQSBSHYGZMJMR-BOPFTXTBSA-N 1 2 394.525 4.115 20 10 GICDLO CCN(CC)c1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000125904842 823741111 /nfs/dbraw/zinc/74/11/11/823741111.db2.gz SFALAKUPNLLAAZ-INIZCTEOSA-N 1 2 392.540 4.268 20 10 GICDLO CCN(CC)c1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000125904842 823741116 /nfs/dbraw/zinc/74/11/16/823741116.db2.gz SFALAKUPNLLAAZ-INIZCTEOSA-N 1 2 392.540 4.268 20 10 GICDLO CCOc1cccc(C[N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000182388897 822225857 /nfs/dbraw/zinc/22/58/57/822225857.db2.gz ITPCOHMOHUEZFH-SFHVURJKSA-N 1 2 381.394 4.383 20 10 GICDLO CCOc1cccc(C[N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000182388897 822225868 /nfs/dbraw/zinc/22/58/68/822225868.db2.gz ITPCOHMOHUEZFH-SFHVURJKSA-N 1 2 381.394 4.383 20 10 GICDLO Cc1nnc([C@@H]([NH2+][C@H](C)c2cc(Br)ccc2O)c2ccccc2)[nH]1 ZINC000185324180 822765944 /nfs/dbraw/zinc/76/59/44/822765944.db2.gz YFMPGNXYXRBNPD-DIFFPNOSSA-N 1 2 387.281 4.021 20 10 GICDLO CCOCc1cc(C[NH2+][C@H](C)c2nc(-c3cccc(OC)c3)no2)ccc1OC ZINC000174656034 822818954 /nfs/dbraw/zinc/81/89/54/822818954.db2.gz PNTZDXBKNLQSCI-OAHLLOKOSA-N 1 2 397.475 4.141 20 10 GICDLO Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)c(C)n1-c1ccc(F)cc1 ZINC000060782726 823557096 /nfs/dbraw/zinc/55/70/96/823557096.db2.gz NTKREPBUGHVZNS-UHFFFAOYSA-N 1 2 397.519 4.253 20 10 GICDLO COc1ccc(N2CC[NH+](Cc3nc(-c4ccccc4)oc3C)CC2)cc1F ZINC000122074966 823302395 /nfs/dbraw/zinc/30/23/95/823302395.db2.gz WSKQTXOCVYYJOV-UHFFFAOYSA-N 1 2 381.451 4.120 20 10 GICDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@@H](C)c1nc(C(C)(C)C)no1 ZINC000174425706 822788353 /nfs/dbraw/zinc/78/83/53/822788353.db2.gz LOVUYHDXQBYZQD-NSHDSACASA-N 1 2 382.302 4.418 20 10 GICDLO CC[N@H+](Cc1csc([C@H](C)OC)n1)Cc1cc(Br)ccc1O ZINC000175285532 822924451 /nfs/dbraw/zinc/92/44/51/822924451.db2.gz DWIWPCZSWIQZQA-NSHDSACASA-N 1 2 385.327 4.341 20 10 GICDLO CC[N@@H+](Cc1csc([C@H](C)OC)n1)Cc1cc(Br)ccc1O ZINC000175285532 822924455 /nfs/dbraw/zinc/92/44/55/822924455.db2.gz DWIWPCZSWIQZQA-NSHDSACASA-N 1 2 385.327 4.341 20 10 GICDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)cc1 ZINC000058031690 823356432 /nfs/dbraw/zinc/35/64/32/823356432.db2.gz RNCVQAWUTCPOJJ-HNNXBMFYSA-N 1 2 398.894 4.282 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000177365059 823445782 /nfs/dbraw/zinc/44/57/82/823445782.db2.gz PWSXOOCPVXBYTJ-UOXLDJKESA-N 1 2 379.909 4.179 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2ccc([S@@](C)=O)cc2)c1O ZINC000177365059 823445784 /nfs/dbraw/zinc/44/57/84/823445784.db2.gz PWSXOOCPVXBYTJ-UOXLDJKESA-N 1 2 379.909 4.179 20 10 GICDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000058975848 823478003 /nfs/dbraw/zinc/47/80/03/823478003.db2.gz RHKLRCBEELMXIV-UHFFFAOYSA-N 1 2 388.515 4.194 20 10 GICDLO CC(C)(C)c1cnc(SCC(=O)Nc2nc(C[NH+]3CCCC3)cs2)s1 ZINC000164252061 823789889 /nfs/dbraw/zinc/78/98/89/823789889.db2.gz VEFXFSVJBCHHJS-UHFFFAOYSA-N 1 2 396.607 4.224 20 10 GICDLO