smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O[C@@H]1C[N@H+](CCCn2cccn2)C[C@H]1Cc1ccc2ccccc2n1 ZINC001529142227 1121338589 /nfs/dbraw/zinc/33/85/89/1121338589.db2.gz HXEDISRBNNTLDU-YLJYHZDGSA-N 1 0 336.439 2.357 50 0 EEAARO Cc1nc2ccsc2c(N2CCN(C[C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000091594664 282094492 /nfs/dbraw/zinc/09/44/92/282094492.db2.gz FLASGYUDYLAPLL-OAHLLOKOSA-N 1 0 345.516 2.464 50 0 EEAARO Cc1nn(C)c2nc(N3CCC([NH+]4CCSCC4)CC3)sc12 ZINC000095510317 282285168 /nfs/dbraw/zinc/28/51/68/282285168.db2.gz XJUWBMJVCWENSZ-UHFFFAOYSA-N 1 0 337.518 2.356 50 0 EEAARO Cn1nccc1CC[N@@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685940949 539989246 /nfs/dbraw/zinc/98/92/46/539989246.db2.gz LNNMFKSZZKUMNI-KSSFIOAISA-N 1 0 327.432 2.277 50 0 EEAARO OCCc1cn(CC2CC[NH+](Cc3cccc(F)c3F)CC2)nn1 ZINC000019782534 202020352 /nfs/dbraw/zinc/02/03/52/202020352.db2.gz PNENEHKJQNFEKZ-UHFFFAOYSA-N 1 0 336.386 2.003 50 0 EEAARO OCC[C@H]1C[N@@H+](C2CCSCC2)CCN1CCc1ccccc1 ZINC000019792682 202020990 /nfs/dbraw/zinc/02/09/90/202020990.db2.gz GNEVDIPUCCLAMV-IBGZPJMESA-N 1 0 334.529 2.493 50 0 EEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000019889479 202025767 /nfs/dbraw/zinc/02/57/67/202025767.db2.gz SSUYIMLTMGYSGL-GOSISDBHSA-N 1 0 338.407 2.468 50 0 EEAARO O=c1nc(CN2CC[NH2+]CC2)[nH]c2scc(-c3cccs3)c21 ZINC000020268181 202036724 /nfs/dbraw/zinc/03/67/24/202036724.db2.gz OADLEHUQERTNMU-UHFFFAOYSA-N 1 0 332.454 2.118 50 0 EEAARO CC(C)=CC[N@@H+]1CCN(Cc2cccc3nccnc23)C[C@@H]1CCO ZINC000020451220 202042887 /nfs/dbraw/zinc/04/28/87/202042887.db2.gz WEWSHWSUAWHDDR-SFHVURJKSA-N 1 0 340.471 2.465 50 0 EEAARO Cc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)nc1 ZINC000020901772 202057080 /nfs/dbraw/zinc/05/70/80/202057080.db2.gz KNWZBYKFNZDJGN-UHFFFAOYSA-N 1 0 327.388 2.063 50 0 EEAARO O[C@H](C[NH2+]C[C@@H](c1ccco1)N1CCCC1)COc1ccccc1 ZINC000022029670 202077309 /nfs/dbraw/zinc/07/73/09/202077309.db2.gz AEPMCVPISXPVSO-AEFFLSMTSA-N 1 0 330.428 2.446 50 0 EEAARO O=C(CN1CC[NH+](C2CCCCC2)CC1)Nc1cccc2nonc21 ZINC000022752054 202091373 /nfs/dbraw/zinc/09/13/73/202091373.db2.gz HTVQWPIAUPLZHO-UHFFFAOYSA-N 1 0 343.431 2.112 50 0 EEAARO Cc1cc(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)no1 ZINC000023355092 202103688 /nfs/dbraw/zinc/10/36/88/202103688.db2.gz BFIBTGCFULRKED-UHFFFAOYSA-N 1 0 328.416 2.129 50 0 EEAARO C[C@H](c1ccccc1)[N@H+](C)CCOc1ccc(S(N)(=O)=O)cc1 ZINC000024686441 202119138 /nfs/dbraw/zinc/11/91/38/202119138.db2.gz AONCGJVWTHJQOV-CQSZACIVSA-N 1 0 334.441 2.406 50 0 EEAARO COc1ccc(C[NH2+]Cc2cccnc2N2CCOCC2)cc1OC ZINC000030901548 202199990 /nfs/dbraw/zinc/19/99/90/202199990.db2.gz IKUKNRXVZPHQHM-UHFFFAOYSA-N 1 0 343.427 2.225 50 0 EEAARO Cc1cc(NC(=O)CN2CCC[N@H+](Cc3cccs3)CC2)on1 ZINC000030212316 202193577 /nfs/dbraw/zinc/19/35/77/202193577.db2.gz NDMCJGQAEMWNEK-UHFFFAOYSA-N 1 0 334.445 2.191 50 0 EEAARO COc1ccccc1[C@@H]1C[NH2+]C[C@@H]1C(=O)NCc1ccc(F)cc1 ZINC000036039205 202312842 /nfs/dbraw/zinc/31/28/42/202312842.db2.gz TUPRQXFQSIASRE-IRXDYDNUSA-N 1 0 328.387 2.454 50 0 EEAARO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)nc2ccccn12 ZINC000022780158 212323090 /nfs/dbraw/zinc/32/30/90/212323090.db2.gz FOFIFMBFKHGZJG-UHFFFAOYSA-N 1 0 334.423 2.012 50 0 EEAARO Cc1ccc(CCNC(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)cc1 ZINC000426425465 241285880 /nfs/dbraw/zinc/28/58/80/241285880.db2.gz OXKQIFXUEZCAJY-LJQANCHMSA-N 1 0 345.487 2.026 50 0 EEAARO COc1cc(C(=O)N2CCC[C@@H](CSC)C2)ccc1OCC[NH3+] ZINC000426548872 241309731 /nfs/dbraw/zinc/30/97/31/241309731.db2.gz SMNRVGIWIVFXPS-CYBMUJFWSA-N 1 0 338.473 2.248 50 0 EEAARO O=C(NCC[C@@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(O)CC1 ZINC000426584169 241312710 /nfs/dbraw/zinc/31/27/10/241312710.db2.gz XNTQTORTZOZLCH-QGZVFWFLSA-N 1 0 331.460 2.065 50 0 EEAARO Nc1nnc([C@H](NC(=O)CC[NH+]2CCCCC2)c2ccccc2)s1 ZINC000219123733 241367235 /nfs/dbraw/zinc/36/72/35/241367235.db2.gz ZETGZJHJFHZILS-OAHLLOKOSA-N 1 0 345.472 2.202 50 0 EEAARO COc1cc(/C=C2/SC(=O)N(CC[NH3+])C2=O)ccc1OC(F)F ZINC000003886893 201583630 /nfs/dbraw/zinc/58/36/30/201583630.db2.gz MKKRLCCRRIIJKB-YRNVUSSQSA-N 1 0 344.339 2.292 50 0 EEAARO Cc1ccc2c(c1)c(C(=O)N1CCC3(C1)CC[NH+](C)CC3)nn2C ZINC000065395118 202842006 /nfs/dbraw/zinc/84/20/06/202842006.db2.gz PUVHTIBPRCHFRT-UHFFFAOYSA-N 1 0 326.444 2.440 50 0 EEAARO CC(C)CN(Cc1ccco1)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067458780 202915090 /nfs/dbraw/zinc/91/50/90/202915090.db2.gz AEWXLJBCWPNNPF-OAHLLOKOSA-N 1 0 345.447 2.169 50 0 EEAARO CC[C@H]1C[N@H+](CCN2CCCC2=O)CCC(=O)N1Cc1ccccc1 ZINC000071405818 203095050 /nfs/dbraw/zinc/09/50/50/203095050.db2.gz PXDWDIRLWSTJML-SFHVURJKSA-N 1 0 343.471 2.122 50 0 EEAARO O=c1n(Cc2cscn2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000071748852 203106054 /nfs/dbraw/zinc/10/60/54/203106054.db2.gz XVVMCCDLYBPFFY-ZDUSSCGKSA-N 1 0 341.440 2.006 50 0 EEAARO Cc1cc(CC(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)on1 ZINC000072153868 203175183 /nfs/dbraw/zinc/17/51/83/203175183.db2.gz QXJVYEJMNOYFRZ-GOSISDBHSA-N 1 0 339.439 2.227 50 0 EEAARO COC[C@H]1CCN(c2nc(C3CCCC3)nc3c2CC[NH2+]CC3)C1 ZINC000072436500 203224916 /nfs/dbraw/zinc/22/49/16/203224916.db2.gz WQFZTBXTBDFDRA-AWEZNQCLSA-N 1 0 330.476 2.295 50 0 EEAARO c1cn(Cc2cnc3c(c2)CCC3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072420058 203218562 /nfs/dbraw/zinc/21/85/62/203218562.db2.gz IMOFZUXMRDQCBF-UHFFFAOYSA-N 1 0 334.427 2.172 50 0 EEAARO Cc1nc2c(c(NCCc3nc4c(s3)CCCC4)n1)CC[NH2+]CC2 ZINC000072426642 203221337 /nfs/dbraw/zinc/22/13/37/203221337.db2.gz DDRZAXGEFBMGHA-UHFFFAOYSA-N 1 0 343.500 2.463 50 0 EEAARO COc1cccc(OC[C@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000019794765 212069191 /nfs/dbraw/zinc/06/91/91/212069191.db2.gz XPTMIANDLJCJSL-GOSISDBHSA-N 1 0 342.439 2.257 50 0 EEAARO Cc1nc2ccccn2c1CN1CC[C@](O)(C[NH+]2CCCCC2)C1 ZINC000077377111 203383592 /nfs/dbraw/zinc/38/35/92/203383592.db2.gz KRLQHMQGIWZYFZ-IBGZPJMESA-N 1 0 328.460 2.065 50 0 EEAARO c1cncc(CN2CCC([NH2+][C@@H]3CCOC4(CCOCC4)C3)CC2)c1 ZINC000077424936 203388785 /nfs/dbraw/zinc/38/87/85/203388785.db2.gz GHRBZAQMBVRNLP-LJQANCHMSA-N 1 0 345.487 2.364 50 0 EEAARO c1cnc(OC2CC[NH+]([C@H]3CCOC4(CCOCC4)C3)CC2)nc1 ZINC000077539654 203394680 /nfs/dbraw/zinc/39/46/80/203394680.db2.gz IDYRNWFNYUGNJY-HNNXBMFYSA-N 1 0 333.432 2.048 50 0 EEAARO O=c1cc(C[NH+]2CCCCC2)nc2[nH]c(NCc3cccs3)nn21 ZINC000101797071 204022746 /nfs/dbraw/zinc/02/27/46/204022746.db2.gz WDQLZZYIDSKHGQ-UHFFFAOYSA-N 1 0 344.444 2.077 50 0 EEAARO C[N@@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@@]12CCNC(=O)CC2 ZINC000107400581 204234852 /nfs/dbraw/zinc/23/48/52/204234852.db2.gz RLJYWRLBGPCILV-QGZVFWFLSA-N 1 0 339.842 2.265 50 0 EEAARO Cc1ccc(F)c(C(=O)N2CC[C@@H](N3CC[NH+](C)CC3)C2)c1Cl ZINC000299775511 258085806 /nfs/dbraw/zinc/08/58/06/258085806.db2.gz GGAYXTWREIZVQQ-CYBMUJFWSA-N 1 0 339.842 2.249 50 0 EEAARO CNC(=O)[C@H](NC(=O)CC[NH+]1CCCCCCC1)c1ccccc1 ZINC000299781461 258089931 /nfs/dbraw/zinc/08/99/31/258089931.db2.gz WXGVXYVYRUQRGG-GOSISDBHSA-N 1 0 331.460 2.246 50 0 EEAARO O=C([C@@H]1CCC[NH2+]CC1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000299795084 258099569 /nfs/dbraw/zinc/09/95/69/258099569.db2.gz KGTNWDQSZIPVER-MRXNPFEDSA-N 1 0 335.879 2.374 50 0 EEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1cccc(-c2ncc[nH]2)c1 ZINC000299800455 258103574 /nfs/dbraw/zinc/10/35/74/258103574.db2.gz WSUWPLULSJZRED-IRXDYDNUSA-N 1 0 340.427 2.060 50 0 EEAARO CC(C)C[N@@H+]1CCCC[C@H]1CCNC(=O)c1cccn2cnnc12 ZINC000299758883 258076669 /nfs/dbraw/zinc/07/66/69/258076669.db2.gz LHWNUFUUANUXFX-HNNXBMFYSA-N 1 0 329.448 2.360 50 0 EEAARO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000374913472 167066912 /nfs/dbraw/zinc/06/69/12/167066912.db2.gz LNCQNWHXDYFPSM-CVEARBPZSA-N 1 0 342.370 2.430 50 0 EEAARO C[N@@H+]1CCCN(C(=O)c2ccccc2I)CC1 ZINC000003258780 277050981 /nfs/dbraw/zinc/05/09/81/277050981.db2.gz LYNCIXXSVWKSPO-UHFFFAOYSA-N 1 0 344.196 2.069 50 0 EEAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000244701090 281391896 /nfs/dbraw/zinc/39/18/96/281391896.db2.gz KAARMWJPOIBHJG-HNNXBMFYSA-N 1 0 338.455 2.426 50 0 EEAARO C[NH+](C)C[C@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C1 ZINC000129414674 323327955 /nfs/dbraw/zinc/32/79/55/323327955.db2.gz KHRCUUKHMJFFHQ-QGZVFWFLSA-N 1 0 341.459 2.008 50 0 EEAARO CC[C@H](C)[NH+]1CCN(C(=O)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000000115841 462543159 /nfs/dbraw/zinc/54/31/59/462543159.db2.gz DEJAEAQWCBDHQC-ZDUSSCGKSA-N 1 0 336.432 2.269 50 0 EEAARO Cc1cccn2c(CNC(=O)N3CC[C@H]([NH+]4CCCCC4)C3)cnc12 ZINC000534647285 468269536 /nfs/dbraw/zinc/26/95/36/468269536.db2.gz OLSBZDGQVWWZIG-INIZCTEOSA-N 1 0 341.459 2.413 50 0 EEAARO O=C(NCC1(Cn2ccnc2)CC1)c1ccc(C[NH+]2CCCC2)o1 ZINC000534652331 468270503 /nfs/dbraw/zinc/27/05/03/468270503.db2.gz ZUAHHPIBSXVFHU-UHFFFAOYSA-N 1 0 328.416 2.282 50 0 EEAARO CC1(C)CC(NC(=O)c2ccnc(-n3ccnc3)c2)CC(C)(C)[NH2+]1 ZINC000060633860 462562251 /nfs/dbraw/zinc/56/22/51/462562251.db2.gz LNHVDUYKKIFEOM-UHFFFAOYSA-N 1 0 327.432 2.306 50 0 EEAARO CN(C)c1ccc(NC(=[NH2+])Nc2nc(C(F)(F)F)cc(=O)[nH]2)cc1 ZINC000000448948 462563242 /nfs/dbraw/zinc/56/32/42/462563242.db2.gz GGSBGVFHGWDABU-UHFFFAOYSA-N 1 0 340.309 2.313 50 0 EEAARO C[NH+](C)CCNc1nc2sc3c(c2c2ncnn21)CC(C)(C)OC3 ZINC000002336460 462592193 /nfs/dbraw/zinc/59/21/93/462592193.db2.gz XYTYNHCDFKNKDY-UHFFFAOYSA-N 1 0 346.460 2.164 50 0 EEAARO C[NH+](C)CCNC(=O)/C(=C/c1ccccc1)NC(=O)c1ccccc1 ZINC000002678706 462598906 /nfs/dbraw/zinc/59/89/06/462598906.db2.gz WWGAQRQCPJZLHW-SDXDJHTJSA-N 1 0 337.423 2.135 50 0 EEAARO COc1ccc2ccccc2c1C[NH2+]CCSc1nnnn1C ZINC000004488541 462632855 /nfs/dbraw/zinc/63/28/55/462632855.db2.gz CSIBKFICCGXFOC-UHFFFAOYSA-N 1 0 329.429 2.254 50 0 EEAARO c1ncn(-c2ccc(C[NH2+]C3CCN(Cc4ccccn4)CC3)cc2)n1 ZINC000065380795 462760662 /nfs/dbraw/zinc/76/06/62/462760662.db2.gz NOSMRTBRHRWVQX-UHFFFAOYSA-N 1 0 348.454 2.417 50 0 EEAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)c2csc(-c3cccs3)n2)C1 ZINC000065408792 462766557 /nfs/dbraw/zinc/76/65/57/462766557.db2.gz RESFVZUYVPYDSQ-MNOVXSKESA-N 1 0 337.470 2.009 50 0 EEAARO COc1cc(C(=O)NCCSC)ccc1OC1CC[NH+](C)CC1 ZINC000011843419 462839691 /nfs/dbraw/zinc/83/96/91/462839691.db2.gz OKJDMJVXHHRSAS-UHFFFAOYSA-N 1 0 338.473 2.261 50 0 EEAARO Cn1cc(C[N@@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)cn1 ZINC000012449244 462852653 /nfs/dbraw/zinc/85/26/53/462852653.db2.gz HDIZTPLFPIUJGO-INIZCTEOSA-N 1 0 328.416 2.268 50 0 EEAARO C[NH+](C)CC[C@H]1CN(C(=O)c2ccccc2C(F)(F)F)CCO1 ZINC000012596860 462859802 /nfs/dbraw/zinc/85/98/02/462859802.db2.gz VECFRWRQOBCUKD-LBPRGKRZSA-N 1 0 330.350 2.498 50 0 EEAARO COCC[C@@]1(CO)CCC[N@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000091548682 462887921 /nfs/dbraw/zinc/88/79/21/462887921.db2.gz NZCIJYFSDOVKNV-KRWDZBQOSA-N 1 0 339.505 2.354 50 0 EEAARO COc1cc(N2CC[C@@]3(O)CC[N@@H+](C4CCCCC4)C[C@H]3C2)ncn1 ZINC000091593317 462890853 /nfs/dbraw/zinc/89/08/53/462890853.db2.gz UJIZMYAWNZQVEJ-KXBFYZLASA-N 1 0 346.475 2.081 50 0 EEAARO CCC[C@H]1C[N@H+](CCc2ccccn2)C[C@@H]1NS(=O)(=O)CCC ZINC000091616468 462891848 /nfs/dbraw/zinc/89/18/48/462891848.db2.gz IMQIFXNIVBUJOM-RDJZCZTQSA-N 1 0 339.505 2.054 50 0 EEAARO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@@H](O)C[NH+]1CCCCCC1)C2=O ZINC000013564352 462895971 /nfs/dbraw/zinc/89/59/71/462895971.db2.gz HVUSCPODFBEQJZ-YZVOILCLSA-N 1 0 336.476 2.035 50 0 EEAARO Cc1nc2ccccn2c1CN1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000091691156 462899824 /nfs/dbraw/zinc/89/98/24/462899824.db2.gz WIPXNSRNKZEMLF-SJORKVTESA-N 1 0 330.476 2.167 50 0 EEAARO Cc1nnc(SCCCNC(=O)[C@H]2CCCCC[N@H+]2C)s1 ZINC000091893928 462912394 /nfs/dbraw/zinc/91/23/94/462912394.db2.gz ISOJFLFVNDQJGH-GFCCVEGCSA-N 1 0 328.507 2.319 50 0 EEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(OC)c(F)c1)C2 ZINC000091896337 462912554 /nfs/dbraw/zinc/91/25/54/462912554.db2.gz CNFKDMRLIFZLQU-UKRRQHHQSA-N 1 0 336.407 2.017 50 0 EEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc(CC(C)C)no1)C2 ZINC000091914875 462913368 /nfs/dbraw/zinc/91/33/68/462913368.db2.gz CLOMHXPFUQWTIB-GDBMZVCRSA-N 1 0 335.448 2.056 50 0 EEAARO C[C@@H]1C[N@H+](CCCOc2ccc(C(N)=O)cc2)CC[C@@]1(O)C1CCC1 ZINC000091966724 462916644 /nfs/dbraw/zinc/91/66/44/462916644.db2.gz CKTSBMBVBYELRA-QRWLVFNGSA-N 1 0 346.471 2.427 50 0 EEAARO Cc1cc(N2CCC(c3nccn3Cc3cccnc3)CC2)nc(N)[nH+]1 ZINC000091997835 462917856 /nfs/dbraw/zinc/91/78/56/462917856.db2.gz UPDIDHNPOVDVEP-UHFFFAOYSA-N 1 0 349.442 2.391 50 0 EEAARO CNC(=O)c1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000119788535 462928367 /nfs/dbraw/zinc/92/83/67/462928367.db2.gz UGJKXVGZOJHLFG-HNNXBMFYSA-N 1 0 344.459 2.386 50 0 EEAARO CC(C)c1nn(C)cc1CNC[C@H](O)C[N@@H+]1CCc2ccccc2C1 ZINC000048711460 462932836 /nfs/dbraw/zinc/93/28/36/462932836.db2.gz BOWCAOCLVQUWPX-IBGZPJMESA-N 1 0 342.487 2.052 50 0 EEAARO C[NH2+]Cc1ccc(OCc2ccc3c(c2)n(C)c(=O)n3C)c(OC)c1 ZINC000016189395 462971757 /nfs/dbraw/zinc/97/17/57/462971757.db2.gz LSPOKPBWPKATKL-UHFFFAOYSA-N 1 0 341.411 2.184 50 0 EEAARO CC[NH+]1CCC(NC(=O)COc2cccc(Br)c2)CC1 ZINC000016604718 462983171 /nfs/dbraw/zinc/98/31/71/462983171.db2.gz UCPJNJYUKYZTFU-UHFFFAOYSA-N 1 0 341.249 2.428 50 0 EEAARO COc1ccccc1C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000020373009 463025984 /nfs/dbraw/zinc/02/59/84/463025984.db2.gz LJWGZNBONSAESS-UHFFFAOYSA-N 1 0 326.400 2.094 50 0 EEAARO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2cc(Cl)ccc2OC)C1 ZINC000067688873 463038666 /nfs/dbraw/zinc/03/86/66/463038666.db2.gz SQGNYICDBBREBD-LBPRGKRZSA-N 1 0 346.880 2.359 50 0 EEAARO O=C(Nc1cc2c(cc1F)NC(=O)CC2)N1CC[NH+](CC2CC2)CC1 ZINC000120830212 463042501 /nfs/dbraw/zinc/04/25/01/463042501.db2.gz SMCCIROOWFGPTQ-UHFFFAOYSA-N 1 0 346.406 2.270 50 0 EEAARO O=S(=O)(Cc1ccccc1)NC[C@H]1CC[N@H+](Cc2ccco2)C1 ZINC000067851562 463057897 /nfs/dbraw/zinc/05/78/97/463057897.db2.gz HPSPRZRCWHRBOC-MRXNPFEDSA-N 1 0 334.441 2.221 50 0 EEAARO CSc1ccc2cc(C[N@@H+]3CC[C@H](N(C)C(C)=O)C3)c(=O)[nH]c2c1 ZINC000067886166 463063074 /nfs/dbraw/zinc/06/30/74/463063074.db2.gz DMEWIEMJPXPFEB-HNNXBMFYSA-N 1 0 345.468 2.303 50 0 EEAARO COc1ccc([C@@H]2CN(C(=O)C3CC3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 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COc1ccc(OC)c(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c1 ZINC000104319757 463412600 /nfs/dbraw/zinc/41/26/00/463412600.db2.gz QPMPEGNRLGLSIJ-QGZVFWFLSA-N 1 0 336.476 2.228 50 0 EEAARO Cc1ccc(CN2CCN(Cc3ccc(O)cc3)C[C@H]2CCO)o1 ZINC000104526656 463416589 /nfs/dbraw/zinc/41/65/89/463416589.db2.gz CEISZIKYHZZYME-QGZVFWFLSA-N 1 0 330.428 2.362 50 0 EEAARO Cc1cccc(CN2CC[N@@H+](C3CCSCC3)C[C@H]2CCO)n1 ZINC000105626898 463457617 /nfs/dbraw/zinc/45/76/17/463457617.db2.gz FSIOXIHNYBYWIZ-GOSISDBHSA-N 1 0 335.517 2.154 50 0 EEAARO C[C@@H](CNC(=O)c1cccc(NC(=O)[C@@H]2C[C@H]2C)c1)[NH+]1CCCC1 ZINC000106147822 463506203 /nfs/dbraw/zinc/50/62/03/463506203.db2.gz JZFZPKPGWUGQBW-JKIFEVAISA-N 1 0 329.444 2.495 50 0 EEAARO CO[C@H]1[C@H](NC(=O)c2cccn2C)c2ccccc2C12CC[NH2+]CC2 ZINC000072427113 463511105 /nfs/dbraw/zinc/51/11/05/463511105.db2.gz LECIPSPFLOJZGZ-MSOLQXFVSA-N 1 0 339.439 2.146 50 0 EEAARO Cc1noc(C)c1CC(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000082098052 463513779 /nfs/dbraw/zinc/51/37/79/463513779.db2.gz 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CN(C)S(=O)(=O)CCC[N@H+](C)Cc1cc2cc(F)ccc2[nH]1 ZINC001529171772 1121354947 /nfs/dbraw/zinc/35/49/47/1121354947.db2.gz BALIJPSDXKDERU-UHFFFAOYSA-N 1 0 327.425 2.020 50 0 EEAARO O[C@@H]1C[N@@H+](C2CCN(Cc3ccco3)CC2)C[C@H]1Cc1ccncc1 ZINC001529190935 1121364166 /nfs/dbraw/zinc/36/41/66/1121364166.db2.gz PVFVHOFPUKLWLD-YLJYHZDGSA-N 1 0 341.455 2.174 50 0 EEAARO C=C1C(N2CCC([NH3+])CC2)=NS(=O)(=O)C1c1cccc(Cl)c1 ZINC000045796222 213756147 /nfs/dbraw/zinc/75/61/47/213756147.db2.gz WGMHMVDJYQUSSZ-UHFFFAOYSA-N 1 0 339.848 2.236 50 0 EEAARO Cn1cncc1CC[N@@H+]1C[C@@H]2CCC[C@]2(c2nnc(C3CC3)o2)C1 ZINC000685940687 539989459 /nfs/dbraw/zinc/98/94/59/539989459.db2.gz FOLYLAMPIBTELJ-KSSFIOAISA-N 1 0 327.432 2.277 50 0 EEAARO C[NH+]1CCN(CCOCCOc2cccc(Br)c2)CC1 ZINC000020118587 202032974 /nfs/dbraw/zinc/03/29/74/202032974.db2.gz AEHZNCWQHCBLAA-UHFFFAOYSA-N 1 0 343.265 2.092 50 0 EEAARO [NH3+]CCNCCOCCOc1ccc(Cl)cc1Br ZINC000020118033 202032999 /nfs/dbraw/zinc/03/29/99/202032999.db2.gz 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CC[C@@H](C(=O)NC(C)(C)C)N1CCC([NH+]2CCSCC2)CC1 ZINC001506423332 1114602612 /nfs/dbraw/zinc/60/26/12/1114602612.db2.gz FJJCFHBFZIGHEY-HNNXBMFYSA-N 1 0 327.538 2.193 50 0 EEAARO COc1cccc(C[N@@H+]2C[C@H](O)[C@H](Cc3ccncc3)C2)c1OC ZINC001529112509 1121321543 /nfs/dbraw/zinc/32/15/43/1121321543.db2.gz MECWQLZRFZYJAL-SJORKVTESA-N 1 0 328.412 2.134 50 0 EEAARO COc1cc(C)c(C[N@H+]2C[C@@H](Cc3cnccn3)[C@H](O)C2)cc1C ZINC001529154276 1121344510 /nfs/dbraw/zinc/34/45/10/1121344510.db2.gz IUYUMQUKQSIYRK-SJLPKXTDSA-N 1 0 327.428 2.137 50 0 EEAARO CSc1ncc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cn1 ZINC000020993460 202059479 /nfs/dbraw/zinc/05/94/79/202059479.db2.gz ISUGPFJLCROVGS-HNNXBMFYSA-N 1 0 338.521 2.113 50 0 EEAARO CCn1c(C)cc(O)c([C@@H](c2ccccc2)N2CC[NH+](C)CC2)c1=O ZINC000022696815 202089881 /nfs/dbraw/zinc/08/98/81/202089881.db2.gz WDZZHUZQPSOWID-LJQANCHMSA-N 1 0 341.455 2.219 50 0 EEAARO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@H](C)c2ccccn2)c1 ZINC000023675680 202107522 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CSc1ccccc1C(=O)N1CCN(C2CC[NH+](C)CC2)CC1 ZINC000216130401 241168899 /nfs/dbraw/zinc/16/88/99/241168899.db2.gz VQJTXBCXZXDZHN-UHFFFAOYSA-N 1 0 333.501 2.261 50 0 EEAARO Cc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)OCCO2 ZINC000216167612 241172343 /nfs/dbraw/zinc/17/23/43/241172343.db2.gz AOALLDFLKXWGIJ-GOSISDBHSA-N 1 0 346.471 2.453 50 0 EEAARO c1cn(CCCOc2ccc(CN3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cn1 ZINC000216428779 241192498 /nfs/dbraw/zinc/19/24/98/241192498.db2.gz URSSSUIRUVCADO-HDICACEKSA-N 1 0 326.444 2.003 50 0 EEAARO Cc1cc(C)n([C@@H]2CCN(Cc3ccc(S(C)(=O)=O)cc3)C2)n1 ZINC000215511205 241128462 /nfs/dbraw/zinc/12/84/62/241128462.db2.gz MPDQRVFGWZUYKV-MRXNPFEDSA-N 1 0 333.457 2.350 50 0 EEAARO C[NH+](C)[C@H]1CN(C(=O)NC(C)(C)c2cccc3ccccc32)C[C@@H]1O ZINC000426635213 241319795 /nfs/dbraw/zinc/31/97/95/241319795.db2.gz BUJHSTUUUUCGGM-ROUUACIJSA-N 1 0 341.455 2.391 50 0 EEAARO COc1ncc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)cn1 ZINC000426669147 241323504 /nfs/dbraw/zinc/32/35/04/241323504.db2.gz 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CN(CCc1ccccc1)c1cnn(C[C@H]2CCCC[N@@H+]2C)c(=O)c1 ZINC000095509912 463098622 /nfs/dbraw/zinc/09/86/22/463098622.db2.gz ZDCSTROYIRMGJQ-GOSISDBHSA-N 1 0 340.471 2.407 50 0 EEAARO C[C@H](CCCC(C)(C)O)CC[NH+]1CCC(n2cc(CO)nn2)CC1 ZINC000055108905 463285545 /nfs/dbraw/zinc/28/55/45/463285545.db2.gz DWYGSNBVXYVWJN-OAHLLOKOSA-N 1 0 338.496 2.375 50 0 EEAARO Cc1cccc(CC2(NC(=O)[C@@H]3CCCN3C3CC[NH2+]CC3)CC2)c1 ZINC000097636475 463361456 /nfs/dbraw/zinc/36/14/56/463361456.db2.gz YZDJLRHXBRIZNT-IBGZPJMESA-N 1 0 341.499 2.403 50 0 EEAARO COCC(=O)N1CCC[N@H+](Cc2c(C)ccc3ncccc32)CC1 ZINC000097632020 463361752 /nfs/dbraw/zinc/36/17/52/463361752.db2.gz VQAWRXVWVNUYKZ-UHFFFAOYSA-N 1 0 327.428 2.224 50 0 EEAARO CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC[NH+]1CC=CC1 ZINC000101282446 463377310 /nfs/dbraw/zinc/37/73/10/463377310.db2.gz JDSGMBVMJLGYGD-INIZCTEOSA-N 1 0 349.862 2.082 50 0 EEAARO Cc1ccc(OCc2cccc(C(=O)N3CC[NH2+]C[C@H]3C)c2)cn1 ZINC000124858027 463472457 /nfs/dbraw/zinc/47/24/57/463472457.db2.gz 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O=C(NCCC1=CCCCC1)c1cc(CN2CCC[C@@H](O)C2)on1 ZINC000012578679 788357779 /nfs/dbraw/zinc/35/77/79/788357779.db2.gz LOJPDALWXBLKFY-OAHLLOKOSA-N 1 0 333.432 2.252 50 0 EEAARO CCOc1cc2c(cc1C[NH2+]CCN1CCC[C@H](CO)C1)CCC2 ZINC000952982110 796144637 /nfs/dbraw/zinc/14/46/37/796144637.db2.gz ZKLCRVWQZYDSOP-INIZCTEOSA-N 1 0 332.488 2.368 50 0 EEAARO Cc1ccc(NC(=O)CN(C)C)c(NC(=O)C[N@H+](C)C2CCCC2)c1 ZINC000952989883 796159067 /nfs/dbraw/zinc/15/90/67/796159067.db2.gz DRVHSCGROKCRKY-UHFFFAOYSA-N 1 0 346.475 2.308 50 0 EEAARO COc1cc(C)ccc1S(=O)(=O)N(C)C[C@H](C)C[NH+]1CCCC1 ZINC000952990889 796161957 /nfs/dbraw/zinc/16/19/57/796161957.db2.gz MTGMNNAVFIPVIO-HNNXBMFYSA-N 1 0 340.489 2.356 50 0 EEAARO O=C(N[C@@H]1CC[N@H+](Cc2ccsc2)C1)c1ccc2c(c1)OCO2 ZINC000618256094 797649828 /nfs/dbraw/zinc/64/98/28/797649828.db2.gz DDLGAAXHLCWLFC-CQSZACIVSA-N 1 0 330.409 2.481 50 0 EEAARO O=C1C[C@H]([NH2+]Cc2cccc(O)c2)CN1CCc1ccc(F)cc1 ZINC000011815175 798540561 /nfs/dbraw/zinc/54/05/61/798540561.db2.gz 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ZINC000685942612 539990079 /nfs/dbraw/zinc/99/00/79/539990079.db2.gz PPMUWABAJJAPPV-OAHLLOKOSA-N 1 0 342.447 2.194 50 0 EEAARO [NH3+]Cc1cn(C[C@@H]2CCCN(C(=O)C/C=C/c3ccccc3)C2)nn1 ZINC000019866397 202024135 /nfs/dbraw/zinc/02/41/35/202024135.db2.gz WXUKNLZZYXOAAS-IOMDMTNGSA-N 1 0 339.443 2.079 50 0 EEAARO Cc1c2ccccc2nc(SCC(=O)NCC(F)(F)F)[n+]1C ZINC000032739650 202232647 /nfs/dbraw/zinc/23/26/47/202232647.db2.gz HMTYFDVQYVWWBR-UHFFFAOYSA-N 1 0 329.347 2.012 50 0 EEAARO CC(C)n1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cn1 ZINC000072239262 202356972 /nfs/dbraw/zinc/35/69/72/202356972.db2.gz AMBYFSBBSAKDMC-UHFFFAOYSA-N 1 0 328.482 2.052 50 0 EEAARO Cn1ncc2c1nc(-c1ccncc1)nc2NCCC[NH+]1CCCC1 ZINC000072433362 216227763 /nfs/dbraw/zinc/22/77/63/216227763.db2.gz ZNRMIMCCADEWKW-UHFFFAOYSA-N 1 0 337.431 2.323 50 0 EEAARO OC1CC[NH+](CCNc2cc(-c3ccccc3)nc3ccnn32)CC1 ZINC000072432497 216226975 /nfs/dbraw/zinc/22/69/75/216226975.db2.gz VBQMVLWUZROFBM-UHFFFAOYSA-N 1 0 337.427 2.265 50 0 EEAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1c(Cl)nc3sccn13)CC2 ZINC000097199575 201383466 /nfs/dbraw/zinc/38/34/66/201383466.db2.gz GZNGFGUHDHXRHZ-VIFPVBQESA-N 1 0 336.852 2.308 50 0 EEAARO COCc1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)ccc1OC ZINC000215642585 241135921 /nfs/dbraw/zinc/13/59/21/241135921.db2.gz HRKKLFORCNOIFE-SFHVURJKSA-N 1 0 348.487 2.386 50 0 EEAARO Cc1cnc(CSc2nnc(CC[NH3+])n2-c2ccccc2F)cn1 ZINC000426359967 241265581 /nfs/dbraw/zinc/26/55/81/241265581.db2.gz PPFMDHRHPLEMHQ-UHFFFAOYSA-N 1 0 344.419 2.298 50 0 EEAARO Cc1ccc(C(=O)N2CC[C@](O)(c3ccccc3)C2)cc1OCC[NH3+] ZINC000426394613 241277540 /nfs/dbraw/zinc/27/75/40/241277540.db2.gz OLPURQBINBNHKD-HXUWFJFHSA-N 1 0 340.423 2.066 50 0 EEAARO CC[NH+](CC)CCC[C@H](C)NC(=O)N1CCN(c2cccnc2)CC1 ZINC000426507879 241302490 /nfs/dbraw/zinc/30/24/90/241302490.db2.gz MYDSVBFXIRASFD-KRWDZBQOSA-N 1 0 347.507 2.424 50 0 EEAARO Cn1cc(Br)c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000002780169 201545095 /nfs/dbraw/zinc/54/50/95/201545095.db2.gz 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ZINC000072128259 203164909 /nfs/dbraw/zinc/16/49/09/203164909.db2.gz YAIGVVBNOZSKJF-UHFFFAOYSA-N 1 0 333.407 2.366 50 0 EEAARO C[N@@H+]1CCCn2nc(CN3CCC(Nc4ccccn4)CC3)cc2C1 ZINC000072143236 203167679 /nfs/dbraw/zinc/16/76/79/203167679.db2.gz QHIUFHJENQPSOX-UHFFFAOYSA-N 1 0 340.475 2.190 50 0 EEAARO CC(C)NC(=O)CC[N@@H+]1CCC[C@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000072146979 203171425 /nfs/dbraw/zinc/17/14/25/203171425.db2.gz JNHQPIATOFMEES-INIZCTEOSA-N 1 0 347.459 2.249 50 0 EEAARO O=C1NC[C@@]2(CCC[N@H+](Cc3cnc(-c4ccco4)nc3)CC2)O1 ZINC000072163899 203178208 /nfs/dbraw/zinc/17/82/08/203178208.db2.gz YVAGFMYMOGDYSC-KRWDZBQOSA-N 1 0 328.372 2.201 50 0 EEAARO CC(C)(C[N@@H+]1CCC[C@H](OCc2cccnc2)C1)N1CCOCC1 ZINC000072167028 203179653 /nfs/dbraw/zinc/17/96/53/203179653.db2.gz AJGHRUZWPPZAMH-SFHVURJKSA-N 1 0 333.476 2.173 50 0 EEAARO [NH3+][C@@H]1CC[C@@H]1NC(=O)c1cn(C2CC2)c2cc(Cl)c(F)cc2c1=O ZINC000072169530 203181265 /nfs/dbraw/zinc/18/12/65/203181265.db2.gz KNBCWQYNAYRKPQ-KGLIPLIRSA-N 1 0 349.793 2.348 50 0 EEAARO Cc1ccccc1OCC(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072462689 203228345 /nfs/dbraw/zinc/22/83/45/203228345.db2.gz USELXCIMPLQJFZ-UHFFFAOYSA-N 1 0 325.412 2.039 50 0 EEAARO Cc1nc2cc(NC(=O)CCc3cc4n(n3)CC[NH2+]C4)ccc2s1 ZINC000072472890 203230509 /nfs/dbraw/zinc/23/05/09/203230509.db2.gz HFHSEXWNKJLEFW-UHFFFAOYSA-N 1 0 341.440 2.476 50 0 EEAARO CC(C)Cc1noc([C@H](C)n2ccnc2-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072407828 203216626 /nfs/dbraw/zinc/21/66/26/203216626.db2.gz RSONZMQTLJQAMO-LBPRGKRZSA-N 1 0 341.419 2.041 50 0 EEAARO CCc1cc(N2CC[NH+](CCCOC)CC2)n2nc(C)c(C)c2n1 ZINC000072418419 203218316 /nfs/dbraw/zinc/21/83/16/203218316.db2.gz BURMYWSUHGKYOG-UHFFFAOYSA-N 1 0 331.464 2.067 50 0 EEAARO Cc1ncc2c(c1CNC(=O)[C@H](C)n1ccnc1C(C)C)CC[NH2+]C2 ZINC000072479453 203233112 /nfs/dbraw/zinc/23/31/12/203233112.db2.gz UDCAOEDCTCUDPK-AWEZNQCLSA-N 1 0 341.459 2.233 50 0 EEAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)c2cccc3ccnn32)CC1 ZINC000072425023 203222002 /nfs/dbraw/zinc/22/20/02/203222002.db2.gz NWWGFAQUOJHEHS-UHFFFAOYSA-N 1 0 349.438 2.466 50 0 EEAARO O=C(CCn1nnc2ccccc21)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000077299585 203378597 /nfs/dbraw/zinc/37/85/97/203378597.db2.gz HPVAJUHRFDVXAG-UHFFFAOYSA-N 1 0 341.459 2.298 50 0 EEAARO C[N@@H+]1CC[C@H]2CN(c3cc(Sc4cccs4)nc(N)n3)C[C@H]21 ZINC000077517987 203393119 /nfs/dbraw/zinc/39/31/19/203393119.db2.gz AYISDZAEJXMUIW-WDEREUQCSA-N 1 0 333.486 2.412 50 0 EEAARO c1cc(CN2CCC[C@H]([NH+]3CCN(c4ccccc4)CC3)C2)n[nH]1 ZINC000019745304 212060342 /nfs/dbraw/zinc/06/03/42/212060342.db2.gz CXBGXZOBGQELTQ-IBGZPJMESA-N 1 0 325.460 2.196 50 0 EEAARO CCc1[nH+]c(N)nc(N2CCN(c3ccc(C(C)=O)cc3)CC2)c1C ZINC000091746589 203649928 /nfs/dbraw/zinc/64/99/28/203649928.db2.gz BODJPJYPCONQIG-UHFFFAOYSA-N 1 0 339.443 2.459 50 0 EEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000219808119 284246034 /nfs/dbraw/zinc/24/60/34/284246034.db2.gz RWFJXXGPBVYASB-KBPBESRZSA-N 1 0 328.334 2.298 50 0 EEAARO COc1ccc([C@@H]2[C@@H](CNC(=O)Cn3cccn3)CCC[N@@H+]2C)cc1 ZINC000106912337 204218306 /nfs/dbraw/zinc/21/83/06/204218306.db2.gz ROAVIVWUSHUARJ-VQIMIIECSA-N 1 0 342.443 2.091 50 0 EEAARO Cn1cccc1[C@H](CNS(=O)(=O)c1cccs1)N1CCCC1 ZINC000011846849 207002801 /nfs/dbraw/zinc/00/28/01/207002801.db2.gz IMEAJILRQWIELW-AWEZNQCLSA-N 1 0 339.486 2.202 50 0 EEAARO Cn1ncc(Cl)c1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000299775456 258086192 /nfs/dbraw/zinc/08/61/92/258086192.db2.gz DDPAOWSADHEDOK-UHFFFAOYSA-N 1 0 346.862 2.467 50 0 EEAARO Cc1ccc(C(=O)N[C@@H]2c3ccccc3C[C@@H]2O)c(OCCC[NH3+])c1 ZINC000299779034 258088621 /nfs/dbraw/zinc/08/86/21/258088621.db2.gz PPZSJZFCZZNWJV-PKOBYXMFSA-N 1 0 340.423 2.111 50 0 EEAARO COc1ccc(NC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCC2)cc1Cl ZINC000299788116 258094248 /nfs/dbraw/zinc/09/42/48/258094248.db2.gz VGYLVDVJHQDJHO-KBPBESRZSA-N 1 0 339.823 2.333 50 0 EEAARO Cc1nc2cc(C(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)ccc2[nH]1 ZINC000299797438 258101492 /nfs/dbraw/zinc/10/14/92/258101492.db2.gz OXPFQNWLGHJLAZ-MRXNPFEDSA-N 1 0 342.443 2.245 50 0 EEAARO c1cn(C[C@H]2OCCc3ccccc32)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072409842 285536417 /nfs/dbraw/zinc/53/64/17/285536417.db2.gz VWKNTDHSWDMPRR-GOSISDBHSA-N 1 0 335.411 2.164 50 0 EEAARO COc1ccc(CC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC000036077826 286298426 /nfs/dbraw/zinc/29/84/26/286298426.db2.gz WXRYUNFGRMNXMY-OAHLLOKOSA-N 1 0 334.460 2.483 50 0 EEAARO [NH2+]=C1N=C2Oc3ccccc3N2[C@@H](c2coc3ccccc3c2=O)N1 ZINC000012557331 274943287 /nfs/dbraw/zinc/94/32/87/274943287.db2.gz HJCQZAJRYNMMBV-INIZCTEOSA-N 1 0 332.319 2.375 50 0 EEAARO CCC[C@H]1C[N@@H+](C2CCN(C(=O)c3ccccn3)CC2)C[C@@H]1N(C)C ZINC000092028847 276049351 /nfs/dbraw/zinc/04/93/51/276049351.db2.gz ONDUKYCRCFZKQW-LPHOPBHVSA-N 1 0 344.503 2.348 50 0 EEAARO CC[NH+]1CCN(c2ncnc3c4cc(OC)ccc4n(C)c32)CC1 ZINC000002194078 276204202 /nfs/dbraw/zinc/20/42/02/276204202.db2.gz SVMLKNDMGIPCOS-UHFFFAOYSA-N 1 0 325.416 2.272 50 0 EEAARO [NH3+][C@H]1CN(C(=O)CCC(=O)N2CCCCCC2)C[C@@H]1c1ccccc1 ZINC000091690611 303490123 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CC(C)([NH3+])C(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000071712036 203103142 /nfs/dbraw/zinc/10/31/42/203103142.db2.gz BEKXEQYBHHGAAY-KBRIMQKVSA-N 1 0 349.425 2.091 50 0 EEAARO CC(C)[C@@H]1CN(C(=O)CCC[NH3+])CCC(=O)N1Cc1ccc(F)cc1 ZINC000071752183 203108218 /nfs/dbraw/zinc/10/82/18/203108218.db2.gz LBGIEORMMHUAOR-KRWDZBQOSA-N 1 0 349.450 2.150 50 0 EEAARO CC(C)([NH3+])C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072156650 203174096 /nfs/dbraw/zinc/17/40/96/203174096.db2.gz BEKXEQYBHHGAAY-IAOVAPTHSA-N 1 0 349.425 2.091 50 0 EEAARO CC(C)c1nc2c(cnn2C)c(N(C)CCCC[NH+]2CCOCC2)n1 ZINC000072153500 203175002 /nfs/dbraw/zinc/17/50/02/203175002.db2.gz ZUSALWZPGANKFQ-UHFFFAOYSA-N 1 0 346.479 2.035 50 0 EEAARO Cc1nc([C@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)cc(=O)[nH]1 ZINC000072162167 203177544 /nfs/dbraw/zinc/17/75/44/203177544.db2.gz KEPLVOFNCRDYBF-ZDUSSCGKSA-N 1 0 341.440 2.463 50 0 EEAARO Cc1nc([C@@H]2CCC[N@@H+](Cc3nc4ccccc4n3C)C2)cc(=O)[nH]1 ZINC000072164258 203178234 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COc1ccc(C[N@H+](C)Cc2cc(=O)n3ccccc3n2)cc1OC ZINC000015449018 462952711 /nfs/dbraw/zinc/95/27/11/462952711.db2.gz LESDQINZFRPXSZ-UHFFFAOYSA-N 1 0 339.395 2.344 50 0 EEAARO COc1ccc(OC)c(-c2nc(CN3CC[NH2+][C@@H](C)C3)c(C)o2)c1 ZINC000067588739 463022605 /nfs/dbraw/zinc/02/26/05/463022605.db2.gz JVUGMZDLINUIBN-LBPRGKRZSA-N 1 0 331.416 2.461 50 0 EEAARO Cn1cc(CCC[N@H+](C)Cc2cc3ccc(F)cc3[nH]c2=O)cn1 ZINC000067642054 463030854 /nfs/dbraw/zinc/03/08/54/463030854.db2.gz NTSIDBSGLAOKHK-UHFFFAOYSA-N 1 0 328.391 2.465 50 0 EEAARO Cc1c(C(=O)NCC[NH+]2CCCC2)nnn1-c1ccc(C)c(Cl)c1 ZINC000051317853 463031673 /nfs/dbraw/zinc/03/16/73/463031673.db2.gz LWDMXARHMBPBSA-UHFFFAOYSA-N 1 0 347.850 2.363 50 0 EEAARO C[C@H](Cn1cnc2ccccc2c1=O)[NH2+]Cc1ccc2nonc2c1 ZINC000067714014 463042498 /nfs/dbraw/zinc/04/24/98/463042498.db2.gz RGFLEQTWDMLWAO-GFCCVEGCSA-N 1 0 335.367 2.111 50 0 EEAARO CC[N@@H+]1CCC[C@H](CN(C)C(=O)c2cnc(-c3ccncc3)nc2)C1 ZINC000067757326 463047277 /nfs/dbraw/zinc/04/72/77/463047277.db2.gz 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ZINC000095497561 463094390 /nfs/dbraw/zinc/09/43/90/463094390.db2.gz CHUMPHRRDBOZCX-AWEZNQCLSA-N 1 0 332.379 2.366 50 0 EEAARO Cc1nn(C)c2nc(N3CCC([N@@H+]4CCC[C@@H](CO)C4)CC3)sc12 ZINC000095530925 463106952 /nfs/dbraw/zinc/10/69/52/463106952.db2.gz APUHMDHJTMFCDU-CYBMUJFWSA-N 1 0 349.504 2.011 50 0 EEAARO CCC(=O)Nc1cccc(OCC(=O)NCCC[NH+]2CCCC2)c1 ZINC000055132963 463288577 /nfs/dbraw/zinc/28/85/77/463288577.db2.gz GDUGFCVTSHLPJK-UHFFFAOYSA-N 1 0 333.432 2.016 50 0 EEAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CCN([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000097243891 463353518 /nfs/dbraw/zinc/35/35/18/463353518.db2.gz DICINTIOMJWEMF-GOSISDBHSA-N 1 0 339.487 2.173 50 0 EEAARO C[NH+]1CCC(Cc2nc(Cn3ccnn3)n(C3CCCCC3)n2)CC1 ZINC000097655447 463361292 /nfs/dbraw/zinc/36/12/92/463361292.db2.gz ZXXPBZAOALFNRJ-UHFFFAOYSA-N 1 0 343.479 2.307 50 0 EEAARO CC(=O)c1ccc(N2CCN(C(=O)[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000097716690 463362622 /nfs/dbraw/zinc/36/26/22/463362622.db2.gz BADWCUDICVQOED-SFHVURJKSA-N 1 0 329.444 2.022 50 0 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EEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000000217640 462548848 /nfs/dbraw/zinc/54/88/48/462548848.db2.gz KIEMPLWHRCCNHQ-LBPRGKRZSA-N 1 0 333.457 2.335 50 0 EEAARO CC(=O)Nc1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006304912 462682036 /nfs/dbraw/zinc/68/20/36/462682036.db2.gz IJYXDKQVGAYJQE-LJQANCHMSA-N 1 0 340.423 2.443 50 0 EEAARO COc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)N2CCNC2=O)cc1 ZINC000008157058 462770895 /nfs/dbraw/zinc/77/08/95/462770895.db2.gz HHYYOFWCJSYNIT-INIZCTEOSA-N 1 0 331.416 2.164 50 0 EEAARO COCCNC(=O)CCC1CC[NH+](Cc2ccc(COC)o2)CC1 ZINC000012761803 462867596 /nfs/dbraw/zinc/86/75/96/462867596.db2.gz ZOVZOMNZFQIDAV-UHFFFAOYSA-N 1 0 338.448 2.181 50 0 EEAARO O=C(C[NH+]1CCCC1)NCC1(c2ccc3c(c2)OCCO3)CCCC1 ZINC000012973717 462878251 /nfs/dbraw/zinc/87/82/51/462878251.db2.gz FYTNLNKYNPBAQV-UHFFFAOYSA-N 1 0 344.455 2.482 50 0 EEAARO C[C@@H]1C[NH+](CCCNC(=O)COc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000012997941 462880141 /nfs/dbraw/zinc/88/01/41/462880141.db2.gz 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462996739 /nfs/dbraw/zinc/99/67/39/462996739.db2.gz SUPVXCSXOJCOHD-OAQYLSRUSA-N 1 0 340.467 2.149 50 0 EEAARO O=C(Cn1cccn1)N1CCC[N@H+](CCCc2ccccc2)CC1 ZINC000077541458 463002957 /nfs/dbraw/zinc/00/29/57/463002957.db2.gz UXEKSEFCRVTZHY-UHFFFAOYSA-N 1 0 326.444 2.050 50 0 EEAARO CCNc1nc(N2CCN(C(=O)Cc3ccccc3)CC2)cc(C)[nH+]1 ZINC000067602013 463023853 /nfs/dbraw/zinc/02/38/53/463023853.db2.gz PLUMCANGDCQENX-UHFFFAOYSA-N 1 0 339.443 2.108 50 0 EEAARO Cc1nnc(CCNC(=O)C[N@@H+]2CCC[C@@H](c3ccccc3)C2)s1 ZINC000095516602 463100999 /nfs/dbraw/zinc/10/09/99/463100999.db2.gz YOFQSSBWMWOWKU-MRXNPFEDSA-N 1 0 344.484 2.385 50 0 EEAARO Cc1nc(CC2CCN(C(=O)[C@@H]3CCC[N@@H+](C(C)C)C3)CC2)no1 ZINC000095523065 463101881 /nfs/dbraw/zinc/10/18/81/463101881.db2.gz ZGVUMVFATNUIPO-MRXNPFEDSA-N 1 0 334.464 2.280 50 0 EEAARO CCC(CC)[C@H](CNC(=O)c1ccc[nH]c1=S)[NH+]1CCOCC1 ZINC000024927688 463102258 /nfs/dbraw/zinc/10/22/58/463102258.db2.gz DUMHBYCZNDVJBF-HNNXBMFYSA-N 1 0 337.489 2.237 50 0 EEAARO 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[NH3+]CCc1nnc(SCC[C@H]2CCOC2)n1-c1ccc(F)cc1 ZINC000426566888 241311232 /nfs/dbraw/zinc/31/12/32/241311232.db2.gz LTZNBECSTMKAOT-GFCCVEGCSA-N 1 0 336.436 2.426 50 0 EEAARO [NH3+]CCOc1ccc(Cl)cc1C(=O)NCCC[C@H]1CCOC1 ZINC000426615362 241317625 /nfs/dbraw/zinc/31/76/25/241317625.db2.gz DMERJWLCQLSQTP-LBPRGKRZSA-N 1 0 326.824 2.224 50 0 EEAARO Cn1nccc1[C@@H](O)c1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000219162810 241366507 /nfs/dbraw/zinc/36/65/07/241366507.db2.gz BFZAIBXDBBPZCU-SFHVURJKSA-N 1 0 329.448 2.237 50 0 EEAARO CN1CC[N@H+](CCCCF)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000230188094 242245932 /nfs/dbraw/zinc/24/59/32/242245932.db2.gz BTMWOVDSBAPGFX-GOSISDBHSA-N 1 0 325.472 2.145 50 0 EEAARO CC(C)CC[N@@H+]1CCN(Cc2cnc(N(C)C)s2)C[C@@H]1CCO ZINC000020909485 212186855 /nfs/dbraw/zinc/18/68/55/212186855.db2.gz IJRUJIKYCYGVRE-HNNXBMFYSA-N 1 0 340.537 2.124 50 0 EEAARO Cc1c(Cl)cccc1NC(=O)CC[N@@H+](C)C[C@@H]1COCCO1 ZINC000244716003 243066599 /nfs/dbraw/zinc/06/65/99/243066599.db2.gz LGPRQEHGAXHZPL-CYBMUJFWSA-N 1 0 326.824 2.324 50 0 EEAARO C[NH+](C)[C@@H]1CCCN(CCC(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000244794917 243085686 /nfs/dbraw/zinc/08/56/86/243085686.db2.gz QWJWENPOGGJTLY-CYBMUJFWSA-N 1 0 337.493 2.160 50 0 EEAARO Cc1cc(N2CCN([C@H](C)C(=O)NCc3ccccc3)CC2)cc[nH+]1 ZINC000244723540 243070384 /nfs/dbraw/zinc/07/03/84/243070384.db2.gz MDLDJEMWNQNFAU-QGZVFWFLSA-N 1 0 338.455 2.217 50 0 EEAARO CN(C)c1ncc(CN2CC[N@H+](C3CCCC3)[C@@H](CCO)C2)s1 ZINC000020540653 212145341 /nfs/dbraw/zinc/14/53/41/212145341.db2.gz QYFALKKVUFRCTH-HNNXBMFYSA-N 1 0 338.521 2.020 50 0 EEAARO COc1cccc(C[NH2+]CCc2ccccc2F)c1OCC(N)=O ZINC000019872417 212077392 /nfs/dbraw/zinc/07/73/92/212077392.db2.gz QZHMDAMDQVSRIU-UHFFFAOYSA-N 1 0 332.375 2.031 50 0 EEAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1cccn1-c1ncccn1)C2 ZINC000019607893 212052082 /nfs/dbraw/zinc/05/20/82/212052082.db2.gz ICNKVKPTRCNIFN-HNNXBMFYSA-N 1 0 336.395 2.369 50 0 EEAARO COc1cc(Br)c(CN2CC[NH+](C)CC2)cc1OC ZINC000019608715 212051823 /nfs/dbraw/zinc/05/18/23/212051823.db2.gz CISZHIWFRJLJKH-UHFFFAOYSA-N 1 0 329.238 2.214 50 0 EEAARO O=C(c1coc(COc2ccccc2)n1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000012093303 211289639 /nfs/dbraw/zinc/28/96/39/211289639.db2.gz SRPASTTWISHUCI-CQSZACIVSA-N 1 0 327.384 2.174 50 0 EEAARO Cc1cccc(C)c1C[N@@H+]1C[C@H](CO)[C@H](CN2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000091474374 218011358 /nfs/dbraw/zinc/01/13/58/218011358.db2.gz SZMQYXVPPBMNSL-IYWMVGAKSA-N 1 0 346.515 2.453 50 0 EEAARO CC1CC[NH+](C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)CC1 ZINC000011874409 211262121 /nfs/dbraw/zinc/26/21/21/211262121.db2.gz GIMJFPJHNATEMJ-LJQANCHMSA-N 1 0 334.435 2.411 50 0 EEAARO O=C(c1cc(Cn2ccc3ccccc32)n[nH]1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000011820237 211252604 /nfs/dbraw/zinc/25/26/04/211252604.db2.gz SLXYVRFNCFIKEB-KRWDZBQOSA-N 1 0 349.438 2.333 50 0 EEAARO CC(C)=CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000011817419 211249432 /nfs/dbraw/zinc/24/94/32/211249432.db2.gz XDLZKSHBNWRRII-MRXNPFEDSA-N 1 0 326.404 2.031 50 0 EEAARO C[N@@H+]1CCc2nc[nH]c2C12CCN(C(=O)CCc1cccs1)CC2 ZINC000091635708 218037004 /nfs/dbraw/zinc/03/70/04/218037004.db2.gz ZFZXIWXPSWVZIE-UHFFFAOYSA-N 1 0 344.484 2.410 50 0 EEAARO CCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000091664255 218042957 /nfs/dbraw/zinc/04/29/57/218042957.db2.gz GUZYHUXDJPMGJB-DLBZAZTESA-N 1 0 332.444 2.155 50 0 EEAARO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccoc1)CC2 ZINC000091678661 218046036 /nfs/dbraw/zinc/04/60/36/218046036.db2.gz HRXMBYJVHDQWNR-UHFFFAOYSA-N 1 0 328.416 2.289 50 0 EEAARO COCC[C@]1(CO)CCCN(C(=O)CC[NH+]2Cc3ccccc3C2)C1 ZINC000091974037 218096626 /nfs/dbraw/zinc/09/66/26/218096626.db2.gz GVCCBAYQJMENRP-HXUWFJFHSA-N 1 0 346.471 2.030 50 0 EEAARO COc1cccc(-c2ccc(C[NH2+]CCSc3nnnn3C)o2)c1 ZINC000010434528 211172744 /nfs/dbraw/zinc/17/27/44/211172744.db2.gz IMKZQTFFZSRKDH-UHFFFAOYSA-N 1 0 345.428 2.361 50 0 EEAARO CCOC(=O)C1=C(C[NH2+]CCC(C)C)NC(=O)N[C@@H]1c1ccccc1 ZINC000009862479 211129187 /nfs/dbraw/zinc/12/91/87/211129187.db2.gz AXPIVIQLYQZETD-QGZVFWFLSA-N 1 0 345.443 2.493 50 0 EEAARO C[C@@H](C(=O)NC(=O)NC1CC1)[NH+]1CCC(Cc2ccccc2)CC1 ZINC000009112731 211040914 /nfs/dbraw/zinc/04/09/14/211040914.db2.gz HQKUSZDTYYMZRD-AWEZNQCLSA-N 1 0 329.444 2.318 50 0 EEAARO CCOc1ccc(CC(=O)N2C[C@H]3CC[C@H](C[N@H+]3CCOC)C2)cc1 ZINC000095361359 218294016 /nfs/dbraw/zinc/29/40/16/218294016.db2.gz UVUWQBWAQVUQFX-QZTJIDSGSA-N 1 0 346.471 2.197 50 0 EEAARO CN(CCCc1cnn(C)c1)C(=O)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095365848 218297734 /nfs/dbraw/zinc/29/77/34/218297734.db2.gz HPQZZMOGRIPRSL-KRWDZBQOSA-N 1 0 332.492 2.466 50 0 EEAARO C[N@@H+]1CCC[C@H](CCC(=O)N2CCOc3ccc(CO)cc3C2)C1 ZINC000095381418 218313843 /nfs/dbraw/zinc/31/38/43/218313843.db2.gz KDWCAKXNXKOTFI-OAHLLOKOSA-N 1 0 332.444 2.022 50 0 EEAARO C[C@H](CNC(=O)C1CC[NH+](Cc2ccco2)CC1)Oc1cccnc1 ZINC000095383886 218315740 /nfs/dbraw/zinc/31/57/40/218315740.db2.gz DDVYUPDUURNLLU-OAHLLOKOSA-N 1 0 343.427 2.470 50 0 EEAARO O=S(=O)(C1CC1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095383439 218315886 /nfs/dbraw/zinc/31/58/86/218315886.db2.gz BIRGQCINASOPTM-WMLDXEAASA-N 1 0 346.496 2.042 50 0 EEAARO Cc1nccn1Cc1nnc([C@H]2CCCN(c3cc[nH+]cc3)C2)n1C ZINC000095391876 218323871 /nfs/dbraw/zinc/32/38/71/218323871.db2.gz GEZVAXWUAANQJH-HNNXBMFYSA-N 1 0 337.431 2.147 50 0 EEAARO CCCOc1ccc(Cl)cc1CNC(=O)C1(O)CC[NH+](C)CC1 ZINC000097602312 219040000 /nfs/dbraw/zinc/04/00/00/219040000.db2.gz KWPHMTWIWWOBER-UHFFFAOYSA-N 1 0 340.851 2.202 50 0 EEAARO CC(C)[NH+]1CCC2(CC[C@@H](CNC(=O)C(=O)c3ccco3)O2)CC1 ZINC000299780148 258089686 /nfs/dbraw/zinc/08/96/86/258089686.db2.gz