smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(N2CCN(C(=O)CCN3C(=O)c4ccccc4C3=O)CC2)cc1 ZINC000001134785 203887995 /nfs/dbraw/zinc/88/79/95/203887995.db2.gz OZIKGFURSYKOOG-UHFFFAOYSA-N 0 0 393.443 2.030 50 10 GECARN CCOC(=O)NC(=O)COC(=O)c1ccc(C(=O)C(=O)c2ccccc2)cc1 ZINC000003484837 204009646 /nfs/dbraw/zinc/00/96/46/204009646.db2.gz CDNBRQNNGCNEIC-UHFFFAOYSA-N 0 0 383.356 2.182 50 10 GECARN CCNc1nc2nnc(SCC(=O)Nc3cccc(F)c3)n2c(NCC)n1 ZINC000004570510 204054287 /nfs/dbraw/zinc/05/42/87/204054287.db2.gz CHSOCFARQKWEOX-UHFFFAOYSA-N 0 0 390.448 2.253 50 10 GECARN COc1ccc(N2CCN(C(=O)COC(=O)c3ccc(C=O)cc3)CC2)cc1 ZINC000005397682 204130637 /nfs/dbraw/zinc/13/06/37/204130637.db2.gz JDYWJUCDWJHJOL-UHFFFAOYSA-N 0 0 382.416 2.013 50 10 GECARN Cc1cc(C(=O)COC(=O)CN2C(=O)NC(C)(C)C2=O)c(C)n1-c1ccccc1 ZINC000006589589 204186162 /nfs/dbraw/zinc/18/61/62/204186162.db2.gz WZDHXINGVGLZBB-UHFFFAOYSA-N 0 0 397.431 2.150 50 10 GECARN Cc1cc(C(=O)CN2CCCCC2)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000007587414 204244044 /nfs/dbraw/zinc/24/40/44/204244044.db2.gz BLGHTIQZTDOUEY-UHFFFAOYSA-N 0 0 375.494 2.410 50 10 GECARN CC(C)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccc(N(C)C)cc1 ZINC000009528465 204314334 /nfs/dbraw/zinc/31/43/34/204314334.db2.gz IXZLNABNIQGHNE-KRWDZBQOSA-N 0 0 395.550 2.433 50 10 GECARN CCOc1ccccc1[C@H]1CC(=O)NC(NC(=O)c2cc(OC)cc(OC)c2)=N1 ZINC000020924877 204745905 /nfs/dbraw/zinc/74/59/05/204745905.db2.gz GAODENWSAMITKD-QGZVFWFLSA-N 0 0 397.431 2.450 50 10 GECARN COCC(=O)N(C)CC(=O)N1N=C(c2cccn2C)C[C@H]1c1ccc(C)cc1 ZINC000035960347 205000751 /nfs/dbraw/zinc/00/07/51/205000751.db2.gz LJWCSNWKWFKEIQ-IBGZPJMESA-N 0 0 382.464 2.116 50 10 GECARN COc1cc(/C=C2/SC(=S)N(CCN3CCOCC3)C2=O)cc(OC)c1 ZINC000098002416 206124095 /nfs/dbraw/zinc/12/40/95/206124095.db2.gz SHLHVNBCURIFEZ-LFIBNONCSA-N 0 0 394.518 2.237 50 10 GECARN CCN(CCO)C(=O)CCN1C(=O)/C(=C/c2ccc(OC)cc2)SC1=S ZINC000001265319 220483126 /nfs/dbraw/zinc/48/31/26/220483126.db2.gz FPVPPDQIBNJFPD-QINSGFPZSA-N 0 0 394.518 2.127 50 10 GECARN O=C1CN(c2ccc(CNc3ccc(S(=O)(=O)C(F)F)cc3)cc2)CCN1 ZINC000052049665 132439553 /nfs/dbraw/zinc/43/95/53/132439553.db2.gz UGIKPAGLAOOWOF-UHFFFAOYSA-N 