CCO[C@H](C)c1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000120764976 823059676 /nfs/dbraw/zinc/05/96/76/823059676.db2.gz BEOGTWOALBNVIF-QAPCUYQASA-N 1 2 376.522 4.127 20 10 GICDLO CCO[C@H](C)c1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000120764976 823059681 /nfs/dbraw/zinc/05/96/81/823059681.db2.gz BEOGTWOALBNVIF-QAPCUYQASA-N 1 2 376.522 4.127 20 10 GICDLO Cc1cc(C(=O)N2CCC[C@H](Cc3[nH+]ccn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000120776135 823061609 /nfs/dbraw/zinc/06/16/09/823061609.db2.gz XKZRGTNWUGMFQJ-GOSISDBHSA-N 1 2 394.494 4.062 20 10 GICDLO Cc1cc(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C)n1-c1ccccn1 ZINC000120804984 823067855 /nfs/dbraw/zinc/06/78/55/823067855.db2.gz YATQVWPFSFZIEW-UHFFFAOYSA-N 1 2 395.532 4.184 20 10 GICDLO Oc1c(Br)cccc1C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000123937619 823553267 /nfs/dbraw/zinc/55/32/67/823553267.db2.gz QKHAXEBEPYQPLI-UHFFFAOYSA-N 1 2 390.306 4.006 20 10 GICDLO COc1cc(C[N@@H+]2CCSC[C@H]2c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000184877423 822705834 /nfs/dbraw/zinc/70/58/34/822705834.db2.gz OUVJRMXVZPDHNG-INIZCTEOSA-N 1 2 378.563 4.445 20 10 GICDLO COc1cc(C[N@H+]2CCSC[C@H]2c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000184877423 822705836 /nfs/dbraw/zinc/70/58/36/822705836.db2.gz OUVJRMXVZPDHNG-INIZCTEOSA-N 1 2 378.563 4.445 20 10 GICDLO Cc1nnc([C@@H]([NH2+][C@H](C)c2ccc(Br)cc2O)c2ccccc2)[nH]1 ZINC000185324880 822766352 /nfs/dbraw/zinc/76/63/52/822766352.db2.gz HQVOFQZZLRXAOL-DIFFPNOSSA-N 1 2 387.281 4.021 20 10 GICDLO COc1ccc([C@@H](C)NC(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)cc1 ZINC000359941369 206271962 /nfs/dbraw/zinc/27/19/62/206271962.db2.gz LNIGEURFLGXTKE-QGZVFWFLSA-N 1 2 397.519 4.075 20 10 GICDLO Cc1cc(C(=O)N2CCC(n3cc[nH+]c3)CC2)c(C)n1-c1cc(C)cc(C)c1 ZINC000176293993 823174666 /nfs/dbraw/zinc/17/46/66/823174666.db2.gz ZPSMDHHMNIPNAQ-UHFFFAOYSA-N 1 2 376.504 4.385 20 10 GICDLO Cc1cc(C(=O)C[NH+]2CCC(O)CC2)c(C)n1-c1cc(Cl)cc(Cl)c1 ZINC000026858875 820154580 /nfs/dbraw/zinc/15/45/80/820154580.db2.gz WBRXEHMIFQVYPQ-UHFFFAOYSA-N 1 2 381.303 4.040 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000185424277 822782036 /nfs/dbraw/zinc/78/20/36/822782036.db2.gz QGSBSWVPQYWHRE-LJQANCHMSA-N 1 2 387.842 4.000 20 10 GICDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000055527129 822974920 /nfs/dbraw/zinc/97/49/20/822974920.db2.gz SWLWQLTZZYODLO-INIZCTEOSA-N 1 2 396.466 4.076 20 10 GICDLO COc1ccc(N2CC[NH+]([C@@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1F ZINC000122003879 823291580 /nfs/dbraw/zinc/29/15/80/823291580.db2.gz SOHXKGPFSSVZLK-INIZCTEOSA-N 1 2 396.466 4.076 20 10 GICDLO CCOc1cccc(C[N@@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000182388922 822225671 /nfs/dbraw/zinc/22/56/71/822225671.db2.gz ITPCOHMOHUEZFH-GOSISDBHSA-N 1 2 381.394 4.383 20 10 GICDLO CCOc1cccc(C[N@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000182388922 822225675 /nfs/dbraw/zinc/22/56/75/822225675.db2.gz