RVQFTOWCIBIZTI-AWEZNQCLSA-N 1 0 334.416 2.001 50 0 EEAARO O=C(NC[C@H]1COCCO1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299782886 258091020 /nfs/dbraw/zinc/09/10/20/258091020.db2.gz WDZNXNIEPTXSTD-SFHVURJKSA-N 1 0 332.444 2.208 50 0 EEAARO O=C(CSCC[NH+]1CCCC1)NCc1nc2cc(F)ccc2[nH]1 ZINC000299789871 258095688 /nfs/dbraw/zinc/09/56/88/258095688.db2.gz AIMQNIIJGCUFMC-UHFFFAOYSA-N 1 0 336.436 2.147 50 0 EEAARO CC(C)CN1C(=O)N(CCCc2cccnc2)C(=O)C12CC[NH2+]CC2 ZINC000299791964 258097294 /nfs/dbraw/zinc/09/72/94/258097294.db2.gz CQFFEVIKSMVXOQ-UHFFFAOYSA-N 1 0 344.459 2.057 50 0 EEAARO O=C(NCCCc1nccs1)C1CC[NH+](C2CCOCC2)CC1 ZINC000299796896 258101293 /nfs/dbraw/zinc/10/12/93/258101293.db2.gz NTQYIEJQABJVTM-UHFFFAOYSA-N 1 0 337.489 2.083 50 0 EEAARO Cc1ccc(N2C[C@H](C)N(C(=O)CCC[NH+]3CCCC3)CC2=O)cc1 ZINC000082087344 132818456 /nfs/dbraw/zinc/81/84/56/132818456.db2.gz XIUWLIYVHNMWIN-KRWDZBQOSA-N 1 0 343.471 2.435 50 0 EEAARO Cc1n[nH]cc1C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000121060112 221747043 /nfs/dbraw/zinc/74/70/43/221747043.db2.gz DUIDKOOILDECHD-UHFFFAOYSA-N 1 0 342.399 2.298 50 0 EEAARO COc1cccc(-c2cc(C(=O)N3CC[C@@]4(C3)CCC[NH2+]C4)[nH]n2)c1 ZINC000067432845 274144169 /nfs/dbraw/zinc/14/41/69/274144169.db2.gz FIEUYDYANHCTFV-IBGZPJMESA-N 1 0 340.427 2.301 50 0 EEAARO CC(=O)c1ccccc1C(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000072422016 277115359 /nfs/dbraw/zinc/11/53/59/277115359.db2.gz ZBULVFPTMMWMMI-HNNXBMFYSA-N 1 0 344.455 2.462 50 0 EEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(c3nccc4ccccc43)CC[C@H]21 ZINC000072430077 277271105 /nfs/dbraw/zinc/27/11/05/277271105.db2.gz XJOQKTQMCZNGJS-FUHWJXTLSA-N 1 0 338.455 2.272 50 0 EEAARO COc1ccc([C@H]2CCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000028081646 295249589 /nfs/dbraw/zinc/24/95/89/295249589.db2.gz DLCSDMLYRIAMCY-OAHLLOKOSA-N 1 0 331.416 2.163 50 0 EEAARO C[NH+](C)C[C@@H]1CCN(C(=O)NCCc2ccc(-n3cccn3)cc2)C1 ZINC000129414457 323327962 /nfs/dbraw/zinc/32/79/62/323327962.db2.gz KHRCUUKHMJFFHQ-KRWDZBQOSA-N 1 0 341.459 2.008 50 0 EEAARO Cc1cc(N[C@H]2COC[C@@H]2[NH+]2CCCC2)nc(-c2cccnc2)n1 ZINC000534632908 448458013 /nfs/dbraw/zinc/45/80/13/448458013.db2.gz LTMGBHFSDVRALC-HOTGVXAUSA-N 1 0 325.416 2.122 50 0 EEAARO C[NH+](C)C1(CNC(=O)N(Cc2cocn2)Cc2cocn2)CCCC1 ZINC000534641497 468269246 /nfs/dbraw/zinc/26/92/46/468269246.db2.gz HLVJQKASFFZOCK-UHFFFAOYSA-N 1 0 347.419 2.249 50 0 EEAARO COC(=O)[C@@H](NC(=O)NC1CC[NH+](Cc2ccccc2)CC1)C(C)C ZINC000000544938 462570179 /nfs/dbraw/zinc/57/01/79/462570179.db2.gz RRLQVECBYBFEDV-KRWDZBQOSA-N 1 0 347.459 2.148 50 0 EEAARO COc1cccc(C(=O)Cn2c3ccccc3nc2NCCO)c1 ZINC000001824628 462587710 /nfs/dbraw/zinc/58/77/10/462587710.db2.gz BYECYQMFLKEYEW-UHFFFAOYSA-N 1 0 325.368 2.332 50 0 aggregator EEAARO C[NH+](C)CCNS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000002641306 462598242 /nfs/dbraw/zinc/59/82/42/462598242.db2.gz CUQBJCWLFKFJJL-UHFFFAOYSA-N 1 0 330.759 2.199 50 0 EEAARO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CCCN1C(C)=O ZINC000114679579 462669543 /nfs/dbraw/zinc/66/95/43/462669543.db2.gz IPWZBYPDNARLPU-QGZVFWFLSA-N 1 0 347.459 2.357 50 0 EEAARO COc1cccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c1OC ZINC000006259238 462680996 /nfs/dbraw/zinc/68/09/96/462680996.db2.gz MCMDFBGSCTVRAS-ZBFHGGJFSA-N 1 0 340.423 2.485 50 0 EEAARO CCOC(=O)c1sc2nc(SCC[NH+](C)C)nc(N)c2c1C ZINC000006719126 462700037 /nfs/dbraw/zinc/70/00/37/462700037.db2.gz SXSQIYORJDPVGS-UHFFFAOYSA-N 1 0 340.474 2.412 50 0 EEAARO Cc1cccc(C)c1NC(=O)CN(C)C(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000007340606 462731162 /nfs/dbraw/zinc/73/11/62/462731162.db2.gz PQISBWDRPPBQNR-CQSZACIVSA-N 1 0 331.460 2.432 50 0 EEAARO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000089926010 462742817 /nfs/dbraw/zinc/74/28/17/462742817.db2.gz HVSBPBAXTNTWGB-SFHVURJKSA-N 1 0 343.427 2.137 50 0 EEAARO CCc1cc(N[C@@H](CC)c2ccnn2C)nc(N2CCOCC2)[nH+]1 ZINC000065385325 462760637 /nfs/dbraw/zinc/76/06/37/462760637.db2.gz WTEWAXHXRBDIBN-AWEZNQCLSA-N 1 0 330.436 2.172 50 0 EEAARO COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCCN2CCCC2=O)cc1 ZINC000008429100 462783793 /nfs/dbraw/zinc/78/37/93/462783793.db2.gz AGNVXUZORFTRAK-CQSZACIVSA-N 1 0 333.432 2.014 50 0 EEAARO COC(=O)c1c(C)[nH]c(C(=O)NCc2ccccc2C[NH+](C)C)c1C ZINC000008745565 462795193 /nfs/dbraw/zinc/79/51/93/462795193.db2.gz FDQKCBLUNQNALS-UHFFFAOYSA-N 1 0 343.427 2.410 50 0 EEAARO Cc1c(C(=O)NC[C@H](O)C[NH+]2CCCC2)[nH]c2c1c(C)ccc2C ZINC000091289383 462870724 /nfs/dbraw/zinc/87/07/24/462870724.db2.gz JSGXBWXTEDCZOA-HNNXBMFYSA-N 1 0 329.444 2.280 50 0 EEAARO OCCO[C@H]1C[C@@H](O)C12CC[NH+](Cc1ccc(Cl)s1)CC2 ZINC000091304662 462871822 /nfs/dbraw/zinc/87/18/22/462871822.db2.gz ASZRNVIZKVRRTA-OLZOCXBDSA-N 1 0 331.865 2.126 50 0 EEAARO O=c1cc(-c2ccncc2)nc(-c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000048257904 462881699 /nfs/dbraw/zinc/88/16/99/462881699.db2.gz PNTVGJFXEJCCQS-QGZVFWFLSA-N 1 0 348.406 2.066 50 0 EEAARO CC[NH+](CC)CCCNC(=O)Nc1cn(C)c(=O)c2ccccc12 ZINC000015680452 462960410 /nfs/dbraw/zinc/96/04/10/462960410.db2.gz VCJOMQRNLQVJKR-UHFFFAOYSA-N 1 0 330.432 2.392 50 0 EEAARO CCNc1nc(N2CCN(C(=O)c3ccccc3C)CC2)cc(C)[nH+]1 ZINC000067612492 463026554 /nfs/dbraw/zinc/02/65/54/463026554.db2.gz PRFPYKFOBWARJR-UHFFFAOYSA-N 1 0 339.443 2.488 50 0 EEAARO C[C@@H](Oc1ccccc1)C(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000022324450 463049117 /nfs/dbraw/zinc/04/91/17/463049117.db2.gz OLRHTVLVPBUELY-OAHLLOKOSA-N 1 0 340.427 2.239 50 0 EEAARO C[C@H](NC(=O)Nc1ccc2c(c1)OCC(=O)N2)C(C)(C)C[NH+](C)C 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1410367659 /nfs/dbraw/zinc/36/76/59/1410367659.db2.gz ARMKSWDNEDMDOX-LJQANCHMSA-N 1 0 329.488 2.451 50 0 EEAARO CC(C)C[C@H]([NH3+])c1nc(C(=O)NCc2[nH]nc3ncccc32)cs1 ZINC001772817348 1410372593 /nfs/dbraw/zinc/37/25/93/1410372593.db2.gz CJLWCSIHXDDLJQ-NSHDSACASA-N 1 0 344.444 2.390 50 0 EEAARO O=c1cc2c(nn1CC1CC[NH+](CC3(O)CCCC3)CC1)CCCC2 ZINC000585501415 792896574 /nfs/dbraw/zinc/89/65/74/792896574.db2.gz ZIUBHNGOYANQLD-UHFFFAOYSA-N 1 0 345.487 2.139 50 0 EEAARO OC[C@@H]1CCC[N@@H+](C2CCN(c3ncnc4sccc43)CC2)C1 ZINC000032593221 793567611 /nfs/dbraw/zinc/56/76/11/793567611.db2.gz MUEZGZJOEDPSTO-CYBMUJFWSA-N 1 0 332.473 2.364 50 0 EEAARO CC(C)Cc1cc(C(=O)NCCC[N@H+](C)C2CCCC2)nc(N)n1 ZINC000952873378 796059000 /nfs/dbraw/zinc/05/90/00/796059000.db2.gz VZQSQTBKYGEKBA-UHFFFAOYSA-N 1 0 333.480 2.252 50 0 EEAARO [NH3+][C@H](c1nc(COc2ccccc2)nn1CCO)C1CCCCC1 ZINC000952976946 796122242 /nfs/dbraw/zinc/12/22/42/796122242.db2.gz VRMCQIAVSFUBIT-KRWDZBQOSA-N 1 0 330.432 2.430 50 0 EEAARO C[NH+](C)Cc1cccc(-c2nc(CC(N)=O)nn2Cc2ccccc2)c1 ZINC000823709386 798760558 /nfs/dbraw/zinc/76/05/58/798760558.db2.gz OHRKCPSXTWMPTL-UHFFFAOYSA-N 1 0 349.438 2.083 50 0 EEAARO Cc1cc(C)n(C[C@@H](C)[N@@H+]2CCCN(Cc3ccccn3)CC2)n1 ZINC001506418010 1114601294 /nfs/dbraw/zinc/60/12/94/1114601294.db2.gz MZUFZOWBCYAUTD-GOSISDBHSA-N 1 0 327.476 2.491 50 0 EEAARO COCC[N@@H+]1CC[C@@H](C(=O)Nc2c(-c3ccccc3)c(C)nn2C)C1 ZINC001506430749 1114604980 /nfs/dbraw/zinc/60/49/80/1114604980.db2.gz BXDVOBFABYGVFY-MRXNPFEDSA-N 1 0 342.443 2.302 50 0 EEAARO COCC[NH+](CCOC)Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000054105871 214216485 /nfs/dbraw/zinc/21/64/85/214216485.db2.gz AKNBMTLPQVUEPW-UHFFFAOYSA-N 1 0 331.412 2.377 50 0 EEAARO COCCN(CCOc1ccccc1F)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000097776129 219056847 /nfs/dbraw/zinc/05/68/47/219056847.db2.gz JYWLUDJPLXIOKO-INIZCTEOSA-N 1 0 338.423 2.164 50 0 EEAARO CCc1c(C)nc2n(c1=O)CN(CC[NH+](C)C)CN2c1ccccc1 ZINC000101445179 219127277 /nfs/dbraw/zinc/12/72/77/219127277.db2.gz IDGJKZGPROILKI-UHFFFAOYSA-N 1 0 341.459 2.044 50 0 EEAARO CCOc1ccc2[nH]c(=O)c(C[N@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)cc2c1 ZINC000102125015 219187201 /nfs/dbraw/zinc/18/72/01/219187201.db2.gz HRZPDFOZBINIHD-ZSHCYNCHSA-N 1 0 328.412 2.415 50 0 EEAARO COc1ccc(-n2cccn2)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000067641766 215172223 /nfs/dbraw/zinc/17/22/23/215172223.db2.gz HJRQAAZGYBDUDS-IBGZPJMESA-N 1 0 326.444 2.456 50 0 EEAARO CCNC(=O)NC[C@H]1CCC[N@H+](Cc2coc3ccccc3c2=O)C1 ZINC000067695862 215189359 /nfs/dbraw/zinc/18/93/59/215189359.db2.gz UJXHKEWGTDJGGQ-CQSZACIVSA-N 1 0 343.427 2.324 50 0 EEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cc(-c3ccc(O)cc3)n[nH]1)C2 ZINC000067758975 215206728 /nfs/dbraw/zinc/20/67/28/215206728.db2.gz DTYRGTLPNZWYAY-UONOGXRCSA-N 1 0 326.400 2.091 50 0 EEAARO CN(Cc1cc(C(=O)NCC[NH+]2CCCC2)no1)Cc1ccccc1 ZINC000067852093 215231568 /nfs/dbraw/zinc/23/15/68/215231568.db2.gz LAXVMSZOKRYOMA-UHFFFAOYSA-N 1 0 342.443 2.132 50 0 EEAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1cccc2c1OCC2 ZINC000067871386 215236243 /nfs/dbraw/zinc/23/62/43/215236243.db2.gz HVJHGWHXQRYONS-UHFFFAOYSA-N 1 0 344.455 2.242 50 0 EEAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)Cc2[nH]nc3c2CCCC3)n1 ZINC000067920127 215250405 /nfs/dbraw/zinc/25/04/05/215250405.db2.gz CSXADMGTVMESEK-CQSZACIVSA-N 1 0 340.475 2.490 50 0 EEAARO COc1ccccc1NC(=O)NCCNc1nc(N(C)C)cc(C)[nH+]1 ZINC000036708128 213112463 /nfs/dbraw/zinc/11/24/63/213112463.db2.gz HKFVRIAAWGQYDN-UHFFFAOYSA-N 1 0 344.419 2.093 50 0 EEAARO O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1nc2ncccn2n1 ZINC000036618737 213103438 /nfs/dbraw/zinc/10/34/38/213103438.db2.gz YYCWSSRAWZYSNT-UHFFFAOYSA-N 1 0 336.399 2.363 50 0 EEAARO Cc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)c(=O)n1C ZINC000072145125 216030697 /nfs/dbraw/zinc/03/06/97/216030697.db2.gz GFZPCCBZEBNLGZ-SFHVURJKSA-N 1 0 345.487 2.276 50 0 EEAARO O=C([O-])[C@]12CCC[NH2+][C@@H]1CC[N@H+](Cc1ccc(-c3cc[nH]n3)s1)C2 ZINC000072156081 216045176 /nfs/dbraw/zinc/04/51/76/216045176.db2.gz IOKSFLQMZJLNEP-WBVHZDCISA-N 1 0 346.456 2.167 50 0 EEAARO Cc1ccc(-c2cc(C[N@H+]3C[C@@H]4C[C@@H](O)[C@@H](O)C[C@@H]4C3)on2)cc1 ZINC000072165330 216054729 /nfs/dbraw/zinc/05/47/29/216054729.db2.gz UUPOLIRYKHJZRS-DJDHSFSDSA-N 1 0 328.412 2.214 50 0 EEAARO Cc1ncc2c(c1CNC(=O)[C@@H](C)Oc1ccccc1)CC[NH2+]C2 ZINC000072418786 216207818 /nfs/dbraw/zinc/20/78/18/216207818.db2.gz UTMUHXKABVFNAI-CQSZACIVSA-N 1 0 325.412 2.119 50 0 EEAARO COc1cc(Cl)cc(CN2CCC[C@@](O)(C[NH+](C)C)C2)c1OC ZINC000072434693 216229581 /nfs/dbraw/zinc/22/95/81/216229581.db2.gz BMOCEYDAMNENQH-QGZVFWFLSA-N 1 0 342.867 2.246 50 0 EEAARO C[NH+](C)C[C@]1(O)CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072436452 216230503 /nfs/dbraw/zinc/23/05/03/216230503.db2.gz RFEFCPHSKRPXTH-OAHLLOKOSA-N 1 0 332.366 2.474 50 0 EEAARO C[NH+](C)C[C@H]1CCN(C(=O)NCCc2ccc(Br)o2)C1 ZINC000130391403 223149506 /nfs/dbraw/zinc/14/95/06/223149506.db2.gz UVYVAKIVYOUPHD-LLVKDONJSA-N 1 0 344.253 2.178 50 0 EEAARO Cc1csc(=O)n1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000027335684 212553235 /nfs/dbraw/zinc/55/32/35/212553235.db2.gz GPUNOWTXPHLRMJ-CQSZACIVSA-N 1 0 349.456 2.155 50 0 EEAARO C[NH+](C)C1(CNC(=O)c2cccc(OC(F)F)c2)CCOCC1 ZINC000073133098 216353929 /nfs/dbraw/zinc/35/39/29/216353929.db2.gz KQKZOJUUPFKGGK-UHFFFAOYSA-N 1 0 328.359 2.129 50 0 EEAARO CCC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](C)CC1)n2CC ZINC000022936087 212337847 /nfs/dbraw/zinc/33/78/47/212337847.db2.gz QHKOLQGBXKKQJF-UHFFFAOYSA-N 1 0 329.448 2.152 50 0 EEAARO Brc1ccc2[nH]cc(C[NH2+]CCN3CCOCC3)c2c1 ZINC000022804476 212324618 /nfs/dbraw/zinc/32/46/18/212324618.db2.gz VZMPOUVFYUKLED-UHFFFAOYSA-N 1 0 338.249 2.352 50 0 EEAARO CN(Cc1ccc2c(c1)C[N@@H+](C)C2)C(=O)c1c[nH]c(=O)c(Cl)c1 ZINC000216498409 241198517 /nfs/dbraw/zinc/19/85/17/241198517.db2.gz GWDGPSKSMHZCCX-UHFFFAOYSA-N 1 0 331.803 2.246 50 0 EEAARO COc1cc2c(cc1C[N@H+](C)CCn1ccnc1C)OCCCO2 ZINC000216499860 241198873 /nfs/dbraw/zinc/19/88/73/241198873.db2.gz PRCGHBOAJJEIJK-UHFFFAOYSA-N 1 0 331.416 2.493 50 0 EEAARO COc1cc2c(cc1C[N@H+](C)CCc1cnn(C)c1)OCCCO2 ZINC000215568903 241135311 /nfs/dbraw/zinc/13/53/11/241135311.db2.gz FFAQNCHDECCHOD-UHFFFAOYSA-N 1 0 331.416 2.265 50 0 EEAARO CO[C@]12CC[N@H+](Cc3sc(N(C)C)nc3Cl)[C@H]1C[C@H](O)CC2 ZINC000426658558 241322269 /nfs/dbraw/zinc/32/22/69/241322269.db2.gz UPDAKUMLXYPMHO-IFUGULHKSA-N 1 0 345.896 2.367 50 0 EEAARO Cc1ccc(-c2ccc(C(=O)NC[C@@H](O)C[NH+]3CCCC3)cc2)cn1 ZINC000426604225 241316460 /nfs/dbraw/zinc/31/64/60/241316460.db2.gz DTPBOOVGNSNVJE-LJQANCHMSA-N 1 0 339.439 2.244 50 0 EEAARO CCc1ccc(N2CC[C@@H](C(=O)NCCC[NH+]3CCCC3)C2=O)cc1 ZINC000021642727 212236311 /nfs/dbraw/zinc/23/63/11/212236311.db2.gz VZQCAPVAZYJRCV-SFHVURJKSA-N 1 0 343.471 2.204 50 0 EEAARO O=C(CCc1nc2cccnc2[nH]1)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000229998263 242222536 /nfs/dbraw/zinc/22/25/36/242222536.db2.gz DIUWVPAWFJFQPU-ZBFHGGJFSA-N 1 0 341.459 2.271 50 0 EEAARO OCC[C@@H]1CN(Cc2cccc(O)c2)CC[N@@H+]1Cc1ccccc1 ZINC000020995540 212195659 /nfs/dbraw/zinc/19/56/59/212195659.db2.gz DDVJGPRBBWNSOT-LJQANCHMSA-N 1 0 326.440 2.461 50 0 EEAARO COc1ccccc1CNC(=O)CC[N@H+](C)[C@H](C)c1ccncn1 ZINC000244633542 243046331 /nfs/dbraw/zinc/04/63/31/243046331.db2.gz GESPMYKHDYCSKD-CQSZACIVSA-N 1 0 328.416 2.185 50 0 EEAARO Cc1cc(C(F)(F)F)nc(N2CC[NH+](C[C@@H]3CCCOC3)CC2)n1 ZINC000244873204 243090474 /nfs/dbraw/zinc/09/04/74/243090474.db2.gz WLRMPEHHOTXXEU-ZDUSSCGKSA-N 1 0 344.381 2.352 50 0 EEAARO Cn1c(=O)[nH]cc(CC[NH+]2CCC3(C=Cc4ccccc43)CC2)c1=O ZINC000253536745 244015570 /nfs/dbraw/zinc/01/55/70/244015570.db2.gz MZUJHJGZQPCENW-UHFFFAOYSA-N 1 0 337.423 2.089 50 0 EEAARO Cc1n[nH]c(CCC(=O)N2CCN(c3cc(C)[nH+]c(C)c3)CC2)c1C ZINC000077504633 216921203 /nfs/dbraw/zinc/92/12/03/216921203.db2.gz ZULXIBVJMJSOAC-UHFFFAOYSA-N 1 0 341.459 2.320 50 0 EEAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@@H]([NH2+]CCOC)C2 ZINC000014750847 211760451 /nfs/dbraw/zinc/76/04/51/211760451.db2.gz NNWOZILMGIWNSD-OAHLLOKOSA-N 1 0 348.491 2.013 50 0 EEAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C(C)C)CC2)cc1C ZINC000012441419 211383454 /nfs/dbraw/zinc/38/34/54/211383454.db2.gz PSZSKAWOWZNBMX-UHFFFAOYSA-N 1 0 331.460 2.479 50 0 EEAARO Cc1cccc(C[NH2+]C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)n1 ZINC000012306568 211342806 /nfs/dbraw/zinc/34/28/06/211342806.db2.gz LGMFUKSMJSSWDE-FQEVSTJZSA-N 1 0 345.487 2.413 50 0 EEAARO CC[N@H+](C)C[C@@H]1CN(C(=O)Cc2ccc(F)c(Cl)c2)C[C@@H]1CO ZINC000091586139 218025918 /nfs/dbraw/zinc/02/59/18/218025918.db2.gz CEOVPQRWWRYCDN-ZIAGYGMSSA-N 1 0 342.842 2.040 50 0 EEAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)C1CCCC1 ZINC000011697760 211238358 /nfs/dbraw/zinc/23/83/58/211238358.db2.gz AJSGHQFQBWNJMO-UHFFFAOYSA-N 1 0 326.404 2.334 50 0 EEAARO CC(C)c1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)on1 ZINC000091643861 218037822 /nfs/dbraw/zinc/03/78/22/218037822.db2.gz SHENPVJKURTCHI-HZPDHXFCSA-N 1 0 349.475 2.355 50 0 EEAARO COc1ccc(C[NH+]2CCC3(CCC(=O)N(CCO)C3)CC2)c(C)c1 ZINC000091656329 218040890 /nfs/dbraw/zinc/04/08/90/218040890.db2.gz NNXHEZITOIUDLE-UHFFFAOYSA-N 1 0 346.471 2.201 50 0 EEAARO CN(C)Cc1nnc(C2CC[NH+](C3CCOCC3)CC2)n1C1CC1 ZINC000092028168 218105419 /nfs/dbraw/zinc/10/54/19/218105419.db2.gz QRINHRGJOZBIOF-UHFFFAOYSA-N 1 0 333.480 2.033 50 0 EEAARO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1cc3ccccc3o1)C2 ZINC000095371034 218304546 /nfs/dbraw/zinc/30/45/46/218304546.db2.gz AQAFREINSGZNEB-UKRRQHHQSA-N 1 0 334.441 2.289 50 0 EEAARO COC(=O)c1c(C)[nH]c(C(=O)NCCC[NH+]2CCC(C)CC2)c1C ZINC000008923770 211019193 /nfs/dbraw/zinc/01/91/93/211019193.db2.gz ZTCHOKTUIYLIRP-UHFFFAOYSA-N 1 0 335.448 2.270 50 0 EEAARO O=C1C[C@@H](N2CCC([NH+]3CCCCC3)CC2)C(=O)N1c1ccccc1 ZINC000005043922 210372435 /nfs/dbraw/zinc/37/24/35/210372435.db2.gz WLSDQQGJJDATQS-GOSISDBHSA-N 1 0 341.455 2.269 50 0 EEAARO CN(CC(=O)NCc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000097288838 219009174 /nfs/dbraw/zinc/00/91/74/219009174.db2.gz YGHUGSPJXHKZRT-UHFFFAOYSA-N 1 0 329.366 2.005 50 0 EEAARO COc1ccc(F)c(F)c1CN1CC[NH+](C2CCOCC2)CC1 ZINC000097468326 219027832 /nfs/dbraw/zinc/02/78/32/219027832.db2.gz 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EEAARO O=C(NCc1cc2n(n1)CCC[NH2+]C2)c1csc2c1CCCC2 ZINC000082138634 463518602 /nfs/dbraw/zinc/51/86/02/463518602.db2.gz LVKAYRZCCQMOPN-UHFFFAOYSA-N 1 0 330.457 2.247 50 0 EEAARO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)c2ccccc2C(F)(F)F)C[C@@H]1C ZINC000106840994 463541925 /nfs/dbraw/zinc/54/19/25/463541925.db2.gz DOUPIVQVUXYFJV-XEZPLFJOSA-N 1 0 346.393 2.126 50 0 EEAARO C[C@H]1C[NH2+]CCN1C(=O)/C=C/c1ccc(OCc2ccccn2)cc1 ZINC000126385243 463631363 /nfs/dbraw/zinc/63/13/63/463631363.db2.gz RFBPOUZXBYCCAU-JCVNQNCUSA-N 1 0 337.423 2.494 50 0 EEAARO COc1cc2c(cc1C[NH+]1CCC(c3nnc[nH]3)CC1)OCCCO2 ZINC000215684588 464106927 /nfs/dbraw/zinc/10/69/27/464106927.db2.gz AQNZUJIBPAMIJR-UHFFFAOYSA-N 1 0 344.415 2.354 50 0 EEAARO Cc1ccc2nc(C[N@@H+](Cc3cnn(C)c3)CC(C)C)cc(=O)n2c1 ZINC000241081884 464449207 /nfs/dbraw/zinc/44/92/07/464449207.db2.gz YRXNPJQSWHXJDE-UHFFFAOYSA-N 1 0 339.443 2.395 50 0 EEAARO O=C(C[NH+]1CCCCC1)N[C@@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244795965 464463531 /nfs/dbraw/zinc/46/35/31/464463531.db2.gz RQMWCVSEARLPHG-QKLQHJQFSA-N 1 0 344.455 2.036 50 0 EEAARO Cc1ccccc1COC1CN(c2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)C1 ZINC000252536002 464981427 /nfs/dbraw/zinc/98/14/27/464981427.db2.gz HKXBYBANRXYVJQ-GASCZTMLSA-N 1 0 340.427 2.011 50 0 EEAARO COc1ccc(CCCNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000417207245 466802198 /nfs/dbraw/zinc/80/21/98/466802198.db2.gz MODFPLHXPXBQSN-IBGZPJMESA-N 1 0 331.460 2.413 50 0 EEAARO CCCn1ccnc1CNC(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000534586788 468265722 /nfs/dbraw/zinc/26/57/22/468265722.db2.gz QECJYWCVNAORJT-HNNXBMFYSA-N 1 0 330.432 2.415 50 0 EEAARO C[NH+](C)[C@@H]1CCN(C(=O)c2ccc(-c3ncnc4[nH]ccc43)cc2)C1 ZINC000534587347 468266104 /nfs/dbraw/zinc/26/61/04/468266104.db2.gz UBZDVBOBBYGWKS-OAHLLOKOSA-N 1 0 335.411 2.401 50 0 EEAARO Fc1ccc(C[NH+]2CCC(Nc3nnc4ccccn43)CC2)cc1 ZINC000584890257 468956271 /nfs/dbraw/zinc/95/62/71/468956271.db2.gz GJEIUZLVUNYNTJ-UHFFFAOYSA-N 1 0 325.391 2.945 50 0 EEAARO NCc1nc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCCC2)co1 ZINC000670471430 485654658 /nfs/dbraw/zinc/65/46/58/485654658.db2.gz IOKMHNWHKLTQGZ-QGZVFWFLSA-N 1 0 342.443 2.480 50 0 EEAARO C[NH+](C)[C@H]1CCCN(CCC(=O)Nc2nnc(C3CC3)s2)CC1 ZINC000244794918 536138235 /nfs/dbraw/zinc/13/82/35/536138235.db2.gz QWJWENPOGGJTLY-ZDUSSCGKSA-N 1 0 337.493 2.160 50 0 EEAARO CCCc1noc(CN(C)CC2([NH+]3CCOCC3)CCCCC2)n1 ZINC000022909975 678250227 /nfs/dbraw/zinc/25/02/27/678250227.db2.gz RNLLUFZUXNXRQF-UHFFFAOYSA-N 1 0 336.480 2.489 50 0 EEAARO C[N@@H+]1CC[C@@H](O)[C@H](CN2CCc3[nH]c4c(cccc4Cl)c3C2)C1 ZINC000020877576 683589333 /nfs/dbraw/zinc/58/93/33/683589333.db2.gz GTBZNCPRIJMFCJ-YVEFUNNKSA-N 1 0 333.863 2.492 50 0 EEAARO c1nc2ncnc(N3C[C@@H]4C[NH2+]C[C@@]4(CCc4ccccc4)C3)c2[nH]1 ZINC001772704323 1179290541 /nfs/dbraw/zinc/29/05/41/1179290541.db2.gz FEATZWZEEDSVEI-KXBFYZLASA-N 1 0 334.427 2.012 50 0 EEAARO CCCc1cc(C(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)no1 ZINC000082099448 1188876314 /nfs/dbraw/zinc/87/63/14/1188876314.db2.gz DLHXWGGJUGQITJ-MRXNPFEDSA-N 1 0 335.448 2.344 50 0 EEAARO CCn1cnnc1C1CC[NH+](CC(=O)N(C2CC2)C2CCCC2)CC1 ZINC000107305663 1204913599 /nfs/dbraw/zinc/91/35/99/1204913599.db2.gz RWOABULBLUJGDQ-UHFFFAOYSA-N 1 0 345.491 2.411 50 0 EEAARO c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000112200854 1204980680 /nfs/dbraw/zinc/98/06/80/1204980680.db2.gz DRSIJMPQJQGCKV-GOSISDBHSA-N 1 0 340.471 2.417 50 0 EEAARO COc1cc(/C=C/C[NH2+][C@@H]2CCCN(c3ncccn3)C2)ccc1O ZINC000015079267 1226513654 /nfs/dbraw/zinc/51/36/54/1226513654.db2.gz AUBMOPDTTGXQGV-OUGHUQCRSA-N 1 0 340.427 2.463 50 0 EEAARO OCCc1cn(C2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)nn1 ZINC000020255474 1229496107 /nfs/dbraw/zinc/49/61/07/1229496107.db2.gz SHNXGXYKHZWDMR-LJQANCHMSA-N 1 0 326.444 2.007 50 0 EEAARO Fc1ccc(O[C@H]2CCCN(Cc3cc4n(n3)CC[NH2+]C4)C2)cc1 ZINC000072167867 1370313477 /nfs/dbraw/zinc/31/34/77/1370313477.db2.gz DJPAYXCDUCRSPI-SFHVURJKSA-N 1 0 330.407 2.169 50 0 EEAARO Cc1ccc(C[N@@H+]2C[C@@H]3CN(c4nccs4)C[C@]3(CO)C2)s1 ZINC001772812111 1410369727 /nfs/dbraw/zinc/36/97/27/1410369727.db2.gz AQTZVGOGXZPBTL-CJNGLKHVSA-N 1 0 335.498 2.444 50 0 EEAARO CN1C[C@@H](C[N@@H+]2CCCN(Cc3cccc(F)c3)CC2)CCC1=O ZINC001772811194 1410370685 /nfs/dbraw/zinc/37/06/85/1410370685.db2.gz UKCURYKPUNXPBI-KRWDZBQOSA-N 1 0 333.451 2.202 50 0 EEAARO Cc1ccc(CN2C[C@H]3CN(C(=O)C4CCC4)C[C@]3(C[NH+](C)C)C2)o1 ZINC001772814743 1410371144 /nfs/dbraw/zinc/37/11/44/1410371144.db2.gz QUFCMNGIWHIECX-PXNSSMCTSA-N 1 0 345.487 2.210 50 0 EEAARO OC[C@]12CN(c3ncccn3)C[C@H]1C[N@H+](Cc1cccc(Cl)c1)C2 ZINC001772818784 1410372477 /nfs/dbraw/zinc/37/24/77/1410372477.db2.gz LCGACVMAVTUWLH-QAPCUYQASA-N 1 0 344.846 2.061 50 0 EEAARO O=c1c2ccc(Cl)cc2ncn1CCC[N@H+]1CCC[C@H](CO)C1 ZINC000199289224 783016144 /nfs/dbraw/zinc/01/61/44/783016144.db2.gz IBFGJOCAMIPDCN-ZDUSSCGKSA-N 1 0 335.835 2.144 50 0 EEAARO CC1=C(C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)OCCO1 ZINC000952968177 796131951 /nfs/dbraw/zinc/13/19/51/796131951.db2.gz OVRKWJROFUBHBN-UHFFFAOYSA-N 1 0 346.471 2.234 50 0 EEAARO COCC(=O)N(C)C[C@@H]1CCC[N@H+](CCc2ccccc2OC)C1 ZINC000011815463 798540971 /nfs/dbraw/zinc/54/09/71/798540971.db2.gz FHVNOXKYWCUPEK-INIZCTEOSA-N 1 0 334.460 2.055 50 0 EEAARO CCn1nc(Cc2ccc(OC)c(OC)c2)nc1[C@@]1(C)CC[N@H+](C)C1 ZINC000824603786 800282452 /nfs/dbraw/zinc/28/24/52/800282452.db2.gz PKICASZHEDYDSF-IBGZPJMESA-N 1 0 344.459 2.499 50 0 EEAARO Cc1n[nH]c(C)c1CCC[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC001506407102 1114598168 /nfs/dbraw/zinc/59/81/68/1114598168.db2.gz ODHHGKNGUYIMCY-UHFFFAOYSA-N 1 0 341.459 2.249 50 0 EEAARO CSCCN1CCC([NH2+][C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC001506421372 1114601723 /nfs/dbraw/zinc/60/17/23/1114601723.db2.gz HTWDAWIZQOZOMO-MRXNPFEDSA-N 1 0 339.549 2.195 50 0 EEAARO O=C(C1CC[NH+](CCn2ccnc2)CC1)N1CCc2ccccc2C1 ZINC001506430209 1114604978 /nfs/dbraw/zinc/60/49/78/1114604978.db2.gz YMRJDJPFYDSDBU-UHFFFAOYSA-N 1 0 338.455 2.180 50 0 EEAARO CCn1nc(NC[C@H]2C[N@H+](Cc3ccccc3)CCCO2)nc1OC ZINC001529099262 1121311770 /nfs/dbraw/zinc/31/17/70/1121311770.db2.gz VGVPMXXPPSQYET-INIZCTEOSA-N 1 0 345.447 2.010 50 0 EEAARO CC[C@H](C(=O)N1CCC[N@H+](CCn2cnnc2)CC1)c1ccccc1 ZINC001529197602 1121365640 /nfs/dbraw/zinc/36/56/40/1121365640.db2.gz SWSQFNIPRDUKIR-SFHVURJKSA-N 1 0 341.459 2.006 50 0 EEAARO Cc1c(O)ccc2c(C[NH+]3CCC4(CC3)OCCO4)cc(=O)oc12 ZINC000054306983 214229965 /nfs/dbraw/zinc/22/99/65/214229965.db2.gz FMXHDWQMDDFAGX-UHFFFAOYSA-N 1 0 331.368 2.146 50 0 biogenic EEAARO C[C@@H](c1ccncn1)[N@H+](C)Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055198584 214287389 /nfs/dbraw/zinc/28/73/89/214287389.db2.gz VRXVUEWEUYPVQT-AWEZNQCLSA-N 1 0 337.427 2.500 50 0 EEAARO CCc1oc(C(=O)NC[C@@H](C)n2cncn2)cc1C[NH+]1CCCC1 ZINC000055412976 214321455 /nfs/dbraw/zinc/32/14/55/214321455.db2.gz KZKKZHYRGVPRCK-CYBMUJFWSA-N 1 0 331.420 2.020 50 0 EEAARO Cc1nc(CCNC(=O)C2CC[NH+](C(C)C)CC2)nc2c1CCCC2 ZINC000065398431 214891195 /nfs/dbraw/zinc/89/11/95/214891195.db2.gz OZQVCQHMGCYHLM-UHFFFAOYSA-N 1 0 344.503 2.443 50 0 EEAARO CC[NH+](CC)Cc1cnc2c(C(=O)N[C@@H]3C[C@H]4CC[C@@H]3C4)cnn2c1 ZINC000067674625 215179831 /nfs/dbraw/zinc/17/98/31/215179831.db2.gz GAJCFIBYMNKDIR-YSVLISHTSA-N 1 0 341.459 2.490 50 0 EEAARO COc1ccc(NC(C)(C)C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000067714329 215194131 /nfs/dbraw/zinc/19/41/31/215194131.db2.gz VRHIZTYJBTYSJG-IBGZPJMESA-N 1 0 331.460 2.488 50 0 EEAARO CCn1c(=O)n(CCOc2ccc(C)cc2C)nc1[C@@H]1CCC[NH2+]C1 ZINC000067817711 215220052 /nfs/dbraw/zinc/22/00/52/215220052.db2.gz VYDWXQIBDWYNNO-MRXNPFEDSA-N 1 0 344.459 2.228 50 0 EEAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)CCC(=O)Nc2cccc(O)c2)C1 ZINC000067852057 215231685 /nfs/dbraw/zinc/23/16/85/215231685.db2.gz KSYDUMIKDOLMKN-AWEZNQCLSA-N 1 0 345.443 2.196 50 0 EEAARO CCOc1ccc2[nH]c(=O)c(CN(C)C[C@@H]3CCC[N@@H+]3C)cc2c1 ZINC000067934413 215252804 /nfs/dbraw/zinc/25/28/04/215252804.db2.gz MGQFUKIASVXNRG-INIZCTEOSA-N 1 0 329.444 2.453 50 0 EEAARO COc1ccc(CNC(=O)[C@H]2Cc3ccccc3C[NH2+]2)cc1OC ZINC000035806762 213048931 /nfs/dbraw/zinc/04/89/31/213048931.db2.gz GLMYCIIBXGERTJ-MRXNPFEDSA-N 1 0 326.396 2.035 50 0 EEAARO Cn1nc(C(=O)NCCC[NH+]2CCCC2)c2c1-c1ccsc1CC2 ZINC000035504923 213034238 /nfs/dbraw/zinc/03/42/38/213034238.db2.gz DJKISMIHNKMQCM-UHFFFAOYSA-N 1 0 344.484 2.463 50 0 EEAARO Cc1ncc(C(=O)N2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000071748082 215804578 /nfs/dbraw/zinc/80/45/78/215804578.db2.gz DYVZNEUQNIMQHK-VAMGGRTRSA-N 1 0 348.450 2.487 50 0 EEAARO CN(Cc1cc2n(n1)CCC[NH2+]C2)Cc1ccc2nsnc2c1 ZINC000072146066 216032791 /nfs/dbraw/zinc/03/27/91/216032791.db2.gz CTWUNRTWDDVINO-UHFFFAOYSA-N 1 0 328.445 2.013 50 0 EEAARO COc1ccc(Br)cc1C[NH2+]CCNC(=O)C(C)C ZINC000037301122 213139184 /nfs/dbraw/zinc/13/91/84/213139184.db2.gz MXIJLYOJXOVYIL-UHFFFAOYSA-N 1 0 329.238 2.320 50 0 EEAARO Cn1c2ccccc2nc1-c1ccc(C[N@@H+]2CCC[C@@](O)(CO)C2)o1 ZINC000072418612 216205807 /nfs/dbraw/zinc/20/58/07/216205807.db2.gz KKWZWUAXNGUSNY-IBGZPJMESA-N 1 0 341.411 2.153 50 0 EEAARO Cc1cc(CNc2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)no1 ZINC000072432917 216227328 /nfs/dbraw/zinc/22/73/28/216227328.db2.gz GKDRTILIIAMTOH-UHFFFAOYSA-N 1 0 336.399 2.135 50 0 EEAARO O=C1CC[C@H]2C[N@H+](Cc3cnc[nH]3)CC[C@H]2N1CCc1ccccc1 ZINC000072435485 216229377 /nfs/dbraw/zinc/22/93/77/216229377.db2.gz YFUUQUYVONTTEF-PKOBYXMFSA-N 1 0 338.455 2.465 50 0 EEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccc(OC)cc2)n1 ZINC000072437371 216232560 /nfs/dbraw/zinc/23/25/60/216232560.db2.gz JKIOPACMLYFNDH-UHFFFAOYSA-N 1 0 329.404 2.067 50 0 EEAARO Cc1nc2c(c(NCc3nncn3C3CCCCC3)n1)CC[NH2+]CC2 ZINC000072462841 216245329 /nfs/dbraw/zinc/24/53/29/216245329.db2.gz GBQSRLHGRANSNL-UHFFFAOYSA-N 1 0 341.463 2.182 50 0 EEAARO COc1cccc([C@@H](CNC(=O)c2cnccn2)[NH+]2CCCC2)c1 ZINC000022619092 212311008 /nfs/dbraw/zinc/31/10/08/212311008.db2.gz VCFGHCUNHWFCIM-QGZVFWFLSA-N 1 0 326.400 2.052 50 0 EEAARO C[NH+](C)CC(C)(C)CNC(=O)C[C@H]1Sc2ccccc2NC1=O ZINC000022315748 212289004 /nfs/dbraw/zinc/28/90/04/212289004.db2.gz DBOPSEWAOLNMBT-CQSZACIVSA-N 1 0 335.473 2.194 50 0 EEAARO COc1ccc([C@H](O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000215323410 241121016 /nfs/dbraw/zinc/12/10/16/241121016.db2.gz MZWRALPKIIUUEY-SFHVURJKSA-N 1 0 332.444 2.206 50 0 EEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)NCc2c(F)cccc2Cl)C1 ZINC000426527767 241304011 /nfs/dbraw/zinc/30/40/11/241304011.db2.gz LVQVKHYUMXJHOA-INIZCTEOSA-N 1 0 343.830 2.077 50 0 EEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccc(C)cc1 ZINC000021868458 212256836 /nfs/dbraw/zinc/25/68/36/212256836.db2.gz KGGOHMLOJRLSRD-UHFFFAOYSA-N 1 0 342.439 2.339 50 0 biogenic EEAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CC(c2ccccc2OC)=NO1 ZINC000021778900 212248822 /nfs/dbraw/zinc/24/88/22/212248822.db2.gz SMHTUGAYQVJQQB-KRWDZBQOSA-N 1 0 333.432 2.036 50 0 EEAARO CC[NH+]1CCN(CCCNC(=S)Nc2ccc(OC)cc2)CC1 ZINC000020608853 212153799 /nfs/dbraw/zinc/15/37/99/212153799.db2.gz DUDAWDICRULNDA-UHFFFAOYSA-N 1 0 336.505 2.009 50 0 EEAARO CN1CCC([N@@H+]2CCC[C@@H](NC(=O)CCc3ccsc3)C2)CC1 ZINC000020540235 212145700 /nfs/dbraw/zinc/14/57/00/212145700.db2.gz HVGWMXAQHUSYCI-MRXNPFEDSA-N 1 0 335.517 2.356 50 0 EEAARO CCn1nc(C)c(CN2CC[N@H+](CC=C(C)C)[C@@H](CCO)C2)c1C ZINC000019771535 212063525 /nfs/dbraw/zinc/06/35/25/212063525.db2.gz UMDGKULSEULMHA-SFHVURJKSA-N 1 0 334.508 2.355 50 0 EEAARO Cc1cc(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)[nH]n1 ZINC000019733042 212058746 /nfs/dbraw/zinc/05/87/46/212058746.db2.gz KPYRTIKCMJIIOP-IBGZPJMESA-N 1 0 328.460 2.095 50 0 EEAARO CC(C)[NH+]1CCN(C(=O)[C@@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 ZINC000019641872 212053093 /nfs/dbraw/zinc/05/30/93/212053093.db2.gz PVGOXRNOEQEFBO-GOSISDBHSA-N 1 0 349.519 2.358 50 0 EEAARO COc1cccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(C)cc3)C2=O)c1 ZINC000019210607 212004629 /nfs/dbraw/zinc/00/46/29/212004629.db2.gz GRDGCIINJYUGAI-GOSISDBHSA-N 1 0 338.407 2.468 50 0 EEAARO CCC[NH+]1CCC2(CC1)C(=O)N(CCc1ccccc1)C(=O)N2C ZINC000014754820 211762260 /nfs/dbraw/zinc/76/22/60/211762260.db2.gz WJROQQOVTJQZNX-UHFFFAOYSA-N 1 0 329.444 2.368 50 0 EEAARO CCc1ccccc1NC(=O)C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000012441397 211383139 /nfs/dbraw/zinc/38/31/39/211383139.db2.gz GUZRYKCUSCQQIS-UHFFFAOYSA-N 1 0 331.460 2.424 50 0 EEAARO COC[C@H]1CCC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000012297520 211335371 /nfs/dbraw/zinc/33/53/71/211335371.db2.gz GNFZFPPAYBBTSJ-LBPRGKRZSA-N 1 0 331.372 2.324 50 0 EEAARO CNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012297159 211335164 /nfs/dbraw/zinc/33/51/64/211335164.db2.gz YJWKVLNLNNSDBP-CQSZACIVSA-N 1 0 342.443 2.255 50 0 EEAARO COCCN(C)C[C@@H]1C[N@H+](Cc2cccc3ccccc32)C[C@@H]1CO ZINC000091391428 218001036 /nfs/dbraw/zinc/00/10/36/218001036.db2.gz WREVEPDWHFHVJC-WOJBJXKFSA-N 1 0 342.483 2.458 50 0 EEAARO COc1ccccc1/C=C/C[N@@H+]1CC[C@@]2(C1)CCCN(CCO)C2=O ZINC000091536506 218019585 /nfs/dbraw/zinc/01/95/85/218019585.db2.gz KWPAIMNBMFCPON-WWPOYFSUSA-N 1 0 344.455 2.015 50 0 EEAARO Cc1noc(C)c1C[N@@H+]1C[C@@H]2CC[C@H](C1)N(Cc1nccn1C)C2 ZINC000091586726 218025749 /nfs/dbraw/zinc/02/57/49/218025749.db2.gz VJZNMRNDOBNVNA-JKSUJKDBSA-N 1 0 329.448 2.121 50 0 EEAARO Cc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cc(C)n1 ZINC000091587303 218027227 /nfs/dbraw/zinc/02/72/27/218027227.db2.gz LNLQKPSWZNTQIH-RTBURBONSA-N 1 0 345.487 2.255 50 0 EEAARO CCc1cc(C(=O)N2CCC([C@H](C)[NH+]3CCN(C)CC3)CC2)ccn1 ZINC000091595588 218029522 /nfs/dbraw/zinc/02/95/22/218029522.db2.gz GGTXVUDHZGIFOY-INIZCTEOSA-N 1 0 344.503 2.132 50 0 EEAARO C[NH+](C)[C@@H]1CCN(C(=O)c2coc(COc3ccc(F)cc3)n2)C1 ZINC000011768271 211246509 /nfs/dbraw/zinc/24/65/09/211246509.db2.gz WJCBVMPAWWRGNQ-CYBMUJFWSA-N 1 0 333.363 2.169 50 0 EEAARO CC(=O)c1ccc(N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)nc1 ZINC000091893201 218084950 /nfs/dbraw/zinc/08/49/50/218084950.db2.gz OCKTZPMBUWUTDF-QZTJIDSGSA-N 1 0 331.460 2.205 50 0 EEAARO Cc1ccccc1N1CCN(C(=O)[C@@H]([NH3+])C2CCCCC2)CC1=O ZINC000092078693 218117186 /nfs/dbraw/zinc/11/71/86/218117186.db2.gz KJHJDZPQXRLOMM-SFHVURJKSA-N 1 0 329.444 2.078 50 0 EEAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCC2)cc1Cl ZINC000010450152 211174171 /nfs/dbraw/zinc/17/41/71/211174171.db2.gz VYMHNORDULKZIR-UHFFFAOYSA-N 1 0 332.853 2.113 50 0 EEAARO CCOC(=O)c1ccc(-n2nnnc2[C@H](NC)c2ccccc2)cc1 ZINC000009434571 211082288 /nfs/dbraw/zinc/08/22/88/211082288.db2.gz PGMPNZJAURTERQ-MRXNPFEDSA-N 1 0 337.383 2.148 50 0 EEAARO COc1cccc2c1OC[C@H](Cc1cc(N3CCCC3)nc(N)[nH+]1)C2 ZINC000095352346 218285456 /nfs/dbraw/zinc/28/54/56/218285456.db2.gz CHMCVBIVHWGBOM-ZDUSSCGKSA-N 1 0 340.427 2.461 50 0 EEAARO CN(C)[C@H](C(=O)N1CCC2(CC[N@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000095356040 218289125 /nfs/dbraw/zinc/28/91/25/218289125.db2.gz RMTAXWQOCNLNFA-KRWDZBQOSA-N 1 0 333.451 2.373 50 0 EEAARO Cc1cccc(N2CC[NH+](CCC(=O)NCCn3cccc3)CC2)c1 ZINC000095358269 218292138 /nfs/dbraw/zinc/29/21/38/218292138.db2.gz XEEOYDKVELTDBZ-UHFFFAOYSA-N 1 0 340.471 2.125 50 0 EEAARO O=C(c1ccncc1F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000095362043 218295705 /nfs/dbraw/zinc/29/57/05/218295705.db2.gz FRFQFMQXSWXMMR-GOEBONIOSA-N 1 0 340.402 2.352 50 0 EEAARO Nc1nccc(N2C[C@@H](c3ccc(F)cc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)n1 ZINC000095375906 218308693 /nfs/dbraw/zinc/30/86/93/218308693.db2.gz QDRXKBSVEFBGHJ-CGTJXYLNSA-N 1 0 339.418 2.265 50 0 EEAARO CCc1c(C)[nH+]c(N)nc1NC[C@@H](c1ccc(C)o1)N1CCOCC1 ZINC000095373951 218306417 /nfs/dbraw/zinc/30/64/17/218306417.db2.gz AKAYEODMVGGBSF-HNNXBMFYSA-N 1 0 345.447 2.316 50 0 EEAARO CCn1cnnc1CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095384126 218316108 /nfs/dbraw/zinc/31/61/08/218316108.db2.gz CFJCOUKLXAUDJG-UHFFFAOYSA-N 1 0 341.459 2.256 50 0 EEAARO Cc1nc2c3ccccc3nn2c(C)c1CC(=O)NCCC[NH+](C)C ZINC000095477517 218409744 /nfs/dbraw/zinc/40/97/44/218409744.db2.gz PODVBAVQIPKWSV-UHFFFAOYSA-N 1 0 339.443 2.110 50 0 EEAARO CC[C@H](NC(=O)CC1CC[NH+](CC)CC1)c1cn2cccnc2n1 ZINC000095527736 218431717 /nfs/dbraw/zinc/43/17/17/218431717.db2.gz CYTFBQBPNRXHPU-HNNXBMFYSA-N 1 0 329.448 2.419 50 0 EEAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC)c2OC)C1 ZINC000004834055 210291799 /nfs/dbraw/zinc/29/17/99/210291799.db2.gz OCDPWDHSFUSKAW-CQSZACIVSA-N 1 0 337.416 2.488 50 0 EEAARO [NH3+]CCCOc1ccc(F)cc1C(=O)N1CCC2(CCCO2)CC1 ZINC000299782407 258090786 /nfs/dbraw/zinc/09/07/86/258090786.db2.gz VPGNVHYVCAMOHD-UHFFFAOYSA-N 1 0 336.407 2.339 50 0 EEAARO Cc1nonc1CN(C)Cc1ccc(OC[C@@H]2CCC[NH2+]C2)cc1 ZINC000299784287 258091773 /nfs/dbraw/zinc/09/17/73/258091773.db2.gz OTXWCUPHULMRJL-MRXNPFEDSA-N 1 0 330.432 2.388 50 0 EEAARO CSc1ccc(C(=O)NCC[C@H]2CCC(=O)N2CC[NH+](C)C)cc1 ZINC000299788572 258094738 /nfs/dbraw/zinc/09/47/38/258094738.db2.gz UMCUBBOMSDANNJ-OAHLLOKOSA-N 1 0 349.500 2.081 50 0 EEAARO CC[C@H]1C(=O)NCCN1Cc1ccc2c(c1)C[N@@H+](CC(C)C)CCO2 ZINC000299792133 258097232 /nfs/dbraw/zinc/09/72/32/258097232.db2.gz DIXMEJQVTVOBSB-SFHVURJKSA-N 1 0 345.487 2.247 50 0 EEAARO COCCN1C[C@H](C[NH+]2CCC(c3cccc(O)c3)CC2)CC1=O ZINC000299799224 258103082 /nfs/dbraw/zinc/10/30/82/258103082.db2.gz RMGUYAJEHCIKBL-HNNXBMFYSA-N 1 0 332.444 2.067 50 0 EEAARO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000122092816 222012796 /nfs/dbraw/zinc/01/27/96/222012796.db2.gz VMOJPIRIJFQPIO-WMLDXEAASA-N 1 0 329.444 2.151 50 0 EEAARO COc1coc(C[N@@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)cc1=O ZINC000072145204 278078353 /nfs/dbraw/zinc/07/83/53/278078353.db2.gz NJDRMUOGPDPNKZ-IBGZPJMESA-N 1 0 340.379 2.134 50 0 EEAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@@H]1CCc1ccccn1 ZINC000252488418 464965099 /nfs/dbraw/zinc/96/50/99/464965099.db2.gz IRMPVMCBATZYOH-QGZVFWFLSA-N 1 0 339.505 2.150 50 0 EEAARO CN(CC(=O)N1CC[C@H](c2cccc(Cl)c2)C1)C1CC[NH2+]CC1 ZINC000534653050 468270475 /nfs/dbraw/zinc/27/04/75/468270475.db2.gz VHHZUJPCWXOPGC-HNNXBMFYSA-N 1 0 335.879 2.340 50 0 EEAARO Cc1ncn(-c2cc(NCCNC(=O)c3ccco3)[nH+]c(C)n2)c1C ZINC000085534087 462552887 /nfs/dbraw/zinc/55/28/87/462552887.db2.gz LHMUNJICVNQYJK-UHFFFAOYSA-N 1 0 340.387 2.022 50 0 EEAARO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1cccc(OC)c1 ZINC000000316290 462554523 /nfs/dbraw/zinc/55/45/23/462554523.db2.gz KQSQUPCNVQEVLN-HNNXBMFYSA-N 1 0 341.431 2.477 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)N1CCN(c2ccccc2OC)CC1 ZINC000074497176 462606738 /nfs/dbraw/zinc/60/67/38/462606738.db2.gz NZIDLRCUAURHIH-INIZCTEOSA-N 1 0 346.475 2.011 50 0 EEAARO CCOC(=O)C1CC[NH+](C[C@H](O)c2c[nH]c3ccc(OC)cc32)CC1 ZINC000005164209 462647742 /nfs/dbraw/zinc/64/77/42/462647742.db2.gz UCTXOIFAYJKEHV-SFHVURJKSA-N 1 0 346.427 2.485 50 0 EEAARO CCCC[N@H+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)[C@H](C)N2 ZINC000006919994 462713015 /nfs/dbraw/zinc/71/30/15/462713015.db2.gz KNKZJAHIVYFEFY-ZDUSSCGKSA-N 1 0 332.448 2.291 50 0 EEAARO CCOc1ccc(CN2C[C@H]([NH+](C)C)C[C@H]2C(=O)OC)cc1Cl ZINC000065429332 462770343 /nfs/dbraw/zinc/77/03/43/462770343.db2.gz ZHXIFFKWIAVFGV-HIFRSBDPSA-N 1 0 340.851 2.416 50 0 EEAARO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)NC(C1CC1)C1CC1 ZINC000065457856 462773443 /nfs/dbraw/zinc/77/34/43/462773443.db2.gz SKQXAJRFLLZPFQ-CQSZACIVSA-N 1 0 328.460 2.120 50 0 EEAARO C[C@H]([NH2+]Cc1ccccc1Cn1cccn1)C(=O)NC1CCCC1 ZINC000065528419 462789417 /nfs/dbraw/zinc/78/94/17/462789417.db2.gz DDGHEGLNFGMJBR-HNNXBMFYSA-N 1 0 326.444 2.468 50 0 EEAARO O=C1NC2CN(Cc3ccccc3)CC1C[N@H+](Cc1ccccc1)C2 ZINC000019909886 463022384 /nfs/dbraw/zinc/02/23/84/463022384.db2.gz FXVSFOADPOHIPJ-UHFFFAOYSA-N 1 0 335.451 2.119 50 0 EEAARO OCC[NH+]1CCN(c2nc(-c3ccsc3)nc3ccccc32)CC1 ZINC000022239243 463047353 /nfs/dbraw/zinc/04/73/53/463047353.db2.gz CRCMEHWXRWHZDZ-UHFFFAOYSA-N 1 0 340.452 2.473 50 0 EEAARO Cc1nc(C(=O)N2CCC(c3nccn3CC[NH+](C)C)CC2)cs1 ZINC000095500383 463094719 /nfs/dbraw/zinc/09/47/19/463094719.db2.gz YJKOGGIWDNEBHP-UHFFFAOYSA-N 1 0 347.488 2.229 50 0 EEAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccoc2)C1 ZINC000095504879 463097584 /nfs/dbraw/zinc/09/75/84/463097584.db2.gz KVUYNFKLZVJJPQ-HNNXBMFYSA-N 1 0 330.432 2.448 50 0 EEAARO Cc1ccc([C@H](CCO)[NH2+]C2CCN(c3ncccn3)CC2)cc1 ZINC000095504335 463097739 /nfs/dbraw/zinc/09/77/39/463097739.db2.gz BOMHKQWKQBAWHN-SFHVURJKSA-N 1 0 326.444 2.467 50 0 EEAARO CCc1cccc(NC(=O)N2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)c1 ZINC000095504690 463098079 /nfs/dbraw/zinc/09/80/79/463098079.db2.gz DVLPGGXJGXVHLC-LJQANCHMSA-N 1 0 342.487 2.493 50 0 EEAARO CSCCC(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095517760 463100862 /nfs/dbraw/zinc/10/08/62/463100862.db2.gz XGIODULUGBICSS-HNNXBMFYSA-N 1 0 338.521 2.294 50 0 EEAARO Cc1cc(C)n2ncc(C(=O)NC[C@@H](c3ccsc3)[NH+](C)C)c2n1 ZINC000025332396 463119935 /nfs/dbraw/zinc/11/99/35/463119935.db2.gz SBAHCZUBAIELMH-HNNXBMFYSA-N 1 0 343.456 2.440 50 0 EEAARO O=c1ccc(-c2ccccc2OC[C@H](O)C[NH+]2CCCCC2)c[nH]1 ZINC000096148675 463185716 /nfs/dbraw/zinc/18/57/16/463185716.db2.gz XCGIWMGDOIZHLW-MRXNPFEDSA-N 1 0 328.412 2.268 50 0 EEAARO Cc1cc(NC(=O)CN2CCC[N@H+](Cc3cccs3)CC2)no1 ZINC000030210625 463289248 /nfs/dbraw/zinc/28/92/48/463289248.db2.gz DBIQNFNBPXHEFW-UHFFFAOYSA-N 1 0 334.445 2.191 50 0 EEAARO CNC(=O)c1ccc(/C=C\C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000103500393 463403768 /nfs/dbraw/zinc/40/37/68/463403768.db2.gz XNSDIUVSPZSZNC-MEODZPNASA-N 1 0 329.444 2.050 50 0 EEAARO CC[N@@H+]1CC[C@@H](CNC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000106567615 463525353 /nfs/dbraw/zinc/52/53/53/463525353.db2.gz IDMYCYMRBGVWQY-KGLIPLIRSA-N 1 0 344.459 2.273 50 0 EEAARO Cc1cc(C)c(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)[nH]1 ZINC000108143378 463591684 /nfs/dbraw/zinc/59/16/84/463591684.db2.gz IMVLVTQXVWYEIH-ROUUACIJSA-N 1 0 341.455 2.244 50 0 EEAARO CC[C@H](C)C(=O)N1CCC[C@@H](C(=O)NC[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000110996960 463668185 /nfs/dbraw/zinc/66/81/85/463668185.db2.gz MCBMAHDTQXZFLO-BBWFWOEESA-N 1 0 337.508 2.262 50 0 EEAARO COc1ccc(C(=O)NC[C@H]2Cc3ccccc3C[N@@H+]2C)cc1OC ZINC000219956044 464112448 /nfs/dbraw/zinc/11/24/48/464112448.db2.gz QHOVZLRYOBTNBS-QGZVFWFLSA-N 1 0 340.423 2.490 50 0 EEAARO COc1cccc2c1OCC(C[N@@H+]1CC[C@]3(OC)CC[C@@H](O)C[C@H]13)=C2 ZINC000299774136 465886182 /nfs/dbraw/zinc/88/61/82/465886182.db2.gz AYUQAHCSEFDPJT-IMFGXOCKSA-N 1 0 345.439 2.475 50 0 EEAARO Cc1cc(CNC(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)ccc1F ZINC000340916030 466432647 /nfs/dbraw/zinc/43/26/47/466432647.db2.gz HAWZRNQTRPAQFS-INIZCTEOSA-N 1 0 337.439 2.386 50 0 EEAARO C[C@@H](Cn1cnc2ccccc2c1=O)[NH2+]CCCn1cc(Cl)cn1 ZINC000584900045 468959483 /nfs/dbraw/zinc/95/94/83/468959483.db2.gz RCAXKUCYICSWSO-ZDUSSCGKSA-N 1 0 345.834 2.315 50 0 EEAARO CN(Cc1noc(C2CC2)n1)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000584900977 468959832 /nfs/dbraw/zinc/95/98/32/468959832.db2.gz PBRUUBNKLFHVRB-UHFFFAOYSA-N 1 0 330.388 2.408 50 0 EEAARO CCOc1ccccc1CCNc1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219640250 