0 0 395.431 2.231 50 10 GECARN COc1ccc(N2CCN(C(=O)NCC(=O)Nc3cccc(OC)c3)CC2)cc1 ZINC000072404429 536685134 /nfs/dbraw/zinc/68/51/34/536685134.db2.gz HRCLYWZHFJWJJZ-UHFFFAOYSA-N 0 0 398.463 2.174 50 10 GECARN Cc1ccccc1N1C(=O)C(=CNCCC[NH+]2CCCCC2)C(=O)[N-]C1=S ZINC000020266142 570250738 /nfs/dbraw/zinc/25/07/38/570250738.db2.gz FEIPDRLMKPOTRQ-JQIJEIRASA-N 0 0 386.521 2.092 50 10 GECARN COc1ccc(N2CCN(S(=O)(=O)c3ccccc3[N+](=O)[O-])CC2)cc1 ZINC000001166151 570252660 /nfs/dbraw/zinc/25/26/60/570252660.db2.gz XIWDDKGCDSRRGL-UHFFFAOYSA-N 0 0 377.422 2.114 50 10 GECARN CC1CCN(C2=NN3C(=NC(=O)/C(=C/c4ccc([N+](=O)[O-])o4)C3=N)S2)CC1 ZINC000020356721 570252991 /nfs/dbraw/zinc/25/29/91/570252991.db2.gz LNIBBWOGVQTRAK-UZTJDCKESA-N 0 0 388.409 2.496 50 10 GECARN Cc1cc(C(=O)COC(=O)[C@@H]2C[C@@H]2C)c(C)n1-c1ccc(S(N)(=O)=O)cc1 ZINC000006361282 570401553 /nfs/dbraw/zinc/40/15/53/570401553.db2.gz USJURONIWHYKAY-MEDUHNTESA-N 0 0 390.461 2.123 50 10 GECARN COc1ccc(/C=C2/SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c(OC)c1 ZINC000026458796 570425913 /nfs/dbraw/zinc/42/59/13/570425913.db2.gz BPWLGVCUWUIFQC-NGPAHMQLSA-N 0 0 399.515 2.092 50 10 GECARN C[C@H]1CCCN(c2ccc(CNC(=O)[C@H]3CCCN(S(C)(=O)=O)C3)cc2)C1 ZINC000241081866 570431120 /nfs/dbraw/zinc/43/11/20/570431120.db2.gz YRMXKAHIEGLKPX-WMZOPIPTSA-N 0 0 393.553 2.211 50 10 GECARN CCOc1ccc(/C=C2/SC(=S)N(CC(=O)N(CC)CCO)C2=O)cc1 ZINC000027530563 570435015 /nfs/dbraw/zinc/43/50/15/570435015.db2.gz WORXTCURMABDTH-RVDMUPIBSA-N 0 0 394.518 2.127 50 10 GECARN CCNC(=O)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 ZINC000005350338 570779028 /nfs/dbraw/zinc/77/90/28/570779028.db2.gz CZULILIMOAWWJC-FQEVSTJZSA-N 0 0 380.492 2.109 50 10 GECARN Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3CCOCC3)C2=O)cc1 ZINC000013800346 570791205 /nfs/dbraw/zinc/79/12/05/570791205.db2.gz AKQWBWJMQJTQQM-QINSGFPZSA-N 0 0 376.503 2.445 50 10 GECARN COC(=O)[C@H](NC(=O)CCc1nc(-c2cccs2)no1)c1ccccc1O ZINC000170600546 570858711 /nfs/dbraw/zinc/85/87/11/570858711.db2.gz MZGULKQEYSILJJ-MRXNPFEDSA-N 0 0 387.417 2.467 50 10 GECARN Cn1cnc(CNC(=O)NC[C@@H]2CCN(c3ccc(OC(F)(F)F)cc3)C2)n1 ZINC000367226350 570945862 /nfs/dbraw/zinc/94/58/62/570945862.db2.gz KLUMNODOTRHCPU-LBPRGKRZSA-N 0 0 398.389 2.039 50 10 GECARN COc1ccc(N2CCN([C@@H]3CC(=O)N(CCc4ccccc4)C3=O)CC2)cc1 ZINC000018122931 570950707 /nfs/dbraw/zinc/95/07/07/570950707.db2.gz HBEKVQIOLFSAQH-OAQYLSRUSA-N 0 0 393.487 2.187 50 10 GECARN CCOc1ccccc1/C=C1/SC(=S)N([C@@H]2CCS(=O)(=O)C2)C1=O ZINC000001164299 642320488 /nfs/dbraw/zinc/32/04/88/642320488.db2.gz ONQRAXXNQSDLBC-ZMTLZGASSA-N 0 0 383.516 2.474 50 10 GECARN O=C1/C(=C/c2cccc([N+](=O)[O-])c2)SC(=S)N1CCN1CCOCC1 ZINC000012922860 642373975 /nfs/dbraw/zinc/37/39/75/642373975.db2.gz PGWNQHDKYRJAJX-KAMYIIQDSA-N 0 0 379.463 2.128 50 10 GECARN COc1cc(OC)c(C=C2C(=O)N(C)C(=S)N(C)C2=O)cc1Br ZINC000002785223 531505464 /nfs/dbraw/zinc/50/54/64/531505464.db2.gz YYCVOTNVIBLVNP-UHFFFAOYSA-N 0 0 399.266 2.065 50 10 GECARN CN(C)c1ccc(CN(C)C(=O)CNC(=O)c2ccc(Br)o2)cc1 ZINC000018150641 531575041 /nfs/dbraw/zinc/57/50/41/531575041.db2.gz HPGRZVCFGYFZHD-UHFFFAOYSA-N 0 0 394.269 2.497 50 10 GECARN COC(=O)C1=C(C)N(C[C@@H]2CCCO2)C(=O)/C1=C\c1ccc(C(=O)OC)cc1 ZINC000000849749 203859257 /nfs/dbraw/zinc/85/92/57/203859257.db2.gz PNVQUNVZMYRQHS-FDIDWWNZSA-N 0 0 385.416 2.325 50 10 GECARN O=C(CCN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)N1CCOCC1 ZINC000001009677 203872828 /nfs/dbraw/zinc/87/28/28/203872828.db2.gz MXELWEDWZSHGRP-SDNWHVSQSA-N 0 0 380.466 2.276 50 10 GECARN COC(=O)CN1C(=O)N/C(=C/c2cc(C)n(-c3ccc(N(C)C)cc3)c2C)C1=O ZINC000004748611 204073016 /nfs/dbraw/zinc/07/30/16/204073016.db2.gz GTHSLRNUCQTZTQ-WOJGMQOQSA-N 0 0 396.447 2.226 50 10 GECARN Cn1cnnc1SCC(=O)Nc1cccc2c1C(=O)c1ccccc1C2=O ZINC000004819799 204079130 /nfs/dbraw/zinc/07/91/30/204079130.db2.gz JMOUSXFXTKPFRZ-UHFFFAOYSA-N 0 0 378.413 2.321 50 10 GECARN COc1cc(/C=C2/C(=N)N3C(SC)=NSC3=NC2=O)cc(OC)c1O ZINC000004825844 204079726 /nfs/dbraw/zinc/07/97/26/204079726.db2.gz BDSIMDPEOULINC-SIGQQKMXSA-N 0 0 378.435 2.349 50 10 GECARN CCOC(=O)CN1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2C)C1=O ZINC000004457217 204046059 /nfs/dbraw/zinc/04/60/59/204046059.db2.gz RJODRXOXSKAXOE-LFIBNONCSA-N 0 0 390.461 2.431 50 10 GECARN COC(=O)[C@@H](C)N1C(=O)S/C(=C/c2ccc(N3CCOCC3)cc2)C1=O ZINC000004687960 204063867 /nfs/dbraw/zinc/06/38/67/204063867.db2.gz QVGXATUJAZMENB-PKVLTRFUSA-N 0 0 376.434 2.121 50 10 GECARN COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OC(=O)c1ccc(C)cc1 ZINC000005102497 204112513 /nfs/dbraw/zinc/11/25/13/204112513.db2.gz IPVKSPIPUYFTRS-UHFFFAOYSA-N 0 0 396.424 2.137 50 10 GECARN CC(=O)N1CCN(C2=NC(=O)C(=Cc3c[nH]nc3-c3ccccc3)S2)CC1 ZINC000005248504 204121428 /nfs/dbraw/zinc/12/14/28/204121428.db2.gz MUIUWGXCLNBYIN-WJDWOHSUSA-N 0 0 381.461 2.211 50 10 GECARN CC(C)c1ccc(/C=C2\C(=N)N3N=C(S(C)(=O)=O)SC3=NC2=O)cc1 ZINC000004971168 204098015 /nfs/dbraw/zinc/09/80/15/204098015.db2.gz MNHSOUXSUAZOJH-NLFVLIHZSA-N 0 0 376.463 2.431 50 10 GECARN CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)NCc1ccc(N(C)C)cc1 ZINC000006901789 204222926 /nfs/dbraw/zinc/22/29/26/204222926.db2.gz JVWJRXQGNKICKA-UHFFFAOYSA-N 0 0 379.482 2.353 50 10 GECARN COc1cc(C=C2C(=O)NC(=S)NC2=O)ccc1OCc1ccc(F)cc1 ZINC000009165782 204300631 /nfs/dbraw/zinc/30/06/31/204300631.db2.gz WZTVERBJPIETBK-UHFFFAOYSA-N 0 0 386.404 2.328 50 10 GECARN O=C(CN1C(=O)S/C(=C\c2ccco2)C1=O)NCCc1ccc(O)c(O)c1 ZINC000013572570 204496366 /nfs/dbraw/zinc/49/63/66/204496366.db2.gz IKSVZIYVXZLZLG-DHDCSXOGSA-N 0 0 388.401 2.086 50 10 GECARN Cc1ccc2c(c1)/C(=C1\SC(=S)N(NC(=O)c3ccncc3)C1=O)C(=O)N2 ZINC000038166610 205035189 /nfs/dbraw/zinc/03/51/89/205035189.db2.gz DTJABVKVEHHHQL-BUHFOSPRSA-N 0 0 396.453 2.259 50 10 GECARN COc1cc(/C=C2/SC(=S)N(CCO)C2=O)cc(Br)c1O ZINC000082087382 205079185 /nfs/dbraw/zinc/07/91/85/205079185.db2.gz PWBQFWFINWHAEJ-UXBLZVDNSA-N 0 0 390.280 2.357 50 10 GECARN COc1ccc(F)cc1S(=O)(=O)NCc1ccc(N2CCOCC2)cc1 ZINC000065362518 205229992 /nfs/dbraw/zinc/22/99/92/205229992.db2.gz INVMOOJBACSDDY-UHFFFAOYSA-N 0 0 380.441 2.149 50 10 GECARN CCOc1cc([N+](=O)[O-])c(N2CCN(C(=O)[C@H]3CCCO3)CC2)cc1OCC ZINC000225489894 206051647 /nfs/dbraw/zinc/05/16/47/206051647.db2.gz HUBNTRLJXULROB-MRXNPFEDSA-N 0 0 393.440 2.220 50 10 GECARN COc1ccc(OCCOc2ccc(C=C3C(=O)NC(=S)NC3=O)cc2)cc1 ZINC000002977516 206212199 /nfs/dbraw/zinc/21/21/99/206212199.db2.gz ANHSRBVQMKPJAC-UHFFFAOYSA-N 0 0 398.440 2.067 50 10 GECARN COc1ccc(N2CCN([C@H](C)C(=O)NCc3ccc4c(c3)OCO4)CC2)cc1 ZINC000039561427 132391642 /nfs/dbraw/zinc/39/16/42/132391642.db2.gz WDWOCMBWFDXVFJ-MRXNPFEDSA-N 0 0 397.475 2.251 50 10 GECARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)c1cc2c([nH]c1=O)CCCC2=O ZINC000040039695 132392721 /nfs/dbraw/zinc/39/27/21/132392721.db2.gz FMJBJMRFCJWXIJ-UHFFFAOYSA-N 0 0 395.459 2.003 50 10 GECARN NC(=O)c1ccc(N2C=C(C(=O)N3CCCC3)S(=O)(=O)c3ccccc32)cc1 ZINC000065096211 136159099 /nfs/dbraw/zinc/15/90/99/136159099.db2.gz OWUVHNUGOLWAGO-UHFFFAOYSA-N 0 0 397.456 2.175 50 10 GECARN C[C@H]1CCCN(c2ccc(CNC(=O)[C@@H]3CCCN(S(C)(=O)=O)C3)cc2)C1 ZINC000072437211 136170458 /nfs/dbraw/zinc/17/04/58/136170458.db2.gz YRMXKAHIEGLKPX-FUHWJXTLSA-N 0 0 393.553 2.211 50 10 GECARN COC(=O)c1ccc(-n2c(C)cc(C=C3C(=O)NC(=S)N(C)C3=O)c2C)cc1 ZINC000000980541 570232934 /nfs/dbraw/zinc/23/29/34/570232934.db2.gz ZMADKXRBZFBKCR-MHWRWJLKSA-N 0 0 397.456 2.137 50 10 GECARN N=C1/C(=C\c2c[nH]c3ccccc23)C(=O)N=C2SC(N3CCOCC3)=NN21 ZINC000020356632 570253132 /nfs/dbraw/zinc/25/31/32/570253132.db2.gz DMXHYNXOVZJIEH-VOPKFQMRSA-N 0 0 380.433 2.077 50 10 GECARN CCC(=O)N1CCC(CNC=C2C(=O)N(c3ccc([N+](=O)[O-])cc3)N=C2C)CC1 ZINC000104095481 570297738 /nfs/dbraw/zinc/29/77/38/570297738.db2.gz MXDXHNJVZFIBFV-QGOAFFKASA-N 0 0 399.451 2.439 50 10 GECARN O=C(CSc1nc2ccccc2c(=O)n1CCCO)c1ccc(O)c(O)c1 ZINC000023939704 570375528 /nfs/dbraw/zinc/37/55/28/570375528.db2.gz FYFWTGXRRPIAIW-UHFFFAOYSA-N 0 0 386.429 2.165 50 10 GECARN COc1ccc(N2CCN(C(=O)CCn3cnc4ccsc4c3=O)CC2)cc1 ZINC000026117792 570422495 /nfs/dbraw/zinc/42/24/95/570422495.db2.gz BCGVCSGQXQXINM-UHFFFAOYSA-N 0 0 398.488 2.206 50 10 GECARN CN(C)c1ccc([C@@H](CNC(=O)c2cccc([N+](=O)[O-])c2)N2CCOCC2)cc1 ZINC000022664750 570487606 /nfs/dbraw/zinc/48/76/06/570487606.db2.gz OHROYBITFKHWIW-HXUWFJFHSA-N 0 0 398.463 2.464 50 10 GECARN CN1CCc2cc([C@@H](CNC(=O)Cc3cccs3)N3CCOCC3)ccc21 ZINC000022733315 570540897 /nfs/dbraw/zinc/54/08/97/570540897.db2.gz QZBBSHRKFUFUNW-HXUWFJFHSA-N 0 0 385.533 2.473 50 10 GECARN COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)CCN3C)N2CCOCC2)cc1 ZINC000022733184 570540970 /nfs/dbraw/zinc/54/09/70/570540970.db2.gz UNZVYYOFVCRMET-JOCHJYFZSA-N 0 0 395.503 2.491 50 10 GECARN CC(C)NC(=O)C(=O)NC[C@H](c1ccc(N(C)C)cc1)N1CCc2ccccc21 