ITPCOHMOHUEZFH-GOSISDBHSA-N 1 2 381.394 4.383 20 10 GICDLO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000180573536 822704920 /nfs/dbraw/zinc/70/49/20/822704920.db2.gz NLOGNFGULIKKDX-GOSISDBHSA-N 1 2 381.394 4.302 20 10 GICDLO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000180573536 822704922 /nfs/dbraw/zinc/70/49/22/822704922.db2.gz NLOGNFGULIKKDX-GOSISDBHSA-N 1 2 381.394 4.302 20 10 GICDLO O=C1/C(=C/c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1c1ccc(Cl)nc1 ZINC000170738376 823958094 /nfs/dbraw/zinc/95/80/94/823958094.db2.gz FETJHLNTXGYMNM-DHDCSXOGSA-N 1 2 398.900 4.327 20 10 GICDLO Cc1cc(C(=O)N2CCC[C@@H](Cc3[nH+]ccn3C)C2)c(C)n1-c1ccc(F)cc1 ZINC000120776260 823061578 /nfs/dbraw/zinc/06/15/78/823061578.db2.gz XKZRGTNWUGMFQJ-SFHVURJKSA-N 1 2 394.494 4.062 20 10 GICDLO COc1cc(O)c(C[N@@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1OC ZINC000180575682 822705138 /nfs/dbraw/zinc/70/51/38/822705138.db2.gz OEYVYKYBODOORM-LJQANCHMSA-N 1 2 397.393 4.002 20 10 GICDLO COc1cc(O)c(C[N@H+]2CCO[C@@H](c3ccccc3C(F)(F)F)C2)cc1OC ZINC000180575682 822705140 /nfs/dbraw/zinc/70/51/40/822705140.db2.gz OEYVYKYBODOORM-LJQANCHMSA-N 1 2 397.393 4.002 20 10 GICDLO CCOCc1cc(C[NH2+][C@H](C)c2nc(-c3cccc(F)c3)no2)ccc1OC ZINC000174665274 822820826 /nfs/dbraw/zinc/82/08/26/822820826.db2.gz QULIBUCEELTVGC-CQSZACIVSA-N 1 2 385.439 4.272 20 10 GICDLO CCN(CC)c1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000125905071 823741055 /nfs/dbraw/zinc/74/10/55/823741055.db2.gz SFALAKUPNLLAAZ-MRXNPFEDSA-N 1 2 392.540 4.268 20 10 GICDLO CCN(CC)c1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1F ZINC000125905071 823741062 /nfs/dbraw/zinc/74/10/62/823741062.db2.gz SFALAKUPNLLAAZ-MRXNPFEDSA-N 1 2 392.540 4.268 20 10 GICDLO COc1ccc(N2CC[NH+]([C@H](C)c3nnc(-c4cccc(Cl)c4)o3)CC2)cc1 ZINC000058031698 823356418 /nfs/dbraw/zinc/35/64/18/823356418.db2.gz RNCVQAWUTCPOJJ-OAHLLOKOSA-N 1 2 398.894 4.282 20 10 GICDLO Cc1ccc(S(=O)(=O)CCC[N@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000180794012 821462227 /nfs/dbraw/zinc/46/22/27/821462227.db2.gz OYVZKNGQYZBNFU-UHFFFAOYSA-N 1 2 399.512 4.160 20 10 GICDLO Cc1ccc(S(=O)(=O)CCC[N@@H+](Cc2ccco2)Cc2ccccc2O)cc1 ZINC000180794012 821462234 /nfs/dbraw/zinc/46/22/34/821462234.db2.gz OYVZKNGQYZBNFU-UHFFFAOYSA-N 1 2 399.512 4.160 20 10 GICDLO COc1c(C)c[nH+]c(CNC(=O)N(C)Cc2ccc(N3CCCCC3)cc2)c1C ZINC000051755287 822777649 /nfs/dbraw/zinc/77/76/49/822777649.db2.gz KOZVYSXJYPKBSJ-UHFFFAOYSA-N 1 2 396.535 4.039 20 10 GICDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185684355 822809979 /nfs/dbraw/zinc/80/99/79/822809979.db2.gz SHTHCIWJTWPIAV-YGRLFVJLSA-N 1 2 397.292 4.194 20 10 GICDLO CC[N@H+](Cc1csc([C@@H](C)OC)n1)Cc1cc(Br)ccc1O ZINC000175285513 822924317 /nfs/dbraw/zinc/92/43/17/822924317.db2.gz DWIWPCZSWIQZQA-LLVKDONJSA-N 1 2 385.327 4.341 20 10 GICDLO CC[N@@H+](Cc1csc([C@@H](C)OC)n1)Cc1cc(Br)ccc1O ZINC000175285513 822924320 /nfs/dbraw/zinc/92/43/20/822924320.db2.gz DWIWPCZSWIQZQA-LLVKDONJSA-N 