485531977 /nfs/dbraw/zinc/53/19/77/485531977.db2.gz XXBUAPRIWIDMDW-UHFFFAOYSA-N 1 0 327.432 2.317 50 0 EEAARO COCCCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000534633630 485549151 /nfs/dbraw/zinc/54/91/51/485549151.db2.gz IACPPBJXTRJFBT-KRWDZBQOSA-N 1 0 337.439 2.468 50 0 EEAARO COc1ccc(C(=O)NC2(c3ccccc3)CC2)c(OCC[NH3+])c1 ZINC000426563573 536737449 /nfs/dbraw/zinc/73/74/49/536737449.db2.gz YRFZRSWYSKEYPX-UHFFFAOYSA-N 1 0 326.396 2.452 50 0 EEAARO Cc1cc2c(cc1C[NH+]1CCC3(CC1)OCCC[C@@H]3O)OCCO2 ZINC000095389182 1215363039 /nfs/dbraw/zinc/36/30/39/1215363039.db2.gz HLLPZQYBFWTKRS-SFHVURJKSA-N 1 0 333.428 2.272 50 0 EEAARO O=C(CCC1CC[NH+](C[C@H]2CCOC2)CC1)NCc1cccnc1 ZINC000015069085 1226502720 /nfs/dbraw/zinc/50/27/20/1226502720.db2.gz KBIFUQMVJNNLMR-GOSISDBHSA-N 1 0 331.460 2.227 50 0 EEAARO O=C(C1CCOCC1)N1CCC[N@H+](CCCOc2ccccc2)CC1 ZINC001194628779 1283205848 /nfs/dbraw/zinc/20/58/48/1283205848.db2.gz ADEYSQNAGZRSMM-UHFFFAOYSA-N 1 0 346.471 2.416 50 0 EEAARO Cc1ccc(CN2C[C@@H]3CN(C(=O)C4CCC4)C[C@]3(C[NH+](C)C)C2)o1 ZINC001772814744 1410370951 /nfs/dbraw/zinc/37/09/51/1410370951.db2.gz QUFCMNGIWHIECX-XLIONFOSSA-N 1 0 345.487 2.210 50 0 EEAARO COc1ccccc1OC1CC[NH+](C[C@H]2CCC(=O)N(C)C2)CC1 ZINC001772814582 1410371125 /nfs/dbraw/zinc/37/11/25/1410371125.db2.gz IQCAAFRYWGGPPW-HNNXBMFYSA-N 1 0 332.444 2.407 50 0 EEAARO O=C(NCc1noc(-c2ccco2)n1)C1([NH+]2CCCC2)CCCC1 ZINC000952870379 796048665 /nfs/dbraw/zinc/04/86/65/796048665.db2.gz YOFNFKPTFGWFSM-UHFFFAOYSA-N 1 0 330.388 2.354 50 0 EEAARO CCn1c(C)cc2cc(NC(=O)[C@H]3CCC[N@H+](CC(N)=O)C3)ccc21 ZINC000952978425 796124946 /nfs/dbraw/zinc/12/49/46/796124946.db2.gz QICKBAYJGUDFMT-AWEZNQCLSA-N 1 0 342.443 2.105 50 0 EEAARO Cc1cccc(-n2nc(CC(N)=O)nc2[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000826842372 800424446 /nfs/dbraw/zinc/42/44/46/800424446.db2.gz QUDNEQDRAOONTA-HNNXBMFYSA-N 1 0 341.459 2.193 50 0 EEAARO CN(C)c1ncc(/C=C/C(=O)N2CCCC[C@@H]2C[NH+]2CCCC2)cn1 ZINC000827939665 800547835 /nfs/dbraw/zinc/54/78/35/800547835.db2.gz RUGXWSIYPYGKFI-KBOKABMXSA-N 1 0 343.475 2.033 50 0 EEAARO Cc1cc(NC[C@@H](O)C[NH+]2CCCCCC2)nc(-c2cccnc2)n1 ZINC000065424664 803062982 /nfs/dbraw/zinc/06/29/82/803062982.db2.gz ZVVCKEHFBGIWSL-QGZVFWFLSA-N 1 0 341.459 2.496 50 0 EEAARO Cc1nn(C)c(C)c1C[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C(C)C ZINC001506401461 1114596587 /nfs/dbraw/zinc/59/65/87/1114596587.db2.gz DXORFKQBMQOANX-OAHLLOKOSA-N 1 0 327.494 2.072 50 0 EEAARO COC[C@H]([NH2+]C1CCN(C(=O)c2cccnc2)CC1)c1ccccn1 ZINC001506425959 1114603482 /nfs/dbraw/zinc/60/34/82/1114603482.db2.gz HTVUTLWHQRGXDN-SFHVURJKSA-N 1 0 340.427 2.059 50 0 EEAARO COCCc1noc([C@@H](C)NC2CC[NH+](Cc3ccco3)CC2)n1 ZINC001529168432 1121350429 /nfs/dbraw/zinc/35/04/29/1121350429.db2.gz DCNXOYWVTGFMPE-CYBMUJFWSA-N 1 0 334.420 2.167 50 0 EEAARO C[NH+](C)CCc1nnc(NC(=O)c2ccc(C(F)(F)F)nc2)s1 ZINC001529181412 1121356536 /nfs/dbraw/zinc/35/65/36/1121356536.db2.gz OCMVBTGVRJRNNM-UHFFFAOYSA-N 1 0 345.350 2.308 50 0 EEAARO Cc1cccc(CC[N@@H+]2CCCN(C(=O)c3cncc(F)c3)CC2)n1 ZINC001529196801 1121365027 /nfs/dbraw/zinc/36/50/27/1121365027.db2.gz HQRPFOYDVFSKLT-UHFFFAOYSA-N 1 0 342.418 2.315 50 0 EEAARO C[N@@H+]1CCC[C@H]1CCNC(=O)CC(=O)Nc1ccc(F)c(Cl)c1 ZINC000055387248 214316044 /nfs/dbraw/zinc/31/60/44/214316044.db2.gz BSLNPNNZKUGWJA-LBPRGKRZSA-N 1 0 341.814 2.408 50 0 EEAARO CCC[NH+](CCC)CCCNC(=O)CNC(=O)c1cccs1 ZINC000004686603 210247794 /nfs/dbraw/zinc/24/77/94/210247794.db2.gz HPUIRVQOQDRISQ-UHFFFAOYSA-N 1 0 325.478 2.106 50 0 EEAARO Cn1c(CO)nnc1[C@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000097823441 219058828 /nfs/dbraw/zinc/05/88/28/219058828.db2.gz CPLIOGQSLKFZAP-AWEZNQCLSA-N 1 0 326.400 2.433 50 0 EEAARO Cc1c(O)ccc2c(C)c(CCC(=O)NCCC[NH+](C)C)c(=O)oc12 ZINC000004084794 210116517 /nfs/dbraw/zinc/11/65/17/210116517.db2.gz NPXBZYCEPGSWTO-UHFFFAOYSA-N 1 0 346.427 2.116 50 0 biogenic EEAARO C[C@H]([NH2+]C[C@H](O)COc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000004025042 210101168 /nfs/dbraw/zinc/10/11/68/210101168.db2.gz CZLWUFZQTCVKEE-DOXZYTNZSA-N 1 0 329.396 2.244 50 0 biogenic EEAARO CN1CCc2c3ccccc3n(C[C@H](O)C[NH2+]C3CCCC3)c2C1=O ZINC000003999701 210096670 /nfs/dbraw/zinc/09/66/70/210096670.db2.gz UCPUYOMUIKVFJV-OAHLLOKOSA-N 1 0 341.455 2.163 50 0 biogenic EEAARO CC1(C)C[C@@H](C[N@H+]2C[C@H]3[C@H](C(=O)NCc4cccnc4)[C@H]3C2)CCO1 ZINC000102379018 219198907 /nfs/dbraw/zinc/19/89/07/219198907.db2.gz HESNZXCOAANGEP-DZJNRPSUSA-N 1 0 343.471 2.081 50 0 EEAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccco2)C1)c1cccc2nccnc21 ZINC000067688833 215184218 /nfs/dbraw/zinc/18/42/18/215184218.db2.gz CUFAEMDYOYNIIU-AWEZNQCLSA-N 1 0 336.395 2.475 50 0 EEAARO CC(C)CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2ccccn2)C1=O ZINC000067712813 215190436 /nfs/dbraw/zinc/19/04/36/215190436.db2.gz VIQOVXGONIUEFI-LJQANCHMSA-N 1 0 344.459 2.308 50 0 EEAARO COc1ccc(-c2nc(CN3CCO[C@@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067722976 215194725 /nfs/dbraw/zinc/19/47/25/215194725.db2.gz IMHNLJCJAYQSAK-HNNXBMFYSA-N 1 0 345.443 2.435 50 0 EEAARO [NH3+]C[C@@H]1Cc2cc(F)cc(-c3cc(C(=O)N4CCCC4)ccn3)c2O1 ZINC000067755782 215204319 /nfs/dbraw/zinc/20/43/19/215204319.db2.gz LQDIHWSBLRYBAF-HNNXBMFYSA-N 1 0 341.386 2.386 50 0 EEAARO CCNC(=O)[C@H](C)[NH+]1CCC(n2nccc2NC(=O)CC(C)C)CC1 ZINC000067789457 215213897 /nfs/dbraw/zinc/21/38/97/215213897.db2.gz UEKUWZHIYIMIFY-AWEZNQCLSA-N 1 0 349.479 2.029 50 0 EEAARO Cc1cc(C[N@@H+]2CCC[C@@H](CNC(=O)Cn3cccn3)C2)oc1C ZINC000067804277 215216318 /nfs/dbraw/zinc/21/63/18/215216318.db2.gz MSBQRIRINOGUQI-INIZCTEOSA-N 1 0 330.432 2.121 50 0 EEAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cnc(CN3CCCC3)s2)C1 ZINC000067847863 215230434 /nfs/dbraw/zinc/23/04/34/215230434.db2.gz UIWGDNJSHWJZSF-CQSZACIVSA-N 1 0 336.505 2.201 50 0 EEAARO CN(Cc1cc(C(=O)N2CC[C@H]([NH+](C)C)C2)no1)Cc1ccccc1 ZINC000067894178 215241776 /nfs/dbraw/zinc/24/17/76/215241776.db2.gz SUIMBIZDPGOYDO-INIZCTEOSA-N 1 0 342.443 2.083 50 0 EEAARO CCCc1c(C(=O)NCC2CC[NH+](C)CC2)[nH]c(C)c1C(=O)OC ZINC000069351036 215385403 /nfs/dbraw/zinc/38/54/03/215385403.db2.gz LQSDFELWZHUVIE-UHFFFAOYSA-N 1 0 335.448 2.134 50 0 EEAARO CCn1cc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)cn1 ZINC000039406139 213236881 /nfs/dbraw/zinc/23/68/81/213236881.db2.gz ZNTOQZYDHWTTFN-HXUWFJFHSA-N 1 0 342.487 2.280 50 0 EEAARO O=C(c1ccc[nH]1)N1CCC[C@@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072174050 216064621 /nfs/dbraw/zinc/06/46/21/216064621.db2.gz CVOREBMGCVIWRV-GOSISDBHSA-N 1 0 338.455 2.442 50 0 EEAARO Cc1cn2c(n1)CC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000072279196 216106460 /nfs/dbraw/zinc/10/64/60/216106460.db2.gz ZCGYLBHHARZHRQ-QZTJIDSGSA-N 1 0 338.455 2.287 50 0 EEAARO O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000107136878 296013728 /nfs/dbraw/zinc/01/37/28/296013728.db2.gz DHCNJJOJCJRQRS-CBBWQLFWSA-N 1 0 348.409 2.413 50 0 EEAARO Cc1nc(-c2ccc(S(=O)(=O)NCC[NH+](C)C)s2)cs1 ZINC000000066520 209396832 /nfs/dbraw/zinc/39/68/32/209396832.db2.gz LVEZWMNCXRKDKA-UHFFFAOYSA-N 1 0 331.488 2.020 50 0 EEAARO c1ccc(-c2nc3c(c(NCC[C@@H]4CCOC4)n2)CC[NH2+]CC3)nc1 ZINC000072436596 216232680 /nfs/dbraw/zinc/23/26/80/216232680.db2.gz FGTYCZYNHBRTLC-CQSZACIVSA-N 1 0 339.443 2.065 50 0 EEAARO O=C1CC[C@H]2C[N@H+](Cc3ccco3)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072477614 216255685 /nfs/dbraw/zinc/25/56/85/216255685.db2.gz WRTUCIMMYVKHQM-WMLDXEAASA-N 1 0 328.416 2.058 50 0 EEAARO CO[C@H]1[C@H](NC(=O)c2cccnc2)c2ccccc2C12CC[NH2+]CC2 ZINC000072474863 216253179 /nfs/dbraw/zinc/25/31/79/216253179.db2.gz IHSODLKQMSRENB-MSOLQXFVSA-N 1 0 337.423 2.203 50 0 EEAARO CN(Cc1cnccn1)c1nc(-c2ccccc2)nc2c1CC[NH2+]CC2 ZINC000072480663 216259823 /nfs/dbraw/zinc/25/98/23/216259823.db2.gz KMINLKLJLKQCHS-UHFFFAOYSA-N 1 0 346.438 2.258 50 0 EEAARO Cc1ccc(NC(=O)C(=O)NC[C@@H](c2cccs2)[NH+](C)C)cc1 ZINC000023106537 212347679 /nfs/dbraw/zinc/34/76/79/212347679.db2.gz GODRHBYSIZMNKV-AWEZNQCLSA-N 1 0 331.441 2.414 50 0 EEAARO OCC[C@H]1CN(Cc2ccc3c(c2)OCCO3)CC[N@@H+]1C1CCCC1 ZINC000022919425 212334620 /nfs/dbraw/zinc/33/46/20/212334620.db2.gz TXEVAVAWANIXFD-SFHVURJKSA-N 1 0 346.471 2.269 50 0 EEAARO Cc1c(O)cccc1C(=O)N1CCC([N@@H+]2CCC[C@H](CO)C2)CC1 ZINC000216224422 241176064 /nfs/dbraw/zinc/17/60/64/241176064.db2.gz ZVLXULOESIHCSG-HNNXBMFYSA-N 1 0 332.444 2.010 50 0 EEAARO CCN1C[C@H](NC(=O)c2cccc(C[NH+]3CCCCCC3)c2)CC1=O ZINC000426430644 241284899 /nfs/dbraw/zinc/28/48/99/241284899.db2.gz HPEUVYDEIRTDBE-GOSISDBHSA-N 1 0 343.471 2.413 50 0 EEAARO [NH3+]CCOc1ccc(CC(=O)N[C@H]2COC3(C2)CCCCC3)cc1 ZINC000426438651 241286484 /nfs/dbraw/zinc/28/64/84/241286484.db2.gz LPSYWVRKYBZYKZ-MRXNPFEDSA-N 1 0 332.444 2.175 50 0 EEAARO Cc1cc2nc(CNC(=O)N3CCC[C@]4(CC[NH2+]C4)C3)[nH]c2cc1C ZINC000426527773 241304638 /nfs/dbraw/zinc/30/46/38/241304638.db2.gz MELMPGLENCPHGG-LJQANCHMSA-N 1 0 341.459 2.465 50 0 EEAARO Cc1c(F)c(F)c(CSc2nnc(CC[NH3+])n2C)c(F)c1F ZINC000426613511 241315143 /nfs/dbraw/zinc/31/51/43/241315143.db2.gz BEUUELJJWMOYQP-UHFFFAOYSA-N 1 0 334.342 2.473 50 0 EEAARO Cc1cccc(OCCCN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)c1 ZINC000219183543 241370908 /nfs/dbraw/zinc/37/09/08/241370908.db2.gz ZFOVLVTZLAEAKH-UHFFFAOYSA-N 1 0 341.459 2.477 50 0 EEAARO OCCCc1cn(C2CC[NH+](C3Cc4ccccc4C3)CC2)nn1 ZINC000020515126 212142609 /nfs/dbraw/zinc/14/26/09/212142609.db2.gz BKGVLBFNYULDJA-UHFFFAOYSA-N 1 0 326.444 2.007 50 0 EEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccncc2)n[nH]1 ZINC000252527864 243848151 /nfs/dbraw/zinc/84/81/51/243848151.db2.gz DNPQNUMJUOOOPC-YJBOKZPZSA-N 1 0 339.443 2.466 50 0 EEAARO COC(=O)c1cccnc1N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000077321779 216871929 /nfs/dbraw/zinc/87/19/29/216871929.db2.gz INXRRDWNDKPAQB-UHFFFAOYSA-N 1 0 326.400 2.288 50 0 EEAARO Cc1ccc(C(=O)N2CCC[C@H](Cn3cc(C(C)(C)[NH3+])nn3)C2)s1 ZINC000019782479 212066643 /nfs/dbraw/zinc/06/66/43/212066643.db2.gz JLDJBNDTPIMZMY-ZDUSSCGKSA-N 1 0 347.488 2.394 50 0 EEAARO COc1ccc(C)cc1S(=O)(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000012441444 211382849 /nfs/dbraw/zinc/38/28/49/211382849.db2.gz CXPZITBWGNVEEX-UHFFFAOYSA-N 1 0 340.489 2.402 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000012409791 211371337 /nfs/dbraw/zinc/37/13/37/211371337.db2.gz HLPMFRSGRRAHOU-CQSZACIVSA-N 1 0 339.399 2.432 50 0 EEAARO O=C(c1coc(COc2ccccc2)n1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000012093304 211289282 /nfs/dbraw/zinc/28/92/82/211289282.db2.gz SRPASTTWISHUCI-AWEZNQCLSA-N 1 0 327.384 2.174 50 0 EEAARO C[N@H+](Cc1cccnc1)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000011821080 211252474 /nfs/dbraw/zinc/25/24/74/211252474.db2.gz JYUASJHANBVHNI-FQEVSTJZSA-N 1 0 345.487 2.447 50 0 EEAARO CC(C)C[NH2+]C[C@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000011767904 211246886 /nfs/dbraw/zinc/24/68/86/211246886.db2.gz NNRHAVDKIJXNBQ-QGZVFWFLSA-N 1 0 326.387 2.064 50 0 EEAARO C[NH+](C)[C@H]1CCN(c2nccc(C(F)(F)F)n2)C[C@H]1CCCO ZINC000091755663 218060855 /nfs/dbraw/zinc/06/08/55/218060855.db2.gz PKFWQMCSJLTNQU-NEPJUHHUSA-N 1 0 332.370 2.024 50 0 EEAARO CC(C)Cc1ccc(C[N@@H+]2C[C@H](CO)[C@H](CN3CCOCC3)C2)cc1 ZINC000091794174 218067813 /nfs/dbraw/zinc/06/78/13/218067813.db2.gz JXYHESCAOAQWTD-NHCUHLMSSA-N 1 0 346.515 2.258 50 0 EEAARO O=C1NCCC[C@]12CC[N@H+](Cc1cnc(-c3cccs3)nc1)C2 ZINC000091876521 218082065 /nfs/dbraw/zinc/08/20/65/218082065.db2.gz UEWHNEOBOCDSBI-QGZVFWFLSA-N 1 0 328.441 2.307 50 0 EEAARO C[C@H]1C[C@H](C)C[NH+](CCCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000010544053 211180205 /nfs/dbraw/zinc/18/02/05/211180205.db2.gz MKLATIJTIUCBJV-KBPBESRZSA-N 1 0 328.453 2.472 50 0 EEAARO Nc1cc(N)[nH+]c(SCC(=O)N2CCC[C@@H]2c2cccs2)n1 ZINC000009417724 211081124 /nfs/dbraw/zinc/08/11/24/211081124.db2.gz GTLKLWRURMFKTB-SECBINFHSA-N 1 0 335.458 2.158 50 0 EEAARO Cc1nc(CC2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)no1 ZINC000095379223 218311155 /nfs/dbraw/zinc/31/11/55/218311155.db2.gz MQTUIMUFKPILJZ-MRXNPFEDSA-N 1 0 334.464 2.424 50 0 EEAARO COc1ccc(Cl)cc1C[NH2+]CCCSc1nnnn1C ZINC000004993840 210352250 /nfs/dbraw/zinc/35/22/50/210352250.db2.gz YQQHFXAHMVWOJH-UHFFFAOYSA-N 1 0 327.841 2.144 50 0 EEAARO C[NH+]1CCN(c2cc(-c3ccc(F)c4cccnc43)nc(N)n2)CC1 ZINC000097243732 219004175 /nfs/dbraw/zinc/00/41/75/219004175.db2.gz FCBICDZYIYJKCW-UHFFFAOYSA-N 1 0 338.390 2.165 50 0 EEAARO O=C(C[C@H]1COCC[NH2+]1)N(CCc1ccccc1)Cc1ccccn1 ZINC000097604065 219040348 /nfs/dbraw/zinc/04/03/48/219040348.db2.gz XAPXTSLJDWPZFE-IBGZPJMESA-N 1 0 339.439 2.031 50 0 EEAARO CO[C@]12CC[N@H+](Cc3ccc(N4CCCC4=O)cc3)[C@H]1C[C@H](O)CC2 ZINC000299793747 258098661 /nfs/dbraw/zinc/09/86/61/258098661.db2.gz HIFAOKVQIRTCAD-WSTZPKSXSA-N 1 0 344.455 2.318 50 0 EEAARO O=C(CN1CCOCC1)NC[C@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299795883 258100642 /nfs/dbraw/zinc/10/06/42/258100642.db2.gz LFYLASZVLKXKAM-LJQANCHMSA-N 1 0 345.487 2.052 50 0 EEAARO CCc1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](C1)OCc1cnnn12 ZINC000299802575 258105450 /nfs/dbraw/zinc/10/54/50/258105450.db2.gz ZJQZEJCDGORBEG-WMZOPIPTSA-N 1 0 328.416 2.065 50 0 EEAARO Cc1ccc(F)c(C(=O)N2CCOC[C@H](C[NH+](C)C)C2)c1Cl ZINC000299761188 258077696 /nfs/dbraw/zinc/07/76/96/258077696.db2.gz WDCCORGSZPJUEA-GFCCVEGCSA-N 1 0 328.815 2.438 50 0 EEAARO [NH3+][C@@H]1CCCC[C@H]1NC(=O)c1nn(-c2ccccc2F)c2c1CCC2 ZINC000128139351 292337118 /nfs/dbraw/zinc/33/71/18/292337118.db2.gz NRNLKVRBFZIISJ-HUUCEWRRSA-N 1 0 342.418 2.500 50 0 EEAARO CCc1ccccc1NC(=O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000122296160 222054340 /nfs/dbraw/zinc/05/43/40/222054340.db2.gz JLHVUGCZMZPWAY-DOTOQJQBSA-N 1 0 329.444 2.130 50 0 EEAARO CC[NH+](CC)CCNC(=O)NC1(C(F)(F)F)Oc2ccccc2O1 ZINC000002638259 279106268 /nfs/dbraw/zinc/10/62/68/279106268.db2.gz CNYDGOMSVVRCGF-UHFFFAOYSA-N 1 0 347.337 2.315 50 0 EEAARO Cc1ccc(N2CCCC2=O)cc1NC(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000095518398 280864801 /nfs/dbraw/zinc/86/48/01/280864801.db2.gz BMKNZYSLLJJTCH-QGZVFWFLSA-N 1 0 342.443 2.338 50 0 EEAARO O=C(N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1)C1(c2ccc(Cl)cc2)CC1 ZINC000240517153 295585720 /nfs/dbraw/zinc/58/57/20/295585720.db2.gz NVQBVHCRTCOKFX-IRXDYDNUSA-N 1 0 348.874 2.429 50 0 EEAARO COc1cc(NCc2cc3n(n2)CC[N@@H+](C2CCCCC2)C3)ncn1 ZINC000085479398 462551527 /nfs/dbraw/zinc/55/15/27/462551527.db2.gz ZARFHFCITZCJPO-UHFFFAOYSA-N 1 0 342.447 2.442 50 0 EEAARO OCC[C@H]1CCCC[N@@H+]1C[C@@H](O)COCc1ccc(Cl)cc1 ZINC000006935050 462713194 /nfs/dbraw/zinc/71/31/94/462713194.db2.gz QCVROBCHMWQFFE-IAGOWNOFSA-N 1 0 327.852 2.454 50 0 EEAARO CCc1cc(NCC2CCN(C(=O)C(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000065371028 462758806 /nfs/dbraw/zinc/75/88/06/462758806.db2.gz TUQFBUKZNWDXLU-UHFFFAOYSA-N 1 0 333.480 2.412 50 0 EEAARO COc1ccc2c(C)c(CC(=O)NCCC[NH+](C)C)c(=O)oc2c1C ZINC000008490977 462785680 /nfs/dbraw/zinc/78/56/80/462785680.db2.gz BBHPDVISXFROCD-UHFFFAOYSA-N 1 0 346.427 2.029 50 0 biogenic EEAARO O=C(C[N@@H+]1CC[C@H](CNc2ccccn2)C1)NCCc1ccsc1 ZINC000065523301 462788563 /nfs/dbraw/zinc/78/85/63/462788563.db2.gz XATHBNRTEQKQND-MRXNPFEDSA-N 1 0 344.484 2.236 50 0 EEAARO CN(CC[N@H+](C)C1CCCC1)C(=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000011878954 462841182 /nfs/dbraw/zinc/84/11/82/462841182.db2.gz ZFOZNZDQMZSWKY-GOSISDBHSA-N 1 0 343.471 2.372 50 0 EEAARO CC[N@@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)CCO)CC2)C1 ZINC000091365052 462874911 /nfs/dbraw/zinc/87/49/11/462874911.db2.gz KNJNKWAFZOYINV-GOSISDBHSA-N 1 0 330.472 2.487 50 0 EEAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000014075978 462908770 /nfs/dbraw/zinc/90/87/70/462908770.db2.gz VJUGBAZIJFHUNJ-TXEJJXNPSA-N 1 0 333.388 2.041 50 0 EEAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](CC2CC2)CC1 ZINC000091830937 462909523 /nfs/dbraw/zinc/90/95/23/462909523.db2.gz XJZFUFNBYAJRKN-UHFFFAOYSA-N 1 0 328.464 2.441 50 0 EEAARO Cc1cc(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)nn1C ZINC000014972962 462937164 /nfs/dbraw/zinc/93/71/64/462937164.db2.gz TVEAVWLNULLTMR-KRWDZBQOSA-N 1 0 326.444 2.165 50 0 EEAARO CC(C)CN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1=O ZINC000077301435 462965214 /nfs/dbraw/zinc/96/52/14/462965214.db2.gz URLIEIXKWBSWDL-KRWDZBQOSA-N 1 0 347.503 2.316 50 0 EEAARO COc1ccc2n[nH]c(C[N@@H+]3CCCC[C@@H]3CN3CCOCC3)c2c1 ZINC000077322769 462968784 /nfs/dbraw/zinc/96/87/84/462968784.db2.gz WZEGPTOSZTUBTG-OAHLLOKOSA-N 1 0 344.459 2.258 50 0 EEAARO CC[C@@H]1CN(C(=O)c2ccc(N(C)CCO)cc2)CC[N@@H+]1C(C)C ZINC000077470269 462990438 /nfs/dbraw/zinc/99/04/38/462990438.db2.gz XDRIPTIJAVTNDZ-QGZVFWFLSA-N 1 0 333.476 2.060 50 0 EEAARO Cc1cccc(NC(=O)NCc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000022473502 463050600 /nfs/dbraw/zinc/05/06/00/463050600.db2.gz WCSJHDMDDGVEJL-UHFFFAOYSA-N 1 0 339.443 2.464 50 0 EEAARO CC(C)[C@@H]1C[N@H+](Cc2ccnc3ccccc23)C[C@H]1NS(C)(=O)=O ZINC000095509558 463098652 /nfs/dbraw/zinc/09/86/52/463098652.db2.gz IJZQLFMGDMQJJC-FUHWJXTLSA-N 1 0 347.484 2.240 50 0 EEAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000026468328 463164261 /nfs/dbraw/zinc/16/42/61/463164261.db2.gz PWLJTKUHWXALTM-RDJZCZTQSA-N 1 0 332.444 2.275 50 0 EEAARO Cc1cnc2c(cccc2S(=O)(=O)NC2CC[NH+](C3CC3)CC2)c1 ZINC000029378128 463255033 /nfs/dbraw/zinc/25/50/33/463255033.db2.gz LFGGTJBQRFNCPU-UHFFFAOYSA-N 1 0 345.468 2.448 50 0 EEAARO CC(C)(C)c1noc(CCC(=O)N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000031219339 463329264 /nfs/dbraw/zinc/32/92/64/463329264.db2.gz KJDPWMOPYFAXAD-UHFFFAOYSA-N 1 0 343.431 2.044 50 0 EEAARO Cc1cc(NC(=O)CN2CC[C@H](CNc3cccc(C)[nH+]3)C2)on1 ZINC000097200906 463345559 /nfs/dbraw/zinc/34/55/59/463345559.db2.gz AHENAXYAONYUJL-CQSZACIVSA-N 1 0 329.404 2.059 50 0 EEAARO Cc1ccc2nc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)cc(=O)n2c1 ZINC000097200482 463345987 /nfs/dbraw/zinc/34/59/87/463345987.db2.gz HGYUWMJPKQKENO-INIZCTEOSA-N 1 0 349.438 2.332 50 0 EEAARO O=C(NC[C@@H]1COCCO1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000056600910 463411915 /nfs/dbraw/zinc/41/19/15/463411915.db2.gz PIGSXKRYLFLIDA-QGZVFWFLSA-N 1 0 333.432 2.209 50 0 EEAARO CCC[NH+]1CCN(C(=O)[C@H](C)N2c3ccccc3CCCC2=O)CC1 ZINC000033249621 463419572 /nfs/dbraw/zinc/41/95/72/463419572.db2.gz JMOXZMVATFAWRX-INIZCTEOSA-N 1 0 343.471 2.299 50 0 EEAARO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000150750920 463420625 /nfs/dbraw/zinc/42/06/25/463420625.db2.gz VDGWGGBCICOZAE-HNNXBMFYSA-N 1 0 333.480 2.277 50 0 EEAARO O=C(NCCCc1ccccn1)c1ccc(N[C@H]2CCC[NH2+]C2)nc1 ZINC000071764440 463423115 /nfs/dbraw/zinc/42/31/15/463423115.db2.gz OTBCIBYQXKYFJK-KRWDZBQOSA-N 1 0 339.443 2.003 50 0 EEAARO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C1)C2O ZINC000071795177 463425671 /nfs/dbraw/zinc/42/56/71/463425671.db2.gz GMERESWKDRCPSN-SJPCQFCGSA-N 1 0 332.444 2.346 50 0 EEAARO CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)C1(C)C ZINC000124823266 463468388 /nfs/dbraw/zinc/46/83/88/463468388.db2.gz VGGHPUZBKMGMHJ-JKSUJKDBSA-N 1 0 344.459 2.023 50 0 EEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(Br)cc1 ZINC000106166515 463507629 /nfs/dbraw/zinc/50/76/29/463507629.db2.gz CGPWLVQZLYVBTC-KBPBESRZSA-N 1 0 339.233 2.042 50 0 EEAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)c1ccc2[nH]c3c(c2c1)CCCC3 ZINC000082107239 463514125 /nfs/dbraw/zinc/51/41/25/463514125.db2.gz XGLVOSZXYOOPQN-UHFFFAOYSA-N 1 0 349.438 2.276 50 0 EEAARO O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000106844440 463541646 /nfs/dbraw/zinc/54/16/46/463541646.db2.gz