ZINC000005350348 570563036 /nfs/dbraw/zinc/56/30/36/570563036.db2.gz FZQIUKDPGKXQKY-OAQYLSRUSA-N 0 0 394.519 2.497 50 10 GECARN COc1ccc(N2CCN(c3nc4ccccc4c(NCCO)n3)CC2)cc1 ZINC000041150067 570615501 /nfs/dbraw/zinc/61/55/01/570615501.db2.gz NQHJKHHTQPGCIW-UHFFFAOYSA-N 0 0 379.464 2.369 50 10 GECARN COc1ccc(N(CCC(N)=O)CC(=O)N[C@@H](C)c2ccccc2OC)cc1 ZINC000012802841 570717977 /nfs/dbraw/zinc/71/79/77/570717977.db2.gz MDEMHBVEQMQSOC-HNNXBMFYSA-N 0 0 385.464 2.263 50 10 GECARN O=C1/C(=C/c2nc3ccccc3[nH]2)SC(=S)N1CCCN1CCOCC1 ZINC000013228181 570751030 /nfs/dbraw/zinc/75/10/30/570751030.db2.gz ZBVVWVMNCJVREP-QINSGFPZSA-N 0 0 388.518 2.486 50 10 GECARN COc1ccc(N2CCN([C@@H]3CC(=O)N(c4cccc(OC)c4)C3=O)CC2)cc1 ZINC000018181245 570951086 /nfs/dbraw/zinc/95/10/86/570951086.db2.gz KVUFQIHEKHMFOT-HXUWFJFHSA-N 0 0 395.459 2.158 50 10 GECARN CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc(Br)c1 ZINC000013656444 531561196 /nfs/dbraw/zinc/56/11/96/531561196.db2.gz VFKYIYPHAKFYBS-IAOKNECISA-N 0 0 398.282 2.150 50 10 GECARN COc1ccc(N2CCN(C(=O)CCn3cc(Br)cn3)CC2)cc1 ZINC000001012132 203873175 /nfs/dbraw/zinc/87/31/75/203873175.db2.gz 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COc1ccc(N2CCN(C(=O)COC(=O)c3cccnc3Cl)CC2)cc1 ZINC000003555454 204012551 /nfs/dbraw/zinc/01/25/51/204012551.db2.gz HTQKZFGMQMVXKQ-UHFFFAOYSA-N 0 0 389.839 2.249 50 10 GECARN CC(=O)OC(OC(C)=O)c1ccc2c(c1[N+](=O)[O-])C(=O)c1ccccc1C2=O ZINC000003844575 204020318 /nfs/dbraw/zinc/02/03/18/204020318.db2.gz SIYMDRCJJBFZSH-UHFFFAOYSA-N 0 0 383.312 2.495 50 10 GECARN Cc1cc(C(=O)OCC(=O)N2CCC(C(N)=O)CC2)c(C)n1-c1ccccc1C ZINC000004270470 204035704 /nfs/dbraw/zinc/03/57/04/204035704.db2.gz PCLZMWOATZTOBJ-UHFFFAOYSA-N 0 0 397.475 2.283 50 10 GECARN CCOCCCNC(=O)c1ccc2c(c1NCCO)C(=O)c1ccccc1C2=O ZINC000004820006 204079903 /nfs/dbraw/zinc/07/99/03/204079903.db2.gz XLNHPBORXMHVAH-UHFFFAOYSA-N 0 0 396.443 2.023 50 10 GECARN COc1ccc(C2=NN(c3ccc(OC)cc3)C(=O)C2=C(C)NCCO)cc1 ZINC000004999683 204100825 /nfs/dbraw/zinc/10/08/25/204100825.db2.gz DLQFHGFVRPFGKJ-RGEXLXHISA-N 0 0 381.432 2.311 50 10 GECARN COc1ccc([C@@H]2CC(=O)NC(NC(=O)c3ccc(OC)c(OC)c3)=N2)cc1 ZINC000006817942 204212016 