1 2 385.327 4.341 20 10 GICDLO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3cccc(Br)c3)C2)c1O ZINC000164240997 823788858 /nfs/dbraw/zinc/78/88/58/823788858.db2.gz ZMEHHNWBIDCQRK-SFHVURJKSA-N 1 2 392.293 4.045 20 10 GICDLO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3cccc(Br)c3)C2)c1O ZINC000164240997 823788864 /nfs/dbraw/zinc/78/88/64/823788864.db2.gz ZMEHHNWBIDCQRK-SFHVURJKSA-N 1 2 392.293 4.045 20 10 GICDLO C[C@H](c1ccccc1)[N@H+](Cc1nnnn1-c1ccccc1)Cc1ccccc1O ZINC000176695501 823269892 /nfs/dbraw/zinc/26/98/92/823269892.db2.gz SBKQJQAOZDALPN-GOSISDBHSA-N 1 2 385.471 4.131 20 10 GICDLO C[C@H](c1ccccc1)[N@@H+](Cc1nnnn1-c1ccccc1)Cc1ccccc1O ZINC000176695501 823269895 /nfs/dbraw/zinc/26/98/95/823269895.db2.gz SBKQJQAOZDALPN-GOSISDBHSA-N 1 2 385.471 4.131 20 10 GICDLO CCOCc1cc(C[NH2+][C@@H](C)c2nc(-c3cccc(F)c3)no2)ccc1OC ZINC000174665265 822820622 /nfs/dbraw/zinc/82/06/22/822820622.db2.gz QULIBUCEELTVGC-AWEZNQCLSA-N 1 2 385.439 4.272 20 10 GICDLO C[N@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571608 818340462 /nfs/dbraw/zinc/34/04/62/818340462.db2.gz PAYPAWZXPOMAIN-UHFFFAOYSA-N 1 2 380.467 4.498 20 10 GICDLO C[N@@H+](Cc1nc(-c2ccc(F)cc2)no1)Cc1ccc(N2CCCCC2)cc1 ZINC000015571608 818340471 /nfs/dbraw/zinc/34/04/71/818340471.db2.gz PAYPAWZXPOMAIN-UHFFFAOYSA-N 1 2 380.467 4.498 20 10 GICDLO Cc1nc(C2([NH2+]Cc3ccc(OCc4ccccc4)cc3O)CCCC2)no1 ZINC000183147858 822431274 /nfs/dbraw/zinc/43/12/74/822431274.db2.gz CVAYIFWTDBCXQA-UHFFFAOYSA-N 1 2 379.460 4.222 20 10 GICDLO COc1cc(O)c(C[N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1OC ZINC000180575660 822705167 /nfs/dbraw/zinc/70/51/67/822705167.db2.gz OEYVYKYBODOORM-IBGZPJMESA-N 1 2 397.393 4.002 20 10 GICDLO COc1cc(O)c(C[N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)cc1OC ZINC000180575660 822705170 /nfs/dbraw/zinc/70/51/70/822705170.db2.gz OEYVYKYBODOORM-IBGZPJMESA-N 1 2 397.393 4.002 20 10 GICDLO CCOCc1cc(C[NH2+][C@@H](C)c2nc(-c3cccc(OC)c3)no2)ccc1OC ZINC000174656020 822818976 /nfs/dbraw/zinc/81/89/76/822818976.db2.gz PNTZDXBKNLQSCI-HNNXBMFYSA-N 1 2 397.475 4.141 20 10 GICDLO CC[N@@H+](Cc1cc(Br)ccc1O)[C@H](C)c1nc(C(C)(C)C)no1 ZINC000174425720 822788382 /nfs/dbraw/zinc/78/83/82/822788382.db2.gz LOVUYHDXQBYZQD-LLVKDONJSA-N 1 2 382.302 4.418 20 10 GICDLO COc1ccc(N2CC[NH+]([C@H](C)c3nc(-c4ccc(C)c(F)c4)no3)CC2)cc1 ZINC000055527128 822974960 /nfs/dbraw/zinc/97/49/60/822974960.db2.gz SWLWQLTZZYODLO-MRXNPFEDSA-N 1 2 396.466 4.076 20 10 GICDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@H+](C)CC3)c(C)n1-c1ccccc1C ZINC000120925233 823087566 /nfs/dbraw/zinc/08/75/66/823087566.db2.gz PVFWAWCVESYGIJ-UHFFFAOYSA-N 1 2 380.517 4.099 20 10 GICDLO Cc1cc(C(=O)Nc2nc3c(s2)C[N@@H+](C)CC3)c(C)n1-c1ccccc1C ZINC000120925233 823087572 /nfs/dbraw/zinc/08/75/72/823087572.db2.gz PVFWAWCVESYGIJ-UHFFFAOYSA-N 1 2 380.517 4.099 20 10 GICDLO COc1ccc(N2CC[NH+]([C@H](C)c3nnc(-c4ccc(C)cc4)o3)CC2)cc1F ZINC000122003619 823291559 /nfs/dbraw/zinc/29/15/59/823291559.db2.gz SOHXKGPFSSVZLK-MRXNPFEDSA-N 