IBCTZDVKECMUAY-OKZBNKHCSA-N 1 0 345.491 2.171 50 0 EEAARO C[C@H](c1nnc(-c2ccccc2)o1)N1CC[N@@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000106868043 463543324 /nfs/dbraw/zinc/54/33/24/463543324.db2.gz KIAZCFNBOFDXGA-SOUVJXGZSA-N 1 0 330.432 2.185 50 0 EEAARO CC[C@H]1CN(Cc2nnc(-c3ccccc3)o2)CC[N@@H+]1C[C@H](C)O ZINC000106868200 463543778 /nfs/dbraw/zinc/54/37/78/463543778.db2.gz KBYBGSOVGLQZGD-HOCLYGCPSA-N 1 0 330.432 2.014 50 0 EEAARO CC(C)(CNC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccs1 ZINC000106912194 463550713 /nfs/dbraw/zinc/55/07/13/463550713.db2.gz DGXDVIFOYLRZNF-UONOGXRCSA-N 1 0 337.489 2.188 50 0 EEAARO C[NH+](C)CCN1CCC(NC(=O)NC[C@H]2CCc3ccccc32)CC1 ZINC000111813910 463682960 /nfs/dbraw/zinc/68/29/60/463682960.db2.gz XKMSTLIRMMUDMS-QGZVFWFLSA-N 1 0 344.503 2.042 50 0 EEAARO O=C(COC[C@@H]1CCCCO1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000221290122 464121145 /nfs/dbraw/zinc/12/11/45/464121145.db2.gz PRCCJYBEJMIPAB-IBGZPJMESA-N 1 0 346.471 2.484 50 0 EEAARO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)N1CCn2cncc2C1 ZINC000292531324 464264358 /nfs/dbraw/zinc/26/43/58/464264358.db2.gz SKTHNTVLZDEERG-QGZVFWFLSA-N 1 0 339.443 2.073 50 0 EEAARO Cc1nc([C@H]2C[C@@H]([NH3+])C2)cc(N2CCC(Oc3cccnc3)CC2)n1 ZINC000252527725 464980019 /nfs/dbraw/zinc/98/00/19/464980019.db2.gz DEYMRQIGFVPOOE-GASCZTMLSA-N 1 0 339.443 2.433 50 0 EEAARO O=C(c1cccnc1)N1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC000584902458 468960184 /nfs/dbraw/zinc/96/01/84/468960184.db2.gz RGBIIBFSWTXABP-SFHVURJKSA-N 1 0 337.423 2.280 50 0 EEAARO Cc1cc(F)ccc1C[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000585136766 468987613 /nfs/dbraw/zinc/98/76/13/468987613.db2.gz RPIGZYFLWSEDNU-KRWDZBQOSA-N 1 0 330.407 2.262 50 0 EEAARO CN(C[C@]1(c2ccccc2)CC1(C)C)C(=O)CC[NH+]1CCN(C)CC1 ZINC000219448967 536452385 /nfs/dbraw/zinc/45/23/85/536452385.db2.gz CMQXLRXLDREKOD-NRFANRHFSA-N 1 0 343.515 2.450 50 0 EEAARO CC(C)[NH+]1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccccn3)C2)CC1 ZINC000023338530 681324984 /nfs/dbraw/zinc/32/49/84/681324984.db2.gz ISSJWVPUTJRYEP-KRWDZBQOSA-N 1 0 344.503 2.283 50 0 EEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)Nc1cccc2cnccc21 ZINC000299775982 689759066 /nfs/dbraw/zinc/75/90/66/689759066.db2.gz MILHKIFCTMKZJF-OAHLLOKOSA-N 1 0 328.416 2.203 50 0 EEAARO CC(C)Oc1cc(O)cc(C(=O)N[C@H]2CCCOC23CC[NH2+]CC3)c1 ZINC001772702498 1179285433 /nfs/dbraw/zinc/28/54/33/1179285433.db2.gz HASYJUBMADTNCH-KRWDZBQOSA-N 1 0 348.443 2.210 50 0 EEAARO CC1(C)COc2c1cc(Cl)cc2CN1C[C@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772703108 1179287226 /nfs/dbraw/zinc/28/72/26/1179287226.db2.gz GWNIVIMYXDMPDN-ACJLOTCBSA-N 1 0 336.863 2.024 50 0 EEAARO Cc1ccc(C[N@@H+]2C[C@@H]3COC[C@H](C2)N(Cc2ccncc2)C3)o1 ZINC001772708264 1179295480 /nfs/dbraw/zinc/29/54/80/1179295480.db2.gz FKMQSVDGMGPGIP-ROUUACIJSA-N 1 0 327.428 2.316 50 0 EEAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000015062680 1226502219 /nfs/dbraw/zinc/50/22/19/1226502219.db2.gz WWIREGXRFJRZBA-OAHLLOKOSA-N 1 0 347.850 2.194 50 0 EEAARO CC(C)([NH3+])c1cn(C2CCN(C(=O)[C@@H]3CC34CCCC4)CC2)nn1 ZINC000048071961 1316582800 /nfs/dbraw/zinc/58/28/00/1316582800.db2.gz JCBQUDTUJRLTOT-AWEZNQCLSA-N 1 0 331.464 2.216 50 0 EEAARO CC(=O)N1CCC([NH+]2CCC(n3cc(CC(C)C)nn3)CC2)CC1 ZINC000048130459 1316590214 /nfs/dbraw/zinc/59/02/14/1316590214.db2.gz BJDVFUXDAOMKBZ-UHFFFAOYSA-N 1 0 333.480 2.124 50 0 EEAARO O=S(=O)(Cc1ccccc1)N[C@@H]1CCN(Cc2ccsc2)C1 ZINC000675008070 769024967 /nfs/dbraw/zinc/02/49/67/769024967.db2.gz UYGAMODDDCYLDS-MRXNPFEDSA-N 1 0 336.482 2.442 50 0 EEAARO Cc1nc(CC(=O)NC[C@@H]2CCCN(c3cc[nH+]cc3)C2)cs1 ZINC000952978478 796125335 /nfs/dbraw/zinc/12/53/35/796125335.db2.gz LUACMLLOLNQVIG-AWEZNQCLSA-N 1 0 330.457 2.422 50 0 EEAARO C[C@@H](C(=O)Nc1ccccc1NC(=O)CN(C)C)[NH+]1CCC(C)CC1 ZINC000952992299 796136909 /nfs/dbraw/zinc/13/69/09/796136909.db2.gz ZEWCXGGSSFDVOM-HNNXBMFYSA-N 1 0 346.475 2.246 50 0 EEAARO CCCn1cnnc1CNC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000823031272 798692382 /nfs/dbraw/zinc/69/23/82/798692382.db2.gz DDNVELPMQJYKFN-UHFFFAOYSA-N 1 0 341.459 2.184 50 0 EEAARO CCc1cc(C[NH+]2CCC(CNC(=O)c3cscn3)CC2)on1 ZINC000823565561 798748546 /nfs/dbraw/zinc/74/85/46/798748546.db2.gz LNEBWOHNAOMZAH-UHFFFAOYSA-N 1 0 334.445 2.336 50 0 EEAARO CCc1c(C(=O)NC2CC2)c(=O)cc(C)n1C[C@@H]1CCC[N@H+]1CC ZINC000012041302 799657071 /nfs/dbraw/zinc/65/70/71/799657071.db2.gz MGLSDTXCGZICTG-HNNXBMFYSA-N 1 0 331.460 2.096 50 0 EEAARO Cc1c(C(=O)NC2CC2)sc2ncnc(NCCC[NH+](C)C)c12 ZINC000012282295 800690469 /nfs/dbraw/zinc/69/04/69/800690469.db2.gz NFHQDUJBBIXPEL-UHFFFAOYSA-N 1 0 333.461 2.256 50 0 EEAARO O=C(/C=C/c1nc2ccccc2s1)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000828711194 800807290 /nfs/dbraw/zinc/80/72/90/800807290.db2.gz PLUSRKAZUXATOD-NPQIQWPPSA-N 1 0 345.468 2.130 50 0 EEAARO Cc1nccn1CC1(C[NH2+][C@@H]2CCC(=O)N(CC3CC3)CC2)CC1 ZINC001506400088 1114596029 /nfs/dbraw/zinc/59/60/29/1114596029.db2.gz SVCZHJCLFWWWJN-QGZVFWFLSA-N 1 0 330.476 2.352 50 0 EEAARO CC[NH+]1CCN(CC(=O)N(Cc2ccc(OC)cc2)CC(C)C)CC1 ZINC000055211973 214289734 /nfs/dbraw/zinc/28/97/34/214289734.db2.gz GMAPJGMCMOXHJK-UHFFFAOYSA-N 1 0 347.503 2.317 50 0 EEAARO Cn1nc(C(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)cc1-c1cccs1 ZINC000102155865 219187986 /nfs/dbraw/zinc/18/79/86/219187986.db2.gz RVXHRCBDWSBQJX-XYYAHUGASA-N 1 0 330.457 2.028 50 0 EEAARO CC(C)(O)C1CC[NH+](Cc2cc3cc4c(cc3[nH]c2=O)OCO4)CC1 ZINC000067643168 215172682 /nfs/dbraw/zinc/17/26/82/215172682.db2.gz DDDMDVPZPFSHES-UHFFFAOYSA-N 1 0 344.411 2.240 50 0 EEAARO CCCc1nc(C(=O)NC[C@H]2CC[N@@H+](C3CCOCC3)C2)cs1 ZINC000067696326 215189574 /nfs/dbraw/zinc/18/95/74/215189574.db2.gz BJGDAEFENNEKQP-CYBMUJFWSA-N 1 0 337.489 2.326 50 0 EEAARO COc1ccc(-c2nc(CN3CCO[C@H](C[NH3+])C3)c(C)o2)c(C)c1C ZINC000067722974 215194729 /nfs/dbraw/zinc/19/47/29/215194729.db2.gz IMHNLJCJAYQSAK-OAHLLOKOSA-N 1 0 345.443 2.435 50 0 EEAARO CCc1nccn1CCNc1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000222956586 539658157 /nfs/dbraw/zinc/65/81/57/539658157.db2.gz NCFJZZJOYCAMPD-OKILXGFUSA-N 1 0 326.448 2.430 50 0 EEAARO COc1ccc(Cl)cc1S(=O)(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000067834062 215224258 /nfs/dbraw/zinc/22/42/58/215224258.db2.gz VMRSRKAOODOFBZ-HNNXBMFYSA-N 1 0 344.864 2.113 50 0 EEAARO Cc1nnsc1C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000067855420 215233182 /nfs/dbraw/zinc/23/31/82/215233182.db2.gz OQBRBIDKPKPFLN-LBPRGKRZSA-N 1 0 334.420 2.238 50 0 EEAARO C[N@@H+]1CCC[C@H](CNC(=O)c2cnc(Nc3ccccc3)nc2)C1 ZINC000067880194 215239420 /nfs/dbraw/zinc/23/94/20/215239420.db2.gz MCPRUZSRJKLCSW-CQSZACIVSA-N 1 0 325.416 2.292 50 0 EEAARO Cc1nc(NCc2ccccc2-n2cncn2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067896133 215243482 /nfs/dbraw/zinc/24/34/82/215243482.db2.gz NQAFBCGKQSPGPP-HNNXBMFYSA-N 1 0 349.442 2.445 50 0 EEAARO O=C1N[C@](CCc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1CC1CC1 ZINC000067946413 215256453 /nfs/dbraw/zinc/25/64/53/215256453.db2.gz RTCALIMBBDHEDV-HXUWFJFHSA-N 1 0 341.455 2.319 50 0 EEAARO CN(C)c1cccc2c1cccc2S(=O)(=O)NCCCCC[NH3+] ZINC000001544881 209758307 /nfs/dbraw/zinc/75/83/07/209758307.db2.gz MLEBFEHOJICQQS-UHFFFAOYSA-N 1 0 335.473 2.313 50 0 in-vitro EEAARO Cc1ccc(S(=O)(=O)N2CCC(C[NH3+])CC2)c(Br)c1 ZINC000036296732 213083235 /nfs/dbraw/zinc/08/32/35/213083235.db2.gz QIHJBAKPGXROFI-UHFFFAOYSA-N 1 0 347.278 2.117 50 0 EEAARO O=C(NCc1ccccc1-n1cncn1)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072139147 216025936 /nfs/dbraw/zinc/02/59/36/216025936.db2.gz ORDCHMNFHOIXKA-HNNXBMFYSA-N 1 0 347.422 2.274 50 0 EEAARO COC(=O)CC[N@@H+]1C[C@@H](c2ccc(F)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072143522 216028637 /nfs/dbraw/zinc/02/86/37/216028637.db2.gz HGBQOYNVSWTLQB-QXAKKESOSA-N 1 0 332.419 2.251 50 0 EEAARO Cc1nc(-c2ccccc2)c(C(=O)N2CC[C@@](O)(C[NH+](C)C)C2)s1 ZINC000072149872 216038595 /nfs/dbraw/zinc/03/85/95/216038595.db2.gz KTWXABCXSPGHET-GOSISDBHSA-N 1 0 345.468 2.257 50 0 EEAARO O=C(NCCCc1nnc2ccccn21)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072151983 216041083 /nfs/dbraw/zinc/04/10/83/216041083.db2.gz MPZRAJXFMLREEI-OAHLLOKOSA-N 1 0 349.438 2.169 50 0 EEAARO Cc1ccc(SC2CCN(C(=O)C[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000072147895 216034920 /nfs/dbraw/zinc/03/49/20/216034920.db2.gz SUTVSMLWNUMDGI-HNNXBMFYSA-N 1 0 334.485 2.457 50 0 EEAARO [NH3+][C@H]1CCCN(C(=O)CCSc2ccc3c(c2)OCCO3)CC1 ZINC000072174512 216065065 /nfs/dbraw/zinc/06/50/65/216065065.db2.gz IUTKMXGVNSDHEQ-ZDUSSCGKSA-N 1 0 336.457 2.280 50 0 EEAARO CCc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCOC)C2)nc1 ZINC000072427365 216217293 /nfs/dbraw/zinc/21/72/93/216217293.db2.gz YTJJZVVUYBIQMW-PKOBYXMFSA-N 1 0 345.487 2.493 50 0 EEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2ccccc2OC)n1 ZINC000072441210 216235134 /nfs/dbraw/zinc/23/51/34/216235134.db2.gz XYSSMWIABYYCCL-UHFFFAOYSA-N 1 0 329.404 2.067 50 0 EEAARO CCc1nc(C)sc1CNc1nc(N(C)C)nc2c1CC[NH2+]CC2 ZINC000072462723 216245052 /nfs/dbraw/zinc/24/50/52/216245052.db2.gz XFYNPNXMEYDMPD-UHFFFAOYSA-N 1 0 346.504 2.170 50 0 EEAARO O=C(NC[C@@H]1CC[N@@H+](C/C=C/c2ccc(F)cc2)C[C@H]1O)C1CC1 ZINC000072481102 216262046 /nfs/dbraw/zinc/26/20/46/216262046.db2.gz GKTNPPMVQMHZLD-HKGBUXQTSA-N 1 0 332.419 2.048 50 0 EEAARO CCNC(=O)[C@@H]1C[C@H]([NH2+]Cc2cc(F)ccc2F)CN1C(C)C ZINC000023362916 212370215 /nfs/dbraw/zinc/37/02/15/212370215.db2.gz YIDPIVSDRWSHLH-HOCLYGCPSA-N 1 0 325.403 2.042 50 0 EEAARO NC(=O)[C@@H](c1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000023249115 212363757 /nfs/dbraw/zinc/36/37/57/212363757.db2.gz GVJJGXPDXSAIDM-LJQANCHMSA-N 1 0 341.430 2.212 50 0 EEAARO O[C@H]1CN(Cc2c(Cl)cncc2Cl)C[C@@H]1[NH+]1CCCCC1 ZINC000215681583 241139332 /nfs/dbraw/zinc/13/93/32/241139332.db2.gz CLQWUNLFIRTAAJ-GJZGRUSLSA-N 1 0 330.259 2.419 50 0 EEAARO Cc1ccc(OCC[NH3+])c(C(=O)N[C@@H](C)Cc2cccc(C)n2)c1 ZINC000426497205 241299712 /nfs/dbraw/zinc/29/97/12/241299712.db2.gz JMZTWSLIGQBJML-HNNXBMFYSA-N 1 0 327.428 2.397 50 0 EEAARO [NH3+]CCc1nnc(SCC[C@H]2CCOC2)n1-c1ccccc1F ZINC000426529515 241304498 /nfs/dbraw/zinc/30/44/98/241304498.db2.gz XSWLDPXUQJDGBR-GFCCVEGCSA-N 1 0 336.436 2.426 50 0 EEAARO COCCN(Cc1ccccc1F)C(=O)NCC1CC[NH+](C)CC1 ZINC000426548919 241308542 /nfs/dbraw/zinc/30/85/42/241308542.db2.gz XQELQTVMDYSPGB-UHFFFAOYSA-N 1 0 337.439 2.326 50 0 EEAARO Nc1nnc([C@@H](NC(=O)CC[NH+]2CCCCC2)c2ccccc2)s1 ZINC000219123655 241367852 /nfs/dbraw/zinc/36/78/52/241367852.db2.gz ZETGZJHJFHZILS-HNNXBMFYSA-N 1 0 345.472 2.202 50 0 EEAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)Cc1cc(=O)n2ccc(C)cc2n1 ZINC000244742032 243072394 /nfs/dbraw/zinc/07/23/94/243072394.db2.gz OAUKQRQEFYTNDB-UHFFFAOYSA-N 1 0 339.443 2.407 50 0 EEAARO COc1cc(CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)c(Cl)cc1O ZINC000020600820 212150988 /nfs/dbraw/zinc/15/09/88/212150988.db2.gz DLGNPNSKZVDGOM-AWEZNQCLSA-N 1 0 342.867 2.331 50 0 EEAARO CC(C)c1ccc2oc(=O)cc(CN3CC[NH+](CCO)CC3)c2c1 ZINC000020567114 212148178 /nfs/dbraw/zinc/14/81/78/212148178.db2.gz GKRFVXWOUIPAML-UHFFFAOYSA-N 1 0 330.428 2.026 50 0 EEAARO O[C@@H]1CCCOC12CC[NH+](Cc1cc(-c3ccncc3)no1)CC2 ZINC000252483505 243774322 /nfs/dbraw/zinc/77/43/22/243774322.db2.gz FCUCCLYCLCZCGO-QGZVFWFLSA-N 1 0 329.400 2.243 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2c[nH]c(=O)c(Cl)c2)CC1 ZINC000077452890 216908202 /nfs/dbraw/zinc/90/82/02/216908202.db2.gz CYXUWBUCJSVLFJ-UHFFFAOYSA-N 1 0 346.818 2.084 50 0 EEAARO COc1ccc(OC)c(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c1 ZINC000019745061 212060385 /nfs/dbraw/zinc/06/03/85/212060385.db2.gz QPMPEGNRLGLSIJ-KRWDZBQOSA-N 1 0 336.476 2.228 50 0 EEAARO COc1cccc2c1OC[C@H]([NH+]1CCC(CCNC(C)=O)CC1)C2 ZINC000012385586 211364144 /nfs/dbraw/zinc/36/41/44/211364144.db2.gz UVBNHGKVKUPBLI-QGZVFWFLSA-N 1 0 332.444 2.237 50 0 EEAARO CCn1ncc(C[NH2+][C@H]2CC(=O)N(Cc3cccc(F)c3)C2)c1C ZINC000011818405 211251350 /nfs/dbraw/zinc/25/13/50/211251350.db2.gz ISGKRDNCTBNIFM-KRWDZBQOSA-N 1 0 330.407 2.241 50 0 EEAARO O=C(C[N@@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1)N1CCCCCC1 ZINC000091563143 218022967 /nfs/dbraw/zinc/02/29/67/218022967.db2.gz PNIGDHXGXDBNEZ-FQEVSTJZSA-N 1 0 347.503 2.256 50 0 EEAARO COc1ccc(C(=O)NC[C@@H](c2cccn2C)[NH+](C)C)cc1OC ZINC000011846571 211256131 /nfs/dbraw/zinc/25/61/31/211256131.db2.gz AMLSNARGHHGHRI-HNNXBMFYSA-N 1 0 331.416 2.075 50 0 EEAARO Cn1cc(CN2CCO[C@@H](CC[NH+](C)C)C2)c(-c2ccccc2)n1 ZINC000011841041 211254511 /nfs/dbraw/zinc/25/45/11/211254511.db2.gz XRSOJCMZBWMNLG-SFHVURJKSA-N 1 0 328.460 2.240 50 0 EEAARO CCCCc1c(C)[nH+]c(N)nc1N1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000091616465 218031455 /nfs/dbraw/zinc/03/14/55/218031455.db2.gz ZZKFXUHSPHVADR-UHFFFAOYSA-N 1 0 342.447 2.000 50 0 EEAARO Cc1nc2ccc(-n3ncnc3CN3CCC[N@@H+](C)CC3)cc2s1 ZINC000091656791 218041986 /nfs/dbraw/zinc/04/19/86/218041986.db2.gz NPVAUMPLUXWGPY-UHFFFAOYSA-N 1 0 342.472 2.323 50 0 EEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000011665596 211232355 /nfs/dbraw/zinc/23/23/55/211232355.db2.gz YDLFKOUBACFFRU-QGZVFWFLSA-N 1 0 342.487 2.037 50 0 EEAARO CCn1c(C[NH2+]C(C)(C)C)nc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000009467086 211087671 /nfs/dbraw/zinc/08/76/71/211087671.db2.gz GPTSGIVIVCPNOH-UHFFFAOYSA-N 1 0 338.477 2.195 50 0 EEAARO C[C@@H](Cc1cnccn1)NC(=O)C[NH+]1CCC(c2ccccc2)CC1 ZINC000095375994 218308992 /nfs/dbraw/zinc/30/89/92/218308992.db2.gz VWZYIKQXGWMPNX-INIZCTEOSA-N 1 0 338.455 2.403 50 0 EEAARO COc1cccc(C)c1NC(=O)NCCC[N@@H+]1CCCC[C@@H]1CO ZINC000095526790 218430756 /nfs/dbraw/zinc/43/07/56/218430756.db2.gz BTWGQAMAOJDKEA-OAHLLOKOSA-N 1 0 335.448 2.362 50 0 EEAARO COc1ccc(CCCNC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000417207246 257955498 /nfs/dbraw/zinc/95/54/98/257955498.db2.gz MODFPLHXPXBQSN-LJQANCHMSA-N 1 0 331.460 2.413 50 0 EEAARO C[C@H](CCC(=O)NCc1ccnc2ccccc12)[NH+]1CCN(C)CC1 ZINC000299788732 258094955 /nfs/dbraw/zinc/09/49/55/258094955.db2.gz XOMFIOKDSJZFCG-MRXNPFEDSA-N 1 0 340.471 2.267 50 0 EEAARO O=C(Nc1ccc2c[nH]nc2c1)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299757993 258075989 /nfs/dbraw/zinc/07/59/89/258075989.db2.gz MEUPKPFVECNCRM-INIZCTEOSA-N 1 0 343.431 2.282 50 0 EEAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)NC[C@@H]1CCCOC1 ZINC000299763193 258080379 /nfs/dbraw/zinc/08/03/79/258080379.db2.gz ZZRZZADCTZMIPC-LBPRGKRZSA-N 1 0 326.824 2.224 50 0 EEAARO CCN(C[C@H](O)c1cccc(O)c1)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000534651018 468271062 /nfs/dbraw/zinc/27/10/62/468271062.db2.gz AURIBFXPNIWFEC-SFHVURJKSA-N 1 0 349.475 2.189 50 0 EEAARO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(CCn3cccn3)CC2)C1 ZINC000534676175 468273468 /nfs/dbraw/zinc/27/34/68/468273468.db2.gz HTOIVOMOWPTRDP-SFHVURJKSA-N 1 0 347.507 2.427 50 0 EEAARO CCOC(=O)c1cnc2ccc(C(=O)OC)cc2c1NCC[NH+](C)C ZINC000000132714 462543615 /nfs/dbraw/zinc/54/36/15/462543615.db2.gz HDWKVAMSBDTEIE-UHFFFAOYSA-N 1 0 345.399 2.172 50 0 EEAARO N=c1n(CC[NH+]2CCCC2)c2ccccc2n1C[C@@H](O)c1ccco1 ZINC000000241422 462550402 /nfs/dbraw/zinc/55/04/02/462550402.db2.gz MYLIWBUGKQFXNB-QGZVFWFLSA-N 1 0 340.427 2.345 50 0 EEAARO C[N@@H+]1CCC[C@@H]1CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000000352673 462555914 /nfs/dbraw/zinc/55/59/14/462555914.db2.gz AHHTZXULJDISNC-GFCCVEGCSA-N 1 0 347.278 2.212 50 0 EEAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2c(C)nn(C)c2C)N3)C1 ZINC000002785462 462603538 /nfs/dbraw/zinc/60/35/38/462603538.db2.gz IAYABDSJLIXGMI-OAHLLOKOSA-N 1 0 345.472 2.331 50 0 EEAARO Cc1cc(NC(=O)C[NH2+]C2CCCCC2)n(-c2nc(C)cc(C)n2)n1 ZINC000003215969 462612455 /nfs/dbraw/zinc/61/24/55/462612455.db2.gz ANPGSMCYEYNRKL-UHFFFAOYSA-N 1 0 342.447 2.448 50 0 EEAARO C[C@H]([NH2+]C[C@@H]1COc2ccccc2O1)C(=O)NCc1ccccc1 ZINC000003282097 462615191 /nfs/dbraw/zinc/61/51/91/462615191.db2.gz GBBLTMNYIAPFOL-GOEBONIOSA-N 1 0 326.396 2.121 50 0 EEAARO CC[NH+](CC)CCN1c2ccc(Br)cc2C(=O)C1=O ZINC000006759317 462702608 /nfs/dbraw/zinc/70/26/08/462702608.db2.gz XYTCKROCDJCWRW-UHFFFAOYSA-N 1 0 325.206 2.320 50 0 EEAARO CN(C)C(=O)C[N@@H+]1CCCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000129362798 462702753 /nfs/dbraw/zinc/70/27/53/462702753.db2.gz KHFLDNOFXHQWIL-UHFFFAOYSA-N 1 0 327.831 2.075 50 0 EEAARO COc1ccc([C@@H](C[NH2+]C[C@@H](O)CO)c2c[nH]c3ccccc32)cc1 ZINC000006787582 462705304 /nfs/dbraw/zinc/70/53/04/462705304.db2.gz UVJSDAPODUUICQ-CRAIPNDOSA-N 1 0 340.423 2.251 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)COc1cccc(Br)c1 ZINC000007724455 462747090 /nfs/dbraw/zinc/74/70/90/462747090.db2.gz UXJZKTZQDWCUEK-CYBMUJFWSA-N 1 0 341.249 2.428 50 0 EEAARO O=C(c1cc(-c2ccccc2)n[nH]1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000007775942 462749695 /nfs/dbraw/zinc/74/96/95/462749695.db2.gz JJZJSHRUDIHSOB-UHFFFAOYSA-N 1 0 333.395 2.434 50 0 EEAARO CCc1cc(N[C@H](C)c2c(C)nn(C)c2C)nc(N2CCOCC2)[nH+]1 ZINC000065403260 462765751 /nfs/dbraw/zinc/76/57/51/462765751.db2.gz WJBBTPSPCRRSGP-GFCCVEGCSA-N 1 0 344.463 2.399 50 0 EEAARO CCCC[N@H+](CC)C[C@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000008428528 462783251 /nfs/dbraw/zinc/78/32/51/462783251.db2.gz UBQDXAVPRZGBMZ-HNNXBMFYSA-N 1 0 339.432 2.344 50 0 EEAARO O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC000012594141 462857998 /nfs/dbraw/zinc/85/79/98/462857998.db2.gz WQMYOHLILUPGMY-QGZVFWFLSA-N 1 0 340.431 2.255 50 0 EEAARO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1cccc(F)c1 ZINC000012792684 462868735 /nfs/dbraw/zinc/86/87/35/462868735.db2.gz PYACEBNXRCXKJZ-UHFFFAOYSA-N 1 0 328.391 2.372 50 0 EEAARO COCc1cc(CNC(=O)c2ccc(C[NH+]3CCCCC3)cc2)[nH]n1 ZINC000091327033 462873824 /nfs/dbraw/zinc/87/38/24/462873824.db2.gz QCXNUBSNHAMTKL-UHFFFAOYSA-N 1 0 342.443 2.472 50 0 EEAARO CCNC(=O)NC(=O)[C@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000012904449 462874591 /nfs/dbraw/zinc/87/45/91/462874591.db2.gz BUJGJYSRVVVMQS-AWEZNQCLSA-N 1 0 347.459 2.271 50 0 EEAARO CCCCc1cn(C2CCN(C(=O)[C@@H](C)[NH+]3CCCC3)CC2)nn1 ZINC000048422388 462908152 /nfs/dbraw/zinc/90/81/52/462908152.db2.gz LARGVPKNSZFXJE-OAHLLOKOSA-N 1 0 333.480 2.269 50 0 EEAARO CN(Cc1csc(-c2cccs2)n1)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000077505576 462996831 /nfs/dbraw/zinc/99/68/31/462996831.db2.gz USULVIFCYKEARF-LBPRGKRZSA-N 1 0 337.470 2.209 50 0 EEAARO Cc1cc(N2CCCCC2)nc(NCCNC(=O)C2CCCC2)[nH+]1 ZINC000067629557 463028828 /nfs/dbraw/zinc/02/88/28/463028828.db2.gz ZUYPMNFJMCDZCC-UHFFFAOYSA-N 1 0 331.464 2.494 50 0 EEAARO O=C([C@H]1CCOc2ccccc2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000095497867 463094892 /nfs/dbraw/zinc/09/48/92/463094892.db2.gz RSSGLXXYVWSKJR-KRWDZBQOSA-N 1 0 337.423 2.372 50 0 EEAARO Cn1ccnc1CN1CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095498786 463095046 /nfs/dbraw/zinc/09/50/46/463095046.db2.gz RYJUNIMJMUNPDX-KRWDZBQOSA-N 1 0 340.471 2.179 50 0 EEAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000095522421 463101838 /nfs/dbraw/zinc/10/18/38/463101838.db2.gz ZCNVJJDQWACHRH-CTNGQTDRSA-N 1 0 342.483 2.487 50 0 EEAARO 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215220145 /nfs/dbraw/zinc/22/01/45/215220145.db2.gz GNPQLLDMNJXFKI-HNNXBMFYSA-N 1 0 338.455 2.327 50 0 EEAARO COc1cccc(CN2CCN(Cc3cccnc3)C[C@H]2CCO)c1 ZINC000104393137 219383797 /nfs/dbraw/zinc/38/37/97/219383797.db2.gz CFOGMEAUISUFDN-LJQANCHMSA-N 1 0 341.455 2.159 50 0 EEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000072134345 216023149 /nfs/dbraw/zinc/02/31/49/216023149.db2.gz XYHCPVTUGZHULD-KRWDZBQOSA-N 