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COc1ccc(N2CCN(C(=O)c3cc(-c4c(C)nn(C)c4C)n[nH]3)CC2)cc1 ZINC000095476832 136179537 /nfs/dbraw/zinc/17/95/37/136179537.db2.gz ZUEHSSDIHXXFAB-UHFFFAOYSA-N 0 0 394.479 2.398 50 10 GECARN CN(C)c1ccc(CNC(=O)c2ccc3ncnc(N4CCOCC4)c3c2)cc1 ZINC000096400006 136187093 /nfs/dbraw/zinc/18/70/93/136187093.db2.gz GRUPFVZVCSLKHW-UHFFFAOYSA-N 0 0 391.475 2.462 50 10 GECARN COc1ccc(N2CCN(C[C@@H](O)COc3ccc([N+](=O)[O-])cc3)CC2)cc1 ZINC000000719709 524426605 /nfs/dbraw/zinc/42/66/05/524426605.db2.gz ZMYQOCUQGBQAIG-GOSISDBHSA-N 0 0 387.436 2.165 50 10 GECARN COc1ccc(N2CCN(C(=O)CSC(=S)N3CCCC3)CC2)cc1 ZINC000071794581 536681907 /nfs/dbraw/zinc/68/19/07/536681907.db2.gz PGKLGKAWOWVAIP-UHFFFAOYSA-N 0 0 379.551 2.458 50 10 GECARN COc1ccc(N2CCN(C(=O)CS(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000016577866 536682964 /nfs/dbraw/zinc/68/29/64/536682964.db2.gz ZTSZUHSZFPTWBC-UHFFFAOYSA-N 0 0 388.489 2.126 50 10 GECARN COC(=O)c1ccc(F)c(S(=O)(=O)NCc2ccc3c(c2)CCCN3C)c1 ZINC000058511061 536721968 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391.518 2.178 50 10 GECARN COc1ccc(/C=C2\SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c(OC)c1 ZINC000013645165 221278403 /nfs/dbraw/zinc/27/84/03/221278403.db2.gz BPWLGVCUWUIFQC-DKTFCQPKSA-N 0 0 399.515 2.092 50 10 GECARN CCOC(=O)C1=C(C)N(CCOC)C(=O)/C1=C/c1cc(OC)ccc1OC ZINC000013402964 221267672 /nfs/dbraw/zinc/26/76/72/221267672.db2.gz ZREKWWMLGTVAMR-FOWTUZBSSA-N 0 0 375.421 2.413 50 10 GECARN CC1=NN([C@H]2CCS(=O)(=O)C2)C(=O)C1=CNc1cccc(C(F)(F)F)c1 ZINC000013654463 221279537 /nfs/dbraw/zinc/27/95/37/221279537.db2.gz RAYMJJDLDZNHET-IAOKNECISA-N 0 0 387.383 2.406 50 10 GECARN CN(Cc1ccc(N2CCOCC2)cc1)C(=O)CCn1c2ccccc2oc1=O ZINC000016134932 221356997 /nfs/dbraw/zinc/35/69/97/221356997.db2.gz RXQKMFMKRNTGRO-UHFFFAOYSA-N 0 0 395.459 2.480 50 10 GECARN COc1cc(C=C2SC(=S)NC2=O)cc(Cl)c1OS(C)(=O)=O ZINC000016192967 221358539 /nfs/dbraw/zinc/35/85/39/221358539.db2.gz DQZWQQCYIUTRTL-UITAMQMPSA-N 0 0 379.868 2.176 50 10 GECARN Cc1ccc(NC(=S)NNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c(C)c1 ZINC000016218262 221359480 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