1 2 396.466 4.076 20 10 GICDLO Cc1nnc([C@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)c2ccccc2)[nH]1 ZINC000185324827 822766345 /nfs/dbraw/zinc/76/63/45/822766345.db2.gz HQVOFQZZLRXAOL-APPDUMDISA-N 1 2 387.281 4.021 20 10 GICDLO COc1cc(C[N@@H+]2CCSC[C@@H]2c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000184877402 822705671 /nfs/dbraw/zinc/70/56/71/822705671.db2.gz OUVJRMXVZPDHNG-MRXNPFEDSA-N 1 2 378.563 4.445 20 10 GICDLO COc1cc(C[N@H+]2CCSC[C@@H]2c2nccs2)c(O)c(C(C)(C)C)c1 ZINC000184877402 822705672 /nfs/dbraw/zinc/70/56/72/822705672.db2.gz OUVJRMXVZPDHNG-MRXNPFEDSA-N 1 2 378.563 4.445 20 10 GICDLO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3ccccc3Br)C2)c1O ZINC000164257269 823790505 /nfs/dbraw/zinc/79/05/05/823790505.db2.gz SPKNHPLBFWHLFW-GOSISDBHSA-N 1 2 392.293 4.045 20 10 GICDLO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3ccccc3Br)C2)c1O ZINC000164257269 823790508 /nfs/dbraw/zinc/79/05/08/823790508.db2.gz SPKNHPLBFWHLFW-GOSISDBHSA-N 1 2 392.293 4.045 20 10 GICDLO CCCCn1nc(C)c(C[N@H+](C)Cc2ccc(N3CCOCC3)cc2)c1Cl ZINC000121300081 823158398 /nfs/dbraw/zinc/15/83/98/823158398.db2.gz MGBJIRNUAWBCRK-UHFFFAOYSA-N 1 2 390.959 4.114 20 10 GICDLO CCCCn1nc(C)c(C[N@@H+](C)Cc2ccc(N3CCOCC3)cc2)c1Cl ZINC000121300081 823158401 /nfs/dbraw/zinc/15/84/01/823158401.db2.gz MGBJIRNUAWBCRK-UHFFFAOYSA-N 1 2 390.959 4.114 20 10 GICDLO Cc1nc(CN2CCC(C[NH2+][C@@H](C)c3cc(Cl)ccc3O)CC2)oc1C ZINC000185430029 822782895 /nfs/dbraw/zinc/78/28/95/822782895.db2.gz ZHCPLSRWDDNPGF-AWEZNQCLSA-N 1 2 377.916 4.213 20 10 GICDLO CN(Cc1ccc(N2CCCCC2)cc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000044969793 821683968 /nfs/dbraw/zinc/68/39/68/821683968.db2.gz TVJBTWZZVVDBEY-UHFFFAOYSA-N 1 2 388.515 4.194 20 10 GICDLO C[C@@H]([NH2+]Cc1nccs1)c1cc(Br)cc(Br)c1O ZINC000185087648 822735090 /nfs/dbraw/zinc/73/50/90/822735090.db2.gz TWQJPHPFIOZGMU-SSDOTTSWSA-N 1 2 392.116 4.225 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)c1O ZINC000185387307 822776660 /nfs/dbraw/zinc/77/66/60/822776660.db2.gz QZQIWIPWGRZXCL-LBPRGKRZSA-N 1 2 385.851 4.073 20 10 GICDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@H](C)c1cc(Br)cc(F)c1O ZINC000185684373 822809931 /nfs/dbraw/zinc/80/99/31/822809931.db2.gz SHTHCIWJTWPIAV-QMTHXVAHSA-N 1 2 397.292 4.194 20 10 GICDLO CN(C)c1ccc(CNC(=O)C[NH+](Cc2cccs2)Cc2cccs2)cc1 ZINC000007245249 817802663 /nfs/dbraw/zinc/80/26/63/817802663.db2.gz OWGYNTIXPZTTSV-UHFFFAOYSA-N 1 2 399.585 4.194 20 10 GICDLO COc1ccc(N2CC[NH+](Cc3nc(-c4ccsc4)oc3C)CC2)cc1F ZINC000121992039 823290045 /nfs/dbraw/zinc/29/00/45/823290045.db2.gz NVIIIPNSXSAGMK-UHFFFAOYSA-N 1 2 387.480 4.181 20 10 GICDLO Cc1nnc([C@@H]([NH2+][C@@H](C)c2ccc(Br)cc2O)c2ccccc2)[nH]1 ZINC000185324844 822766250 /nfs/dbraw/zinc/76/62/50/822766250.db2.gz HQVOFQZZLRXAOL-GTNSWQLSSA-N 1 2 387.281 4.021 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](c2cnn(C)c2)c2ccc(F)cc2)c1O ZINC000185424259 822781981 /nfs/dbraw/zinc/78/19/81/822781981.db2.gz QGSBSWVPQYWHRE-IBGZPJMESA-N 