1 0 342.842 2.327 50 0 EEAARO CC(C)OCC(=O)N1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072151283 216039217 /nfs/dbraw/zinc/03/92/17/216039217.db2.gz QKXUWXAOKHYTAE-DFQSSKMNSA-N 1 0 344.455 2.206 50 0 EEAARO [NH3+][C@@H]1CCCN(S(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)C1 ZINC000036296945 283566921 /nfs/dbraw/zinc/56/69/21/283566921.db2.gz UFTTZZGUWDTGQA-SECBINFHSA-N 1 0 342.770 2.471 50 0 EEAARO CC(C)([NH3+])C(=O)N1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072433652 216228142 /nfs/dbraw/zinc/22/81/42/216228142.db2.gz GDSSIJZYTDZQIN-HXUWFJFHSA-N 1 0 343.471 2.155 50 0 EEAARO O=C1CC[C@H]2C[N@H+](Cc3ccoc3)CC[C@H]2N1CCc1c[nH]cn1 ZINC000072475624 216252590 /nfs/dbraw/zinc/25/25/90/216252590.db2.gz NPMHOXOUXOZYOW-DOTOQJQBSA-N 1 0 328.416 2.058 50 0 EEAARO C[NH+]1CCN(Cc2cc(=O)oc3cc(Br)ccc23)CC1 ZINC000023467758 212378846 /nfs/dbraw/zinc/37/88/46/212378846.db2.gz ZXXZDLKOHGXLNZ-UHFFFAOYSA-N 1 0 337.217 2.303 50 0 EEAARO COc1ccc(NC(=O)C[C@H](C)[NH2+]CC(C)(C)N2CCOCC2)cc1 ZINC000022787374 212324931 /nfs/dbraw/zinc/32/49/31/212324931.db2.gz YYWPLHNSQIBDRK-HNNXBMFYSA-N 1 0 349.475 2.113 50 0 EEAARO COc1ccc([C@@H](CNC(=O)c2ccco2)N2CC[NH+](C)CC2)cc1 ZINC000022579687 212309200 /nfs/dbraw/zinc/30/92/00/212309200.db2.gz LSLNIEFFXZEAPM-QGZVFWFLSA-N 1 0 343.427 2.007 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)N(CCOC)Cc1ccsc1 ZINC000426380774 241271776 /nfs/dbraw/zinc/27/17/76/241271776.db2.gz ZMLJWHLEPCWABB-HNNXBMFYSA-N 1 0 325.478 2.390 50 0 EEAARO C[C@H](c1ccncn1)N(C)C(=O)c1cc(Cl)ccc1OCC[NH3+] ZINC000426518731 241302039 /nfs/dbraw/zinc/30/20/39/241302039.db2.gz IIGWTCRDZDRHOA-LLVKDONJSA-N 1 0 334.807 2.301 50 0 EEAARO O=C(NCCc1ccccc1)N1CC[NH+](C2CCSCC2)CC1 ZINC000426510134 241302631 /nfs/dbraw/zinc/30/26/31/241302631.db2.gz KUJYFOMYVVIWSG-UHFFFAOYSA-N 1 0 333.501 2.452 50 0 EEAARO O=C(NCc1c[nH]nc1-c1ccc(Cl)cc1)NC1CC[NH2+]CC1 ZINC000426526038 241303647 /nfs/dbraw/zinc/30/36/47/241303647.db2.gz JJXIETWNFVZUKY-UHFFFAOYSA-N 1 0 333.823 2.281 50 0 EEAARO COc1ccc(OCCSc2nnc([C@@H]3CCC[NH2+]C3)n2C)cc1 ZINC000426584004 241313806 /nfs/dbraw/zinc/31/38/06/241313806.db2.gz KXTKQPZNMCMAQW-CYBMUJFWSA-N 1 0 348.472 2.462 50 0 EEAARO O=C(Cc1c(F)cccc1Cl)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000219560974 241396564 /nfs/dbraw/zinc/39/65/64/241396564.db2.gz BTIACGLLGOQVOL-HOTGVXAUSA-N 1 0 340.826 2.079 50 0 EEAARO CN(Cc1cc(C2CC2)on1)Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C1CC1 ZINC000240824936 242977157 /nfs/dbraw/zinc/97/71/57/242977157.db2.gz QMIMBJIIJUDULC-JOCQHMNTSA-N 1 0 342.447 2.315 50 0 EEAARO Cc1cc(N2CCCN(Cc3noc([C@@H]4CCCO4)n3)CC2)cc[nH+]1 ZINC000244773868 243078089 /nfs/dbraw/zinc/07/80/89/243078089.db2.gz PIAWNPARGDDJGW-INIZCTEOSA-N 1 0 343.431 2.337 50 0 EEAARO C[C@H](CN1CC[NH+](C)CC1)OC(=O)c1cccc(Br)c1 ZINC000019878119 212078603 /nfs/dbraw/zinc/07/86/03/212078603.db2.gz JJUVOGRZKOLPGK-GFCCVEGCSA-N 1 0 341.249 2.242 50 0 EEAARO COc1ccccc1C(=O)N1CCC([NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000019831695 212072951 /nfs/dbraw/zinc/07/29/51/212072951.db2.gz IXCILAIFJHDNBF-GJZGRUSLSA-N 1 0 332.444 2.409 50 0 EEAARO COc1ccc2c(c1)C=C(CN1CC[N@H+](C(C)C)[C@@H](CCO)C1)CO2 ZINC000019742965 212059857 /nfs/dbraw/zinc/05/98/57/212059857.db2.gz OHCFKXFRSXOZLU-SFHVURJKSA-N 1 0 346.471 2.248 50 0 EEAARO COc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)C(=O)C(C)(C)O)C1 ZINC000012471962 211389711 /nfs/dbraw/zinc/38/97/11/211389711.db2.gz KKOJMKLTCXPNHE-MRXNPFEDSA-N 1 0 348.487 2.179 50 0 EEAARO CC(C)CC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000012440735 211383296 /nfs/dbraw/zinc/38/32/96/211383296.db2.gz QKCOLDSEFPOTAK-INIZCTEOSA-N 1 0 328.420 2.111 50 0 EEAARO Cc1cc(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)cc[nH+]1 ZINC000011906570 211266663 /nfs/dbraw/zinc/26/66/63/211266663.db2.gz DCIYXIICEQSQOB-UHFFFAOYSA-N 1 0 331.397 2.318 50 0 EEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC000091519321 218016843 /nfs/dbraw/zinc/01/68/43/218016843.db2.gz BMBHKICHOGHYPF-SFHVURJKSA-N 1 0 326.444 2.422 50 0 EEAARO Cc1nonc1CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccc2)C1 ZINC000091586256 218026183 /nfs/dbraw/zinc/02/61/83/218026183.db2.gz AQPADYVLHKRCKM-IAGOWNOFSA-N 1 0 340.427 2.044 50 0 EEAARO O=C(NCc1cccnc1-n1ccnc1)C1([NH+]2CCCC2)CCCC1 ZINC000011819826 211252632 /nfs/dbraw/zinc/25/26/32/211252632.db2.gz YIVWHGJLCWIDNR-UHFFFAOYSA-N 1 0 339.443 2.292 50 0 EEAARO C[N@H+](CC(=O)N1CC[C@H](Cc2cccc(CO)c2)C1)C1CCCC1 ZINC000091943688 218092166 /nfs/dbraw/zinc/09/21/66/218092166.db2.gz FVADNKQNAMFIFU-QGZVFWFLSA-N 1 0 330.472 2.444 50 0 EEAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3cccc(F)c3n2)C1 ZINC000091894779 218086365 /nfs/dbraw/zinc/08/63/65/218086365.db2.gz FJWMASLEDXOMAF-AWEZNQCLSA-N 1 0 345.418 2.462 50 0 EEAARO O=C(c1nccc2ccccc21)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077506146 284770914 /nfs/dbraw/zinc/77/09/14/284770914.db2.gz UOXKSBLVLZBLDD-FQEVSTJZSA-N 1 0 339.439 2.298 50 0 EEAARO O=C(NCCCn1ccnn1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000095363445 218297146 /nfs/dbraw/zinc/29/71/46/218297146.db2.gz KUWYKUFPFCIWNH-UHFFFAOYSA-N 1 0 327.432 2.084 50 0 EEAARO Cc1cccc(C)c1OC1CN(C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)C1 ZINC000095371329 218304541 /nfs/dbraw/zinc/30/45/41/218304541.db2.gz SJVCGKIKSCAMSK-SFHVURJKSA-N 1 0 340.423 2.169 50 0 EEAARO Fc1ccc2c(c1)ncnc2N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000095389060 218321114 /nfs/dbraw/zinc/32/11/14/218321114.db2.gz ZODSKOWAKRTMBG-HNNXBMFYSA-N 1 0 330.407 2.460 50 0 EEAARO COc1cccc2c1OC[C@H](CNC(=O)C[N@H+](C)C1CCCC1)C2 ZINC000095383836 218315726 /nfs/dbraw/zinc/31/57/26/218315726.db2.gz MEMCAMISMJEVQZ-AWEZNQCLSA-N 1 0 332.444 2.237 50 0 EEAARO COCCC[N@@H+](Cc1cccn1C)C[C@H](O)COc1ccccc1 ZINC000004924324 210326097 /nfs/dbraw/zinc/32/60/97/210326097.db2.gz ICCKMJMJOGMJNP-SFHVURJKSA-N 1 0 332.444 2.304 50 0 EEAARO CCOC(=O)/C=C/c1ccc([C@H]2CCCN2CC[NH2+]CCCO)cc1 ZINC000097463411 219025936 /nfs/dbraw/zinc/02/59/36/219025936.db2.gz RKIWWOGYBPTDRO-UFUQCMIWSA-N 1 0 346.471 2.372 50 0 EEAARO O[C@@H]1CN(CCc2nc3cc(F)ccc3[nH]2)CC[N@@H+](C2CCCC2)C1 ZINC000097547845 219034338 /nfs/dbraw/zinc/03/43/38/219034338.db2.gz MELPGZPGCKVPMI-MRXNPFEDSA-N 1 0 346.450 2.166 50 0 EEAARO O=C(NC[C@H](O)Cc1ccccc1)NC1CC[NH+](C2CCCC2)CC1 ZINC000267293582 256046289 /nfs/dbraw/zinc/04/62/89/256046289.db2.gz JERUOSNSJZMELQ-LJQANCHMSA-N 1 0 345.487 2.296 50 0 EEAARO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000119448188 221323248 /nfs/dbraw/zinc/32/32/48/221323248.db2.gz JCYKKEIPLVTHCZ-HZMBPMFUSA-N 1 0 341.814 2.216 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cnc(-c4ccco4)nc3)[C@H]1C[C@H](O)CC2 ZINC000299774840 258085535 /nfs/dbraw/zinc/08/55/35/258085535.db2.gz JOYSXILWZMIKRO-UWWQBHOKSA-N 1 0 329.400 2.241 50 0 EEAARO COc1ccc(CC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)cc1OC ZINC000036077825 286298403 /nfs/dbraw/zinc/29/84/03/286298403.db2.gz WXRYUNFGRMNXMY-HNNXBMFYSA-N 1 0 334.460 2.483 50 0 EEAARO COc1ccc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000000141279 462543648 /nfs/dbraw/zinc/54/36/48/462543648.db2.gz PGRHUPFWWQDFDZ-UHFFFAOYSA-N 1 0 326.462 2.283 50 0 EEAARO Cc1ccccc1[C@H](CNC(=O)c1cnn2ccn(C)c12)[NH+](C)C ZINC000065385335 462760901 /nfs/dbraw/zinc/76/09/01/462760901.db2.gz WFQRBFRVCVMWJA-INIZCTEOSA-N 1 0 325.416 2.014 50 0 EEAARO Cc1ccsc1[C@@H](CNC(=O)c1cnn2ccn(C)c12)[NH+](C)C ZINC000065381330 462761567 /nfs/dbraw/zinc/76/15/67/462761567.db2.gz QWWYDYGALWPEOI-CYBMUJFWSA-N 1 0 331.445 2.075 50 0 EEAARO Cc1noc(C)c1S(=O)(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008230362 462773569 /nfs/dbraw/zinc/77/35/69/462773569.db2.gz VKQIEWRQHIEQOS-UHFFFAOYSA-N 1 0 349.456 2.366 50 0 EEAARO [NH2+]=C1N=C2Oc3ccccc3N2[C@H](c2coc3ccccc3c2=O)N1 ZINC000012557330 462856664 /nfs/dbraw/zinc/85/66/64/462856664.db2.gz HJCQZAJRYNMMBV-MRXNPFEDSA-N 1 0 332.319 2.375 50 0 EEAARO Cc1[nH]c2c(cccc2F)c1CC(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000091321638 462872834 /nfs/dbraw/zinc/87/28/34/462872834.db2.gz VRXRUVRCNMCRCV-AWEZNQCLSA-N 1 0 347.434 2.121 50 0 EEAARO CC(C)CN1C(=O)N(C)C2(CC[NH+](Cc3ccc(O)cc3)CC2)C1=O ZINC000014543541 462928164 /nfs/dbraw/zinc/92/81/64/462928164.db2.gz XRTHNWSBQHRJPX-UHFFFAOYSA-N 1 0 345.443 2.277 50 0 EEAARO c1cc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)n(-c2ccccn2)c1 ZINC000015077581 462940781 /nfs/dbraw/zinc/94/07/81/462940781.db2.gz CYVGPANBDOFANN-MRXNPFEDSA-N 1 0 334.427 2.421 50 0 EEAARO CC[NH+](CC)CCCNC(=O)c1nn(C)c2c1COc1ccccc1-2 ZINC000015674117 462958900 /nfs/dbraw/zinc/95/89/00/462958900.db2.gz FZGDMNOQUCANKT-UHFFFAOYSA-N 1 0 342.443 2.441 50 0 EEAARO Cc1cc(C)n(CCCn2cnc3sc4c(c3c2=O)CC[NH2+]C4)n1 ZINC000077407763 462981004 /nfs/dbraw/zinc/98/10/04/462981004.db2.gz IOUWVEKHIXNOMM-UHFFFAOYSA-N 1 0 343.456 2.007 50 0 EEAARO CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH2+]C3CCCCC3)C2=O)cc1 ZINC000017084924 462994615 /nfs/dbraw/zinc/99/46/15/462994615.db2.gz OGSVAKNCFKMGIQ-INIZCTEOSA-N 1 0 344.411 2.418 50 0 EEAARO Cc1n[nH]c(CCC[NH+]2CCN(c3nc(C)cnc3C)CC2)c1C ZINC000019223184 463016437 /nfs/dbraw/zinc/01/64/37/463016437.db2.gz SYDUANVPRLMQIX-UHFFFAOYSA-N 1 0 328.464 2.188 50 0 EEAARO CC(C)[C@@H](CNc1ccc2nnnn2n1)[N@@H+]1CCc2ccccc2C1 ZINC000026727867 463170546 /nfs/dbraw/zinc/17/05/46/463170546.db2.gz FOFFKEHRRSOIMD-MRXNPFEDSA-N 1 0 337.431 2.014 50 0 EEAARO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027038434 463180095 /nfs/dbraw/zinc/18/00/95/463180095.db2.gz SCSJOZJGJRVQLM-AVGNSLFASA-N 1 0 333.432 2.361 50 0 EEAARO C[NH2+]Cc1nc([C@@H](O)c2ccccc2)nn1C1Cc2ccccc2C1 ZINC000096150305 463186985 /nfs/dbraw/zinc/18/69/85/463186985.db2.gz CDIJGRVJLHFSCC-IBGZPJMESA-N 1 0 334.423 2.419 50 0 EEAARO CCCCSC[C@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000136528820 463243652 /nfs/dbraw/zinc/24/36/52/463243652.db2.gz VVCPVDOFZBZVID-ARFHVFGLSA-N 1 0 336.501 2.162 50 0 biogenic EEAARO C[NH+](C)C1(CNC=C2c3ccccc3C(=O)NC2=O)CCCCC1 ZINC000029185208 463246152 /nfs/dbraw/zinc/24/61/52/463246152.db2.gz COFWMAAWBJUZBU-FOWTUZBSSA-N 1 0 327.428 2.152 50 0 EEAARO O=C([C@H]1Cc2ccccc2S1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000030881384 463315865 /nfs/dbraw/zinc/31/58/65/463315865.db2.gz HLWMGUXSUUUMJQ-QGZVFWFLSA-N 1 0 325.437 2.447 50 0 EEAARO Cc1cc(NC(=O)[C@H](C)N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)on1 ZINC000097200911 463345130 /nfs/dbraw/zinc/34/51/30/463345130.db2.gz QGSCECSDJRZDHS-GJZGRUSLSA-N 1 0 343.431 2.447 50 0 EEAARO CCc1nnsc1C(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000071752529 463422220 /nfs/dbraw/zinc/42/22/20/463422220.db2.gz SQNCBRHAHJLCSL-UHFFFAOYSA-N 1 0 331.445 2.156 50 0 EEAARO CN(C)Cc1nnc(C2CC[NH+](Cc3cccnc3)CC2)n1C1CC1 ZINC000082091144 463513258 /nfs/dbraw/zinc/51/32/58/463513258.db2.gz CORVUHXZAACMSU-UHFFFAOYSA-N 1 0 340.475 2.449 50 0 EEAARO Cc1cnn(C[C@H]2CCC[N@@H+]2C[C@@H](O)COCc2cccs2)c1 ZINC000106785796 463534869 /nfs/dbraw/zinc/53/48/69/463534869.db2.gz KKKXQPQEGUDWOK-HZPDHXFCSA-N 1 0 335.473 2.295 50 0 EEAARO COc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)cc2c1OCCO2 ZINC000106779034 463535203 /nfs/dbraw/zinc/53/52/03/463535203.db2.gz HRLNOKMLZIROPP-LSDHHAIUSA-N 1 0 346.427 2.165 50 0 EEAARO Cc1cc2ncn(C[C@H](O)C[NH2+][C@H](C)[C@H](C)n3cccn3)c2cc1C ZINC000106909879 463549647 /nfs/dbraw/zinc/54/96/47/463549647.db2.gz BTAPZOBZIUYYDF-IXDOHACOSA-N 1 0 341.459 2.450 50 0 EEAARO COc1ccc([C@@H]2[C@H](CNC(=O)Cn3cccn3)CCC[N@@H+]2C)cc1 ZINC000106912335 463550227 /nfs/dbraw/zinc/55/02/27/463550227.db2.gz ROAVIVWUSHUARJ-QFBILLFUSA-N 1 0 342.443 2.091 50 0 EEAARO C[C@H](O)C[N@@H+]1CCN(C[C@H](O)c2cc(Cl)ccc2Cl)C[C@@H]1C ZINC000106929158 463553259 /nfs/dbraw/zinc/55/32/59/463553259.db2.gz FRRYPYHIMXATNH-MKBNYLNASA-N 1 0 347.286 2.414 50 0 EEAARO C[C@@H]1C[N@H+](C[C@@H](O)COCc2ccccc2)CCN1c1nccs1 ZINC000108075604 463589797 /nfs/dbraw/zinc/58/97/97/463589797.db2.gz HVBWPSQIRQIBHZ-NVXWUHKLSA-N 1 0 347.484 2.231 50 0 EEAARO O=C(C[NH+]1CCCCCCC1)NCc1ccccc1-n1cncn1 ZINC000219722883 464111454 /nfs/dbraw/zinc/11/14/54/464111454.db2.gz CXDOAQQBSOKDLB-UHFFFAOYSA-N 1 0 327.432 2.150 50 0 EEAARO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@]2(CO)C1 ZINC000307349478 466495484 /nfs/dbraw/zinc/49/54/84/466495484.db2.gz OSEDPPWFWPLARC-QFBILLFUSA-N 1 0 332.444 2.348 50 0 EEAARO CCc1csc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)n1 ZINC000670455268 485650318 /nfs/dbraw/zinc/65/03/18/485650318.db2.gz LCBMQIHSBQSACE-CYBMUJFWSA-N 1 0 337.489 2.213 50 0 EEAARO CC(C)(C)OC(=O)N1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H](C1)[C@@H]2O ZINC000242495694 534864588 /nfs/dbraw/zinc/86/45/88/534864588.db2.gz GMERESWKDRCPSN-FVQHAEBGSA-N 1 0 332.444 2.346 50 0 EEAARO COC(=O)c1ccc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)cc1 ZINC000012704749 536705247 /nfs/dbraw/zinc/70/52/47/536705247.db2.gz CFIJOLXZPVNPAC-INIZCTEOSA-N 1 0 326.400 2.022 50 0 EEAARO Cc1ccccc1C[N@@H+]1CCN(Cc2ccncc2)C[C@@H]1CCO ZINC000020325326 683549968 /nfs/dbraw/zinc/54/99/68/683549968.db2.gz WIKZRGIQWMDHRD-FQEVSTJZSA-N 1 0 325.456 2.459 50 0 EEAARO CC(=O)N1CCC(NC(=O)C[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000104699711 1204655415 /nfs/dbraw/zinc/65/54/15/1204655415.db2.gz XIICVKWXIPZUFX-HXUWFJFHSA-N 1 0 343.471 2.245 50 0 EEAARO Cn1c(C(=O)NC[C@@]2(O)CCC[NH2+]CC2)cc2cccc(Cl)c21 ZINC000072154143 1253448442 /nfs/dbraw/zinc/44/84/42/1253448442.db2.gz VALAYPDFTPBEHK-QGZVFWFLSA-N 1 0 335.835 2.066 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CN1CCCN(C(=O)CCc2cccnc2)CC1 ZINC001772807160 1410369266 /nfs/dbraw/zinc/36/92/66/1410369266.db2.gz LCZKRWDADXMMOV-LJQANCHMSA-N 1 0 344.503 2.033 50 0 EEAARO Cc1nnc(CN2CCC3(CC[NH+](C4CCCC4)CC3)[C@H](CO)C2)o1 ZINC000219637432 785863583 /nfs/dbraw/zinc/86/35/83/785863583.db2.gz HEEULCODYDDQCQ-INIZCTEOSA-N 1 0 348.491 2.217 50 0 EEAARO Cc1ccc(N2CCC([NH+]3CCN(CCO)CC3)CC2)cc1Cl ZINC000952965617 796085096 /nfs/dbraw/zinc/08/50/96/796085096.db2.gz ARBBWGINPJLIRK-UHFFFAOYSA-N 1 0 337.895 2.227 50 0 EEAARO Cc1ccc(NC(=O)CN(C)C)c(NC(=O)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000952991214 796166689 /nfs/dbraw/zinc/16/66/89/796166689.db2.gz ZXGIRWINEHPJCX-OAHLLOKOSA-N 1 0 346.475 2.166 50 0 EEAARO C[C@H](NC(=O)NCC1CC[NH2+]CC1)c1cnn(-c2ccc(F)cc2)c1 ZINC000828001121 800563774 /nfs/dbraw/zinc/56/37/74/800563774.db2.gz XCEDKDYXIGSFSY-ZDUSSCGKSA-N 1 0 345.422 2.371 50 0 EEAARO O=C(C[NH2+]CCn1nnc2ccccc21)Nc1ccc(Cl)cc1F ZINC000065463891 803249806 /nfs/dbraw/zinc/24/98/06/803249806.db2.gz ARIBNKLIFRUBIR-UHFFFAOYSA-N 1 0 347.781 2.452 50 0 EEAARO CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001506403861 1114597270 /nfs/dbraw/zinc/59/72/70/1114597270.db2.gz UQSOLKZBASKWJB-GFCCVEGCSA-N 1 0 346.880 2.372 50 0 EEAARO Cc1c(Cl)cccc1NC(=O)CC(=O)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC001506413658 1114600288 /nfs/dbraw/zinc/60/02/88/1114600288.db2.gz KOLCNQOOBPHSDG-OLZOCXBDSA-N 1 0 335.835 2.187 50 0 EEAARO Cc1cc2c(cc1C[N@H+]1C[C@@H](Cc3ccncc3)[C@H](O)C1)OCO2 ZINC001529152826 1121343755 /nfs/dbraw/zinc/34/37/55/1121343755.db2.gz YPGIFSXFMUYQHS-IAGOWNOFSA-N 1 0 326.396 2.154 50 0 EEAARO CSc1nc(N2CCC[C@H](C(=O)c3ccccn3)C2)cc(N)[nH+]1 ZINC001529180179 1121356131 /nfs/dbraw/zinc/35/61/31/1121356131.db2.gz CJRMRMQLDHXWMA-NSHDSACASA-N 1 0 329.429 2.275 50 0 EEAARO CCc1oc(C(=O)NCCSc2nc[nH]n2)cc1C[NH+]1CCCC1 ZINC000055169144 214283372 /nfs/dbraw/zinc/28/33/72/214283372.db2.gz XTYZEMGXZAZWDT-UHFFFAOYSA-N 1 0 349.460 2.078 50 0 EEAARO Cc1nsc(NC(=O)NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000055254323 214296038 /nfs/dbraw/zinc/29/60/38/214296038.db2.gz WCIPEHSZSBMGOO-UHFFFAOYSA-N 1 0 332.433 2.028 50 0 EEAARO CC(C)C[N@H+](CCn1c2ccccc2oc1=O)Cc1cnn(C)c1 ZINC000055280983 214300546 /nfs/dbraw/zinc/30/05/46/214300546.db2.gz UMUBHJREJWEENP-UHFFFAOYSA-N 1 0 328.416 2.486 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCCCN1Cc2ccccc2C1=O ZINC000055281736 214300778 /nfs/dbraw/zinc/30/07/78/214300778.db2.gz KBEHBKLXZYGEHJ-QGZVFWFLSA-N 1 0 343.471 2.413 50 0 EEAARO CCC[C@H](CNC(=O)CCC(=O)NC1CCCCCC1)[NH+](C)C ZINC000055413791 214321524 /nfs/dbraw/zinc/32/15/24/214321524.db2.gz BPAIKNLJBMBFCQ-MRXNPFEDSA-N 1 0 325.497 2.452 50 0 EEAARO [NH3+]CCN1C(=O)S/C(=C\c2cccc(Br)c2)C1=O ZINC000003298662 210000910 /nfs/dbraw/zinc/00/09/10/210000910.db2.gz CBNLXOLEBGDFKH-YFHOEESVSA-N 1 0 327.203 2.444 50 0 EEAARO O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1ccsc1 ZINC000067788887 215213767 /nfs/dbraw/zinc/21/37/67/215213767.db2.gz MFBIJXDKMYCQSX-LJQANCHMSA-N 1 0 344.480 2.434 50 0 EEAARO CCC[NH+]1CCC(Cc2noc(C3CCS(=O)(=O)CC3)n2)CC1 ZINC000067921393 215251574 /nfs/dbraw/zinc/25/15/74/215251574.db2.gz QMLHPPMUPGJNNQ-UHFFFAOYSA-N 1 0 341.477 2.026 50 0 EEAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(=O)c(Cl)c2)C1 ZINC000067947482 215256389 /nfs/dbraw/zinc/25/63/89/215256389.db2.gz BMFIQSTWAKAHBX-LBPRGKRZSA-N 1 0 325.840 2.126 50 0 EEAARO CN1CC[N@H+](C)[C@H](CC(=O)NCc2cc(Cl)ccc2Cl)C1 ZINC000039532467 213240001 /nfs/dbraw/zinc/24/00/01/213240001.db2.gz DTWPPIOSJKYGCK-CYBMUJFWSA-N 1 0 330.259 2.246 50 0 EEAARO CCn1ccnc1CN1CC[N@H+](Cc2ccccc2C)[C@H](CCO)C1 ZINC000039447585 213236455 /nfs/dbraw/zinc/23/64/55/213236455.db2.gz LNXPBUMGMNBGGZ-LJQANCHMSA-N 1 0 342.487 2.280 50 0 EEAARO O=C(c1ccc[nH]1)N1CCC[C@H]([NH+]2CCN(c3ccccc3)CC2)C1 ZINC000072174051 216064782 /nfs/dbraw/zinc/06/47/82/216064782.db2.gz CVOREBMGCVIWRV-SFHVURJKSA-N 1 0 338.455 2.442 50 0 EEAARO Cc1ncc2c(c1CNC(=O)CCC(=O)c1ccccc1)CC[NH2+]C2 ZINC000072476183 216254098 /nfs/dbraw/zinc/25/40/98/216254098.db2.gz ARFGOBQOLDUIAY-UHFFFAOYSA-N 1 0 337.423 2.315 50 0 EEAARO CC(C)([NH3+])CN1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072479869 216259899 /nfs/dbraw/zinc/25/98/99/216259899.db2.gz LMECXCJKUWFTKS-IBGZPJMESA-N 1 0 330.476 2.024 50 0 EEAARO C[NH+](C)C1(CNC(=O)Nc2cccc3cnccc32)CCOCC1 ZINC000073028189 216341837 /nfs/dbraw/zinc/34/18/37/216341837.db2.gz JELQTGJFZUGUDE-UHFFFAOYSA-N 1 0 328.416 2.467 50 0 EEAARO NC(=O)c1cccc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)c1 ZINC000023081856 212347310 /nfs/dbraw/zinc/34/73/10/212347310.db2.gz ZGGMCSWHUJIDRU-GOSISDBHSA-N 1 0 337.423 2.352 50 0 EEAARO O=C(CCc1c[nH]c2ccccc12)N[C@@H]1COC2(C1)CC[NH2+]CC2 ZINC000216496259 241197472 /nfs/dbraw/zinc/19/74/72/241197472.db2.gz WQLLVODWXIRMDS-HNNXBMFYSA-N 1 0 327.428 2.128 50 0 EEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCc1ccccc1Cl ZINC000426412216 241279227 /nfs/dbraw/zinc/27/92/27/241279227.db2.gz HUMWSCIAIMAWRI-HNNXBMFYSA-N 1 0 346.862 2.362 50 0 EEAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CC(c2ccc(OC)cc2)=NO1 ZINC000021778796 212248314 /nfs/dbraw/zinc/24/83/14/212248314.db2.gz WECYUZVONSCXOW-KRWDZBQOSA-N 1 0 333.432 2.036 50 0 EEAARO CCc1ccc(N2CC[C@H](C(=O)NCCC[NH+]3CCCC3)C2=O)cc1 ZINC000021642733 212235919 /nfs/dbraw/zinc/23/59/19/212235919.db2.gz VZQCAPVAZYJRCV-GOSISDBHSA-N 1 0 343.471 2.204 50 0 EEAARO CCc1nnc(NC(=O)CC[N@H+](C)Cc2ccc3nonc3c2)s1 ZINC000244619951 243045018 /nfs/dbraw/zinc/04/50/18/243045018.db2.gz FJBJOFXOUORTFN-UHFFFAOYSA-N 1 0 346.416 2.097 50 0 EEAARO C[NH+]1CCN(CCCN2C(=O)CS[C@H]2c2ccc(F)cc2)CC1 ZINC000019790321 212067644 /nfs/dbraw/zinc/06/76/44/212067644.db2.gz WHUNKNZDNBFZAG-KRWDZBQOSA-N 1 0 337.464 2.037 50 0 EEAARO OCC[C@H]1CN(Cc2cccc3nccnc23)CC[N@@H+]1C1CCCC1 ZINC000019222413 212006326 /nfs/dbraw/zinc/00/63/26/212006326.db2.gz WSJSYGNTGJWLOR-SFHVURJKSA-N 1 0 340.471 2.441 50 0 EEAARO CN1CCC([NH+]2CCC(n3ccnc3-c3ccc(CO)o3)CC2)CC1 ZINC000082087464 217461540 /nfs/dbraw/zinc/46/15/40/217461540.db2.gz