1 2 387.842 4.000 20 10 GICDLO CC(C)[C@@H]([NH2+]Cc1c(O)ccc(Cl)c1F)c1nc(-c2cccnc2)no1 ZINC000190942495 823627990 /nfs/dbraw/zinc/62/79/90/823627990.db2.gz SSWBMNUJMCRBRD-MRXNPFEDSA-N 1 2 376.819 4.117 20 10 GICDLO COc1ccc(-c2nc(C[NH+]3CCN(c4ccc(OC)cc4)CC3)cs2)cc1 ZINC000007354529 817822540 /nfs/dbraw/zinc/82/25/40/817822540.db2.gz WQOSKDKGPYZYTP-UHFFFAOYSA-N 1 2 395.528 4.150 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000177365031 823445731 /nfs/dbraw/zinc/44/57/31/823445731.db2.gz PWSXOOCPVXBYTJ-VDBVYFBLSA-N 1 2 379.909 4.179 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000177365031 823445733 /nfs/dbraw/zinc/44/57/33/823445733.db2.gz PWSXOOCPVXBYTJ-VDBVYFBLSA-N 1 2 379.909 4.179 20 10 GICDLO Cc1nnc([C@H]([NH2+][C@@H](C)c2cc(Br)ccc2O)c2ccccc2)[nH]1 ZINC000185324132 822765983 /nfs/dbraw/zinc/76/59/83/822765983.db2.gz YFMPGNXYXRBNPD-APPDUMDISA-N 1 2 387.281 4.021 20 10 GICDLO Cc1nnc([C@H]([NH2+][C@H](C)c2ccc(Br)cc2O)c2ccccc2)[nH]1 ZINC000185324859 822766215 /nfs/dbraw/zinc/76/62/15/822766215.db2.gz HQVOFQZZLRXAOL-PIGZYNQJSA-N 1 2 387.281 4.021 20 10 GICDLO Cc1cc(C[NH2+][C@H](C)c2cc(Br)cc(Br)c2O)on1 ZINC000185357124 822770628 /nfs/dbraw/zinc/77/06/28/822770628.db2.gz VAKJCMFVZKHPJL-MRVPVSSYSA-N 1 2 390.075 4.064 20 10 GICDLO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](C)[C@H](n4cc[nH+]c4)C3)c2C)cc1 ZINC000123816911 823542976 /nfs/dbraw/zinc/54/29/76/823542976.db2.gz URWGTZKXDHBRCR-OPAMFIHVSA-N 1 2 392.503 4.023 20 10 GICDLO O=C1/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC(=S)N1CCc1cccs1 ZINC000170811092 823977628 /nfs/dbraw/zinc/97/76/28/823977628.db2.gz QIRGCEHNCSCXIO-SFQUDFHCSA-N 1 2 397.550 4.378 20 10 GICDLO Fc1ccc(C[NH+]2CCN(c3ccc(-c4nc5ccccc5o4)cc3)CC2)cn1 ZINC000095590811 136182359 /nfs/dbraw/zinc/18/23/59/136182359.db2.gz VQIPFMOEPPWFRZ-UHFFFAOYSA-N 1 2 388.446 4.351 20 10 GICDLO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000180573514 822704603 /nfs/dbraw/zinc/70/46/03/822704603.db2.gz NLOGNFGULIKKDX-SFHVURJKSA-N 1 2 381.394 4.302 20 10 GICDLO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3ccccc3C(F)(F)F)C2)c1O ZINC000180573514 822704604 /nfs/dbraw/zinc/70/46/04/822704604.db2.gz NLOGNFGULIKKDX-SFHVURJKSA-N 1 2 381.394 4.302 20 10 GICDLO COc1cc(C)cc(C[N@@H+]2CCO[C@@H](c3cccc(Br)c3)C2)c1O ZINC000164241116 823788655 /nfs/dbraw/zinc/78/86/55/823788655.db2.gz ZMEHHNWBIDCQRK-GOSISDBHSA-N 1 2 392.293 4.045 20 10 GICDLO COc1cc(C)cc(C[N@H+]2CCO[C@@H](c3cccc(Br)c3)C2)c1O ZINC000164241116 823788660 /nfs/dbraw/zinc/78/86/60/823788660.db2.gz ZMEHHNWBIDCQRK-GOSISDBHSA-N 1 2 392.293 4.045 20 10 GICDLO CCO[C@@H](C)c1nc(C[N@@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000120764850 823059733 /nfs/dbraw/zinc/05/97/33/823059733.db2.gz BEOGTWOALBNVIF-YJBOKZPZSA-N 1 2 376.522 4.127 20 10 GICDLO CCO[C@@H](C)c1nc(C[N@H+](Cc2ccccc2O)C[C@@H]2CCCO2)cs1 ZINC000120764850 823059740 /nfs/dbraw/zinc/05/97/40/823059740.db2.gz BEOGTWOALBNVIF-YJBOKZPZSA-N 1 2 376.522 4.127 20 10 GICDLO COc1ccc(N2C(=O)/C(=C\c3ccc(-n4cc[nH+]c4)cc3)SC2=S)cc1 ZINC000028963776 820377679 /nfs/dbraw/zinc/37/76/79/820377679.db2.gz HNJDAMISQYLVOY-LDADJPATSA-N 1 2 393.493 4.287 20 10 GICDLO O=C(NCc1ccn2cc[nH+]c2c1)N(Cc1ccccc1O)C1CCCCC1 ZINC000177776647 823524431 /nfs/dbraw/zinc/52/44/31/823524431.db2.gz HAWQDIFIEHNJKM-UHFFFAOYSA-N 1 2 378.476 4.084 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[NH2+][C@H](C)c2nc(Cc3ccccc3)no2)c1O ZINC000185387318 822776719 /nfs/dbraw/zinc/77/67/19/822776719.db2.gz QZQIWIPWGRZXCL-GFCCVEGCSA-N 1 2 385.851 4.073 20 10 GICDLO CC[N@H+](Cc1noc(-c2ccsc2)n1)Cc1cc(Br)ccc1O ZINC000174424753 822788196 /nfs/dbraw/zinc/78/81/96/822788196.db2.gz CWQKWCADNPTRHP-UHFFFAOYSA-N 1 2 394.294 4.288 20 10 GICDLO CC[N@@H+](Cc1noc(-c2ccsc2)n1)Cc1cc(Br)ccc1O ZINC000174424753 822788198 /nfs/dbraw/zinc/78/81/98/822788198.db2.gz CWQKWCADNPTRHP-UHFFFAOYSA-N 1 2 394.294 4.288 20 10 GICDLO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](C)[C@H](n4cc[nH+]c4)C3)c2C)cc1 ZINC000123816688 823542932 /nfs/dbraw/zinc/54/29/32/823542932.db2.gz URWGTZKXDHBRCR-KSFYIVLOSA-N 1 2 392.503 4.023 20 10 GICDLO C[C@@H](c1ccccc1)[N@H+](Cc1nnnn1-c1ccccc1)Cc1ccccc1O ZINC000176695483 823269852 /nfs/dbraw/zinc/26/98/52/823269852.db2.gz SBKQJQAOZDALPN-SFHVURJKSA-N 1 2 385.471 4.131 20 10 GICDLO C[C@@H](c1ccccc1)[N@@H+](Cc1nnnn1-c1ccccc1)Cc1ccccc1O ZINC000176695483 823269854 /nfs/dbraw/zinc/26/98/54/823269854.db2.gz SBKQJQAOZDALPN-SFHVURJKSA-N 1 2 385.471 4.131 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[N@@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000177365046 823445802 /nfs/dbraw/zinc/44/58/02/823445802.db2.gz PWSXOOCPVXBYTJ-YDBLSZJJSA-N 1 2 379.909 4.179 20 10 GICDLO CC(=O)c1cc(Cl)cc(C[N@H+](C)[C@H](C)c2ccc([S@](C)=O)cc2)c1O ZINC000177365046 823445805 /nfs/dbraw/zinc/44/58/05/823445805.db2.gz PWSXOOCPVXBYTJ-YDBLSZJJSA-N 1 2 379.909 4.179 20 10 GICDLO C[C@@H]([NH2+]Cc1nc(COc2ccccc2)n[nH]1)c1ccc(N2CCCCC2)cc1 ZINC000186432151 822894148 /nfs/dbraw/zinc/89/41/48/822894148.db2.gz MHXZRKMXFNBPGO-GOSISDBHSA-N 1 2 391.519 4.225 20 10 GICDLO COCCc1noc(C[N@H+](C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1 ZINC000122527098 823367224 /nfs/dbraw/zinc/36/72/24/823367224.db2.gz PGXPIYXMUJECEP-UHFFFAOYSA-N 1 2 389.540 4.191 20 10 GICDLO COCCc1noc(C[N@@H+](C)Cc2cc(C(C)(C)C)cc(C(C)(C)C)c2O)n1 ZINC000122527098 823367231 /nfs/dbraw/zinc/36/72/31/823367231.db2.gz PGXPIYXMUJECEP-UHFFFAOYSA-N 1 2 389.540 4.191 20 10 GICDLO COc1cc(C[N@H+](Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])cc1F ZINC000184256368 822604278 /nfs/dbraw/zinc/60/42/78/822604278.db2.gz ZGLJIDKXEZOPIT-UHFFFAOYSA-N 1 2 386.379 4.244 20 10 GICDLO COc1cc(C[N@@H+](Cc2ccco2)Cc2ccccc2O)c([N+](=O)[O-])cc1F ZINC000184256368 822604280 /nfs/dbraw/zinc/60/42/80/822604280.db2.gz ZGLJIDKXEZOPIT-UHFFFAOYSA-N 1 2 386.379 4.244 20 10 GICDLO Cc1nnc([C@H]([NH2+][C@H](C)c2cc(Br)ccc2O)c2ccccc2)[nH]1 ZINC000185324164 822766008 /nfs/dbraw/zinc/76/60/08/822766008.db2.gz YFMPGNXYXRBNPD-PIGZYNQJSA-N 1 2 387.281 4.021 20 10 GICDLO CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccc(F)cc3[O-])CC2)cs1 ZINC000185423166 822781826 /nfs/dbraw/zinc/78/18/26/822781826.db2.gz NUJXIUPHPZFXEB-CQSZACIVSA-N 1 2 377.529 4.113 20 10 GICDLO CC(C)c1nc2n(n1)CCC[C@@H]2[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185684315 822809747 /nfs/dbraw/zinc/80/97/47/822809747.db2.gz SHTHCIWJTWPIAV-HZMBPMFUSA-N 1 2 397.292 4.194 20 10 GICDLO CC(C)c1nc2n(n1)CCC[C@H]2[NH2+][C@@H](C)c1cc(Br)cc(F)c1O ZINC000185684337 822809788 /nfs/dbraw/zinc/80/97/88/822809788.db2.gz SHTHCIWJTWPIAV-IINYFYTJSA-N 1 2 397.292 4.194 20 10 GICDLO CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccc(F)cc3[O-])CC2)cs1 ZINC000185423144 822781763 /nfs/dbraw/zinc/78/17/63/822781763.db2.gz NUJXIUPHPZFXEB-AWEZNQCLSA-N 1 2 377.529 4.113 20 10 GICDLO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@@H](C)[C@@H](n4cc[nH+]c4)C3)c2C)cc1 ZINC000123817341 823543048 /nfs/dbraw/zinc/54/30/48/823543048.db2.gz URWGTZKXDHBRCR-ZHRRBRCNSA-N 1 2 392.503 4.023 20 10 GICDLO COc1cc(C)cc(C[N@@H+]2CCO[C@H](c3ccccc3Br)C2)c1O ZINC000164257144 823790438 /nfs/dbraw/zinc/79/04/38/823790438.db2.gz SPKNHPLBFWHLFW-SFHVURJKSA-N 1 2 392.293 4.045 20 10 GICDLO COc1cc(C)cc(C[N@H+]2CCO[C@H](c3ccccc3Br)C2)c1O ZINC000164257144 823790442 /nfs/dbraw/zinc/79/04/42/823790442.db2.gz SPKNHPLBFWHLFW-SFHVURJKSA-N 1 2 392.293 4.045 20 10 GICDLO COc1ccc([C@H](C)NC(=O)N(C)C2CC[NH+](c3ccc(OC)cc3)CC2)cc1 ZINC000359941368 212126204 /nfs/dbraw/zinc/12/62/04/212126204.db2.gz LNIGEURFLGXTKE-KRWDZBQOSA-N 1 2 397.519 4.075 20 10 GICDLO CC(C)(C)OC(=O)N1CCC(C)([NH2+]Cc2cccc(Br)c2O)CC1 ZINC000190005038 823524603 /nfs/dbraw/zinc/52/46/03/823524603.db2.gz CEGUEZNPAFJOIR-UHFFFAOYSA-N 1 2 399.329 4.034 20 10 GICDLO COc1cc(O)c(C[NH+](Cc2cccc(C)n2)Cc2cccc(C)n2)cc1OC ZINC000180698191 821401372 /nfs/dbraw/zinc/40/13/72/821401372.db2.gz VGSMQQHUYXZJJU-UHFFFAOYSA-N 1 2 393.487 4.019 20 10 GICDLO C[C@H]([NH2+]Cc1nccs1)c1cc(Br)cc(Br)c1O ZINC000185087633 822735080 /nfs/dbraw/zinc/73/50/80/822735080.db2.gz TWQJPHPFIOZGMU-ZETCQYMHSA-N 1 2 392.116 4.225 20 10 GICDLO Cc1cc(C[NH2+][C@@H](C)c2cc(Br)cc(Br)c2O)on1 ZINC000185357104 822770723 /nfs/dbraw/zinc/77/07/23/822770723.db2.gz VAKJCMFVZKHPJL-QMMMGPOBSA-N 1 2 390.075 4.064 20 10 GICDLO O=C(c1ccc(Cn2cc[nH+]c2)cc1)N(Cc1ccco1)Cc1ccccc1O ZINC000125299808 823666068 /nfs/dbraw/zinc/66/60/68/823666068.db2.gz NVRXCRMJBSYVBI-UHFFFAOYSA-N 1 2 387.439 4.073 20 10 GICDLO COc1ccccc1N1C(=O)/C(=C\c2ccc(-n3cc[nH+]c3)cc2)SC1=S ZINC000022226065 818784290 /nfs/dbraw/zinc/78/42/90/818784290.db2.gz JIZZLTHWKKSTIO-LDADJPATSA-N 1 2 393.493 4.287 20 10 GICDLO Cc1nc(CN2CCC(C[NH2+][C@H](C)c3cc(Cl)ccc3O)CC2)oc1C ZINC000185430048 822782859 /nfs/dbraw/zinc/78/28/59/822782859.db2.gz ZHCPLSRWDDNPGF-CQSZACIVSA-N 1 2 377.916 4.213 20 10 GICDLO COc1ccc(-n2c(C)cc(C(=O)N3CC[C@H](C)[C@@H](n4cc[nH+]c4)C3)c2C)cc1 ZINC000123817111 823542900 /nfs/dbraw/zinc/54/29/00/823542900.db2.gz URWGTZKXDHBRCR-AOMKIAJQSA-N 1 2 392.503 4.023 20 10 GICDLO