QMIRGKPGRNGSIB-UHFFFAOYSA-N 1 0 344.459 2.367 50 0 EEAARO CCCCN(C)C(=O)c1nc2ccccn2c1C[N@@H+]1CCC[C@H]1CO ZINC000012432756 211379634 /nfs/dbraw/zinc/37/96/34/211379634.db2.gz HFEZZILNVQBMTD-HNNXBMFYSA-N 1 0 344.459 2.163 50 0 EEAARO COC(=O)CCC(=O)N(CCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000012373418 211358716 /nfs/dbraw/zinc/35/87/16/211358716.db2.gz JZKKHUGTHRQJSP-SFHVURJKSA-N 1 0 346.471 2.353 50 0 EEAARO C[NH+](C)[C@@H](CNC(=O)Cc1cccs1)c1ccc2c(c1)OCO2 ZINC000012196225 211317805 /nfs/dbraw/zinc/31/78/05/211317805.db2.gz CQRAUJIZZBFPAO-AWEZNQCLSA-N 1 0 332.425 2.438 50 0 EEAARO CC(C)CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012003326 211280247 /nfs/dbraw/zinc/28/02/47/211280247.db2.gz ZZDVWGNLRWLHAJ-QGZVFWFLSA-N 1 0 349.519 2.214 50 0 EEAARO C[NH+](C)C[C@@H]1CN(Cc2nc(-c3ccccc3)cs2)C[C@@H]1CO ZINC000091411251 218001838 /nfs/dbraw/zinc/00/18/38/218001838.db2.gz VFVJAKUWCHEQTC-HZPDHXFCSA-N 1 0 331.485 2.412 50 0 EEAARO Cc1cccc(CN2CCC[C@](O)(C[NH2+]Cc3cccnc3)C2=O)c1 ZINC000011816633 211250664 /nfs/dbraw/zinc/25/06/64/211250664.db2.gz HLVGWKYCFXTSQT-FQEVSTJZSA-N 1 0 339.439 2.033 50 0 EEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1c[nH]c3ccccc13)C2 ZINC000091645151 218039003 /nfs/dbraw/zinc/03/90/03/218039003.db2.gz OIKGUFREHQMQLS-NVXWUHKLSA-N 1 0 341.455 2.280 50 0 EEAARO CC(C)[C@@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccc(F)cc1 ZINC000011770102 211246116 /nfs/dbraw/zinc/24/61/16/211246116.db2.gz XBKYDYMRTYPNKT-OAHLLOKOSA-N 1 0 349.435 2.386 50 0 EEAARO CCc1ccccc1NC(=O)N1CC[N@H+](C)[C@@]2(C1)CCNC(=O)CC2 ZINC000092078476 218116829 /nfs/dbraw/zinc/11/68/29/218116829.db2.gz OJRHZUBZIVCEPP-LJQANCHMSA-N 1 0 344.459 2.067 50 0 EEAARO CC(=O)c1c(C)[nH]c(C(=O)CSC2=NNC(=C3C=CC=[NH+]3)O2)c1C ZINC000008761859 211000439 /nfs/dbraw/zinc/00/04/39/211000439.db2.gz PESZWMQHGYCFKP-PTNGSMBKSA-N 1 0 344.396 2.451 50 0 EEAARO Cc1nn(C)c2nc(NC3CC[NH+](C[C@H]4CCCO4)CC3)sc12 ZINC000096160333 218635394 /nfs/dbraw/zinc/63/53/94/218635394.db2.gz HYKLCSMAXFKDCY-CYBMUJFWSA-N 1 0 335.477 2.394 50 0 EEAARO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000112549230 220346353 /nfs/dbraw/zinc/34/63/53/220346353.db2.gz SECDAANXJDTIMQ-HZMBPMFUSA-N 1 0 333.823 2.172 50 0 EEAARO COc1ccc(-c2ccccc2)cc1NC(=O)NC[C@@]1(O)CC[NH2+]C1 ZINC000299778025 258087730 /nfs/dbraw/zinc/08/77/30/258087730.db2.gz OAMBFZFYNKFFJD-LJQANCHMSA-N 1 0 341.411 2.208 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cccc(-n4cccn4)c3)[C@H]1C[C@@H](O)CC2 ZINC000299780054 258088774 /nfs/dbraw/zinc/08/87/74/258088774.db2.gz LZACFBKNUNIIEC-GBESFXJTSA-N 1 0 327.428 2.377 50 0 EEAARO C[C@@H]1CN(CC(=O)N(C)CCn2ccc3ccccc32)C[C@H](C)O1 ZINC000299785905 258092861 /nfs/dbraw/zinc/09/28/61/258092861.db2.gz SDISHXMXUHMNSC-IYBDPMFKSA-N 1 0 329.444 2.209 50 0 EEAARO Cc1cc(=O)cc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3C)C2)o1 ZINC000299792801 258098073 /nfs/dbraw/zinc/09/80/73/258098073.db2.gz GZDPEGHXBWAFGM-INIZCTEOSA-N 1 0 340.423 2.476 50 0 EEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(OC(F)F)cc1 ZINC000299798798 258102534 /nfs/dbraw/zinc/10/25/34/258102534.db2.gz URDXAWUDDRBBIH-KBPBESRZSA-N 1 0 328.359 2.125 50 0 EEAARO O=C(N[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2c(c1)OCO2 ZINC000374913479 167066735 /nfs/dbraw/zinc/06/67/35/167066735.db2.gz LNCQNWHXDYFPSM-HZPDHXFCSA-N 1 0 342.370 2.430 50 0 EEAARO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1c1ccccc1 ZINC000123633685 222308086 /nfs/dbraw/zinc/30/80/86/222308086.db2.gz STIUWVDFJPOFOY-USXIJHARSA-N 1 0 336.501 2.440 50 0 EEAARO O=C(NC1CC[NH+](C2CC2)CC1)c1ccc2c(c1)NC(=O)CCS2 ZINC000029091280 274979849 /nfs/dbraw/zinc/97/98/49/274979849.db2.gz HNIBGSQVDQJQFV-UHFFFAOYSA-N 1 0 345.468 2.478 50 0 EEAARO CC[NH+]1CCN(c2nc3sc4c(c3c3ncnn32)CCCC4)CC1 ZINC000005560927 276203927 /nfs/dbraw/zinc/20/39/27/276203927.db2.gz JLVMERYVYMQZGF-UHFFFAOYSA-N 1 0 342.472 2.360 50 0 EEAARO COc1ccccc1Cn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000077506192 277468684 /nfs/dbraw/zinc/46/86/84/277468684.db2.gz FKMAFJLBVXSCJN-UHFFFAOYSA-N 1 0 327.409 2.161 50 0 EEAARO COc1ccc(F)c(F)c1CN1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1 ZINC000092096795 277905410 /nfs/dbraw/zinc/90/54/10/277905410.db2.gz NNVHEDDLJAUNNM-ZIAGYGMSSA-N 1 0 340.414 2.110 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000065396941 279027295 /nfs/dbraw/zinc/02/72/95/279027295.db2.gz XNDCFIOAQLVEDD-AWEZNQCLSA-N 1 0 345.472 2.386 50 0 EEAARO CCc1n(C)c2ccccc2[n+]1C[C@@H](O)COc1ccc(OC)cc1 ZINC000000098672 462541961 /nfs/dbraw/zinc/54/19/61/462541961.db2.gz 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O=C(c1ccnc(Cl)c1)N1CCCC[C@@H]1C1=CCC[N@@H+](CCO)C1 ZINC000065505194 462783512 /nfs/dbraw/zinc/78/35/12/462783512.db2.gz MIWSNGAJYYLNFA-MRXNPFEDSA-N 1 0 349.862 2.354 50 0 EEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)c2sccc2N)CC1 ZINC000091306253 462871886 /nfs/dbraw/zinc/87/18/86/462871886.db2.gz RGNGACAZPMEVFG-UHFFFAOYSA-N 1 0 347.488 2.108 50 0 EEAARO C[NH+](C)[C@@H]1CCN(CC(=O)N2CCC(Cc3ccc(F)cc3)CC2)C1 ZINC000091620725 462891952 /nfs/dbraw/zinc/89/19/52/462891952.db2.gz QKUJPOKAIRREQK-LJQANCHMSA-N 1 0 347.478 2.243 50 0 EEAARO COc1ccc(S(=O)(=O)NCCC[NH+]2CCCCCC2)cc1 ZINC000013613888 462897560 /nfs/dbraw/zinc/89/75/60/462897560.db2.gz UMOQXZIOYSNLFM-UHFFFAOYSA-N 1 0 326.462 2.240 50 0 EEAARO CC[C@H]1CN(C(=O)c2cc(C(F)(F)F)nn2C)CC[N@@H+]1C(C)C ZINC000092099899 462927196 /nfs/dbraw/zinc/92/71/96/462927196.db2.gz GUZWJOXKJBPYOO-NSHDSACASA-N 1 0 332.370 2.384 50 0 EEAARO CC[NH2+]CC[C@H]1CCC(=O)N1Cc1cnn(-c2ccccc2OC)c1 ZINC000014999510 462937513 /nfs/dbraw/zinc/93/75/13/462937513.db2.gz 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463101342 /nfs/dbraw/zinc/10/13/42/463101342.db2.gz FETNUTFKHKVING-CQSZACIVSA-N 1 0 348.495 2.039 50 0 EEAARO CN(CCCC[NH+]1CCOCC1)c1nccc(-c2cccnc2)n1 ZINC000096150116 463187505 /nfs/dbraw/zinc/18/75/05/463187505.db2.gz BMLSSYHDYTUHTA-UHFFFAOYSA-N 1 0 327.432 2.087 50 0 EEAARO O=C(NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(=O)[nH]n1 ZINC000027343670 463188855 /nfs/dbraw/zinc/18/88/55/463188855.db2.gz MHBWFNITVWMVEO-HNNXBMFYSA-N 1 0 346.818 2.403 50 0 EEAARO O=C1O[C@@H]2CN(Cc3ccc(F)cc3)C[C@@H]2N1CC[NH+]1CCCCC1 ZINC000055054226 463280355 /nfs/dbraw/zinc/28/03/55/463280355.db2.gz HNIOIYNBCPBAKU-ZWKOTPCHSA-N 1 0 347.434 2.317 50 0 EEAARO Cn1cc(C2CC[NH+](C[C@H](O)COCc3cccs3)CC2)cn1 ZINC000097200426 463345358 /nfs/dbraw/zinc/34/53/58/463345358.db2.gz KGOYRAFOQJUARV-INIZCTEOSA-N 1 0 335.473 2.239 50 0 EEAARO C[NH+](C)[C@@H]1C[C@@H](CO)N(C(=O)Nc2ccc(OC(F)(F)F)cc2)C1 ZINC000097217373 463349556 /nfs/dbraw/zinc/34/95/56/463349556.db2.gz BJAPNCVIVXEZBO-NEPJUHHUSA-N 1 0 347.337 2.114 50 0 EEAARO COc1cccc([C@H](CNc2cc(C)nc3ncnn32)[NH+](C)C)c1 ZINC000032534036 463380138 /nfs/dbraw/zinc/38/01/38/463380138.db2.gz XKNDJPVXPKMTLY-HNNXBMFYSA-N 1 0 326.404 2.156 50 0 EEAARO Cc1cccc2nc(C(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)c(F)n21 ZINC000071278951 463412750 /nfs/dbraw/zinc/41/27/50/463412750.db2.gz MUTXMFAEHHCXBG-AWEZNQCLSA-N 1 0 332.423 2.490 50 0 EEAARO CC(C)[C@H]1CN(CC(=O)N(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071439609 463416149 /nfs/dbraw/zinc/41/61/49/463416149.db2.gz ZJXZLLIUMSOMSX-GOSISDBHSA-N 1 0 335.467 2.446 50 0 EEAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(Cl)ccc1OC ZINC000033829460 463425903 /nfs/dbraw/zinc/42/59/03/463425903.db2.gz UOKSDUWXPICEBF-UHFFFAOYSA-N 1 0 334.869 2.359 50 0 EEAARO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)NC(=O)c2cccs2)C1 ZINC000106161326 463507130 /nfs/dbraw/zinc/50/71/30/463507130.db2.gz LUKUVNQVXKRAHO-KBPBESRZSA-N 1 0 337.489 2.103 50 0 EEAARO Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CN(C3CC3)CCO2)c1 ZINC000106380018 463512915 /nfs/dbraw/zinc/51/29/15/463512915.db2.gz RXBSFIZNIBBOBH-SFHVURJKSA-N 1 0 326.444 2.338 50 0 EEAARO CCC[C@@H]1C[N@H+](CCc2nc3cc(F)ccc3[nH]2)C[C@H]1NC(C)=O ZINC000082107965 463514138 /nfs/dbraw/zinc/51/41/38/463514138.db2.gz VZKFDJIAZCZIGP-CXAGYDPISA-N 1 0 332.423 2.481 50 0 EEAARO CCc1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)o1 ZINC000082161764 463520203 /nfs/dbraw/zinc/52/02/03/463520203.db2.gz PODYYXXGGZCXQQ-LJQANCHMSA-N 1 0 334.460 2.429 50 0 EEAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)C(C)C)CC2)[nH+]1 ZINC000082230659 463521765 /nfs/dbraw/zinc/52/17/65/463521765.db2.gz MCKIIQRFILEFLJ-UHFFFAOYSA-N 1 0 331.464 2.080 50 0 EEAARO C[N@@H+]1CCN(Cc2nccs2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000107401822 463569972 /nfs/dbraw/zinc/56/99/72/463569972.db2.gz BFIGVEONEGZKHB-GOSISDBHSA-N 1 0 348.516 2.052 50 0 EEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000109040319 463631345 /nfs/dbraw/zinc/63/13/45/463631345.db2.gz KDZUSEYYCPQEMA-WDEREUQCSA-N 1 0 336.379 2.453 50 0 EEAARO CC[C@H](NC(=O)CSCC[NH+]1CCCC1)c1cn2cccnc2n1 ZINC000221314241 464122106 /nfs/dbraw/zinc/12/21/06/464122106.db2.gz PPKDSFQQAJWJAY-AWEZNQCLSA-N 1 0 347.488 2.126 50 0 EEAARO C[NH+]1CCC(CNC(=O)CCCn2ccnc2)(c2ccccc2)CC1 ZINC000222768177 464133618 /nfs/dbraw/zinc/13/36/18/464133618.db2.gz WAFWJRNEKZGVKB-UHFFFAOYSA-N 1 0 340.471 2.443 50 0 EEAARO CN(CCSc1ccccc1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000223528152 464143201 /nfs/dbraw/zinc/14/32/01/464143201.db2.gz AMZQDMSPGSRVTO-UHFFFAOYSA-N 1 0 329.473 2.492 50 0 EEAARO C[C@@H](NC1CC[NH+](CCc2ccccc2)CC1)c1nnc(N)s1 ZINC000584891749 468956391 /nfs/dbraw/zinc/95/63/91/468956391.db2.gz GPHGRJAJZSTFKM-CYBMUJFWSA-N 1 0 331.489 2.478 50 0 EEAARO Cc1cc(C)c(CNC(=O)N2CCC([NH+]3CCSCC3)CC2)cn1 ZINC000584890609 468956521 /nfs/dbraw/zinc/95/65/21/468956521.db2.gz UXAIPHKDELYBLT-UHFFFAOYSA-N 1 0 348.516 2.421 50 0 EEAARO CC(C)(C)[N@@H+]1CC[C@H](CNC(=O)N(CCO)Cc2cccs2)C1 ZINC000584890970 468956723 /nfs/dbraw/zinc/95/67/23/468956723.db2.gz WCVVLMHIPJHNHU-CQSZACIVSA-N 1 0 339.505 2.372 50 0 EEAARO CC[NH+](CC)CCNC(=O)c1ccc(NCc2ccc(=O)[nH]c2)cc1 ZINC000585139104 468989071 /nfs/dbraw/zinc/98/90/71/468989071.db2.gz MMFRADGAVVMESG-UHFFFAOYSA-N 1 0 342.443 2.471 50 0 EEAARO COc1ccc(Oc2ccc(NC(=O)[C@H](N)CC[NH+](C)C)cn2)cc1 ZINC000653122154 471498689 /nfs/dbraw/zinc/49/86/89/471498689.db2.gz OGAAZICWQPWKNS-MRXNPFEDSA-N 1 0 344.415 2.100 50 0 EEAARO NC(=O)c1ccc(OCCC[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000670460745 485652074 /nfs/dbraw/zinc/65/20/74/485652074.db2.gz UZWFPAHTQRZHHF-UHFFFAOYSA-N 1 0 326.396 2.449 50 0 EEAARO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)nc(N)n1 ZINC000012479513 1194627731 /nfs/dbraw/zinc/62/77/31/1194627731.db2.gz XSQWQOODQONBAC-OAHLLOKOSA-N 1 0 331.464 2.142 50 0 EEAARO Cn1nc(C(=O)NCc2ccccc2F)c2c1CC[C@H]([NH2+]C1CC1)C2 ZINC000014740700 1225933081 /nfs/dbraw/zinc/93/30/81/1225933081.db2.gz SUGKCXWDDIPMTH-AWEZNQCLSA-N 1 0 342.418 2.099 50 0 EEAARO COc1ccccc1OC1CC[NH+](C[C@@H]2CCC(=O)N(C)C2)CC1 ZINC001772814583 1410371635 /nfs/dbraw/zinc/37/16/35/1410371635.db2.gz 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ZINC001529095266 1121309746 /nfs/dbraw/zinc/30/97/46/1121309746.db2.gz QXDYCALTWUSQLQ-UZLBHIALSA-N 1 0 325.456 2.476 50 0 EEAARO Cc1ccc(CN2CCCN(C(=O)C3(C)CC[NH+](C)CC3)CC2)o1 ZINC001529110790 1121320133 /nfs/dbraw/zinc/32/01/33/1121320133.db2.gz PADPTJQRPXZIOR-UHFFFAOYSA-N 1 0 333.476 2.354 50 0 EEAARO Cc1ccc(C(=O)Nc2nnc(CC[NH+](C)C)s2)c(F)c1F ZINC001529113384 1121322317 /nfs/dbraw/zinc/32/23/17/1121322317.db2.gz XSQFHLXTYUUQQJ-UHFFFAOYSA-N 1 0 326.372 2.481 50 0 EEAARO Cc1cccc(OCC(=O)Nc2nnc(CC[NH+](C)C)s2)c1C ZINC001529126087 1121328393 /nfs/dbraw/zinc/32/83/93/1121328393.db2.gz XGOQDKMNIQPYBY-UHFFFAOYSA-N 1 0 334.445 2.277 50 0 EEAARO COc1ccc(/C=C/C[N@H+]2C[C@@H](Cc3cc(C)n[nH]3)[C@H](O)C2)cc1 ZINC001529184707 1121359992 /nfs/dbraw/zinc/35/99/92/1121359992.db2.gz DUZYKEVIMWEGRI-HLPXUMPJSA-N 1 0 327.428 2.275 50 0 EEAARO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2)C[C@@H](C)CO)n1 ZINC000055072869 214269610 /nfs/dbraw/zinc/26/96/10/214269610.db2.gz UWZDDWSXEGKCOU-OAHLLOKOSA-N 1 0 328.412 2.499 50 0 EEAARO CCOc1ccc(CN2CCCO[C@H](C[NH+]3CCCC3)C2)cc1CO ZINC000097743545 219053941 /nfs/dbraw/zinc/05/39/41/219053941.db2.gz LHBZWZDYBBYMTO-LJQANCHMSA-N 1 0 348.487 2.264 50 0 EEAARO Cn1c(CO)nnc1[C@@H]1CCC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000097823439 219058590 /nfs/dbraw/zinc/05/85/90/219058590.db2.gz CPLIOGQSLKFZAP-CQSZACIVSA-N 1 0 326.400 2.433 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)c1cccc(C(F)(F)F)c1 ZINC000003454150 210044597 /nfs/dbraw/zinc/04/45/97/210044597.db2.gz VHKOATVHXIHUHT-GFCCVEGCSA-N 1 0 336.379 2.468 50 0 EEAARO C[C@H]1C[C@H](C)C[NH+](CCOc2cccc(CNN3CCOCC3)c2)C1 ZINC000067603734 215168097 /nfs/dbraw/zinc/16/80/97/215168097.db2.gz HWQVMCYYPUDTHD-ROUUACIJSA-N 1 0 347.503 2.380 50 0 EEAARO CC(C)CC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2ccccn2)C1=O ZINC000067712812 215191338 /nfs/dbraw/zinc/19/13/38/215191338.db2.gz VIQOVXGONIUEFI-IBGZPJMESA-N 1 0 344.459 2.308 50 0 EEAARO CCN(CC)c1cc(N2Cc3cnc(CC(C)C)nc3C2)nc(N)n1 ZINC000067725896 215196667 /nfs/dbraw/zinc/19/66/67/215196667.db2.gz 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Cn1c(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cc2cc(F)ccc21 ZINC000215698455 241139412 /nfs/dbraw/zinc/13/94/12/241139412.db2.gz MYSOWKBUOKJIIT-OALUTQOASA-N 1 0 331.435 2.348 50 0 EEAARO Cc1ncsc1CC[N@@H+](C)Cc1cnc(N2CCOCC2)s1 ZINC000215596194 241134736 /nfs/dbraw/zinc/13/47/36/241134736.db2.gz WTMSOQRDEOCJDQ-UHFFFAOYSA-N 1 0 338.502 2.419 50 0 EEAARO CC[C@H](c1cccnc1)N(C)C(=O)NCCNc1cc[nH+]cc1C ZINC000426411543 241280229 /nfs/dbraw/zinc/28/02/29/241280229.db2.gz SMRJERAFQOIKNG-QGZVFWFLSA-N 1 0 327.432 2.412 50 0 EEAARO Cc1nccn1-c1ccc(CNC(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000426428359 241285270 /nfs/dbraw/zinc/28/52/70/241285270.db2.gz QKYBLWAUGJTQQO-UHFFFAOYSA-N 1 0 327.432 2.028 50 0 EEAARO CN(CC1(C)COC1)C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426501685 241298947 /nfs/dbraw/zinc/29/89/47/241298947.db2.gz BHGGEHNMENYDPI-KRWDZBQOSA-N 1 0 331.460 2.186 50 0 EEAARO CC[NH+]1CCN(CCCNc2nc(-c3ccccc3F)no2)CC1 ZINC000020996775 212195599 /nfs/dbraw/zinc/19/55/99/212195599.db2.gz GRJCCYKNZFFCQD-UHFFFAOYSA-N 1 0 333.411 2.315 50 0 EEAARO CC(C)(CN1CCOCC1)[NH2+]C[C@]1(c2cccc(F)c2)CCOC1 ZINC000019938941 212087018 /nfs/dbraw/zinc/08/70/18/212087018.db2.gz WRSCMHPXPBGGGP-LJQANCHMSA-N 1 0 336.451 2.184 50 0 EEAARO Cc1cc(NC(=O)CC[NH+]2CCN(C)CC2)ccc1Br ZINC000019570491 212044171 /nfs/dbraw/zinc/04/41/71/212044171.db2.gz LZESCBYVXACSSK-UHFFFAOYSA-N 1 0 340.265 2.334 50 0 EEAARO O=C(CCN1CCCO1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012429701 211377651 /nfs/dbraw/zinc/37/76/51/211377651.db2.gz JBAPXNDQANUVKD-IBGZPJMESA-N 1 0 345.487 2.227 50 0 EEAARO COC[C@@H]1CCC[N@H+](Cc2nc(-c3ccc4c(c3)OCO4)no2)C1 ZINC000012297519 211335412 /nfs/dbraw/zinc/33/54/12/211335412.db2.gz GNFZFPPAYBBTSJ-GFCCVEGCSA-N 1 0 331.372 2.324 50 0 EEAARO [NH3+][C@H](C(=O)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1)C1CC1 ZINC000091270446 217988777 /nfs/dbraw/zinc/98/87/77/217988777.db2.gz WGFRKBQBNUYNGS-FQEVSTJZSA-N 1 0 349.434 2.266 50 0 EEAARO COc1ccnc(C[N@@H+]2C[C@H](NC(=O)C(C)(C)OC)[C@@H](C(C)C)C2)c1 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2.120 50 0 EEAARO Cc1nnc(CCNC(=O)C2CC[NH+](Cc3ccco3)CC2)s1 ZINC000095390105 218321364 /nfs/dbraw/zinc/32/13/64/218321364.db2.gz DEVDWHVBFAGSSW-UHFFFAOYSA-N 1 0 334.445 2.010 50 0 EEAARO COc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1O ZINC000004951361 210337570 /nfs/dbraw/zinc/33/75/70/210337570.db2.gz ULHAKXHPFPFAKO-CABCVRRESA-N 1 0 326.396 2.182 50 0 EEAARO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000004834225 210292147 /nfs/dbraw/zinc/29/21/47/210292147.db2.gz SSMCHWBPSSRORC-CYBMUJFWSA-N 1 0 337.416 2.488 50 0 EEAARO Cc1[nH]c2ccc(F)cc2c1CC(=O)NCC[N@@H+]1CCCC[C@H]1CO ZINC000097570792 219035458 /nfs/dbraw/zinc/03/54/58/219035458.db2.gz UAVZDSKUEKLPEZ-HNNXBMFYSA-N 1 0 347.434 2.121 50 0 EEAARO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2cccnc2)CC1 ZINC000117948325 221102176 /nfs/dbraw/zinc/10/21/76/221102176.db2.gz KCEUBLNOKQELCR-UHFFFAOYSA-N 1 0 345.468 2.166 50 0 EEAARO CCOc1ccc(NC(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c(F)c1 ZINC000299780409 258089701 /nfs/dbraw/zinc/08/97/01/258089701.db2.gz NICOYFFBZAYPOX-ZDUSSCGKSA-N 1 0 339.411 2.266 50 0 EEAARO Cn1cc(C(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)c2ccccc21 ZINC000299791621 258097333 /nfs/dbraw/zinc/09/73/33/258097333.db2.gz HDNPPNLGFVFTGE-WMZOPIPTSA-N 1 0 327.428 2.161 50 0 EEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000299793007 258098092 /nfs/dbraw/zinc/09/80/92/258098092.db2.gz HRAXJEHSNWZXOC-HNNXBMFYSA-N 1 0 330.350 2.234 50 0 EEAARO Cc1ncn(C)c1C(=O)NCC[N@@H+]1CC[C@H](c2ccccc2C)C1 ZINC000299756218 258074853 /nfs/dbraw/zinc/07/48/53/258074853.db2.gz KAEYYFMXGMYIGM-INIZCTEOSA-N 1 0 326.444 2.256 50 0 EEAARO COc1cc(NC(=O)CCN2CC[N@@H+]3CCCC[C@@H]3C2)cc(OC)c1 ZINC000252489066 464964566 /nfs/dbraw/zinc/96/45/66/464964566.db2.gz JEFSQFYBAQYTGB-MRXNPFEDSA-N 1 0 347.459 2.203 50 0 EEAARO CC1CC[NH+](C(C)(C)CNC(=O)N[C@H](CO)Cc2ccccc2)CC1 ZINC000534656112 468270727 /nfs/dbraw/zinc/27/07/27/468270727.db2.gz DSVVATVUFQJYMI-SFHVURJKSA-N 1 0 347.503 2.400 50 0 EEAARO CCOC(=O)c1c2c(sc1NC(=O)NCCC[NH+](C)C)CCC2 ZINC000006669583 462696244 /nfs/dbraw/zinc/69/62/44/462696244.db2.gz LRNCMAWVJSPDGH-UHFFFAOYSA-N 1 0 339.461 2.487 50 0 EEAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000007910985 462757047 /nfs/dbraw/zinc/75/70/47/462757047.db2.gz RYPYNFZPZYYTNA-INIZCTEOSA-N 1 0 331.460 2.479 50 0 EEAARO Cc1ccc(C[NH+]2CCC(CNc3[nH]c(=O)nnc3C)CC2)cc1 ZINC000007996504 462761930 /nfs/dbraw/zinc/76/19/30/462761930.db2.gz FZXBAVAREYBYFT-UHFFFAOYSA-N 1 0 327.432 2.106 50 0 EEAARO Cc1cnc(N[C@@H]2CCC[N@H+](Cc3cccnc3)C2)nc1N(C)C ZINC000065394753 462762129 /nfs/dbraw/zinc/76/21/29/462762129.db2.gz BCRAVTICFYQMNL-MRXNPFEDSA-N 1 0 326.448 2.323 50 0 EEAARO Cc1cc(NC(=O)CN2CC[C@H](CNc3cc(C)cc[nH+]3)C2)on1 ZINC000065449369 462772805 /nfs/dbraw/zinc/77/28/05/462772805.db2.gz UFOGVBMAHDDWST-CQSZACIVSA-N 1 0 329.404 2.059 50 0 EEAARO Cc1cnc2c(C(=O)N(C)C[C@H]3Cc4ccccc4C[N@@H+]3C)cnn2c1 ZINC000065461513 462774926 /nfs/dbraw/zinc/77/49/26/462774926.db2.gz FEJZNURJADOANQ-QGZVFWFLSA-N 1 0 349.438 2.166 50 0 EEAARO O=C(NCc1cccc2ccccc21)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000065534999 462792838 /nfs/dbraw/zinc/79/28/38/462792838.db2.gz BOQRKIZSHGRZIM-HNNXBMFYSA-N 1 0 349.438 2.361 50 0 EEAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)Nc1ccc2c(c1)OCO2 ZINC000090608920 462802173 /nfs/dbraw/zinc/80/21/73/462802173.db2.gz YVGSOWHHZQVILN-ZDUSSCGKSA-N 1 0 337.445 2.316 50 0 EEAARO O=C(CCc1ccsc1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091391470 462876654 /nfs/dbraw/zinc/87/66/54/462876654.db2.gz HEIHDJCCGJYYJT-IAGOWNOFSA-N 1 0 336.501 2.234 50 0 EEAARO c1cc2nonc2c(C[N@H+]2CCCC[C@H]2CCN2CCOCC2)c1 ZINC000077406067 462980737 /nfs/dbraw/zinc/98/07/37/462980737.db2.gz XXSAANOMPLITFN-INIZCTEOSA-N 1 0 330.432 2.300 50 0 EEAARO Cn1ccnc1C(=O)[C@@H]1CCC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000077469843 462990377 /nfs/dbraw/zinc/99/03/77/462990377.db2.gz ILYMCOKOCWPKJN-CQSZACIVSA-N 1 0 327.432 2.126 50 0 EEAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccn2)nc1 ZINC000077566018 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C[NH+](C)C1(CNS(=O)(=O)N2CCCCCC2)CCCCCC1 ZINC000026957127 463179388 /nfs/dbraw/zinc/17/93/88/463179388.db2.gz ZRHDEKBDDXPJGN-UHFFFAOYSA-N 1 0 331.526 2.351 50 0 EEAARO O=C(c1ccc2c(c1)OCCO2)N1CCC([NH+]2CCSCC2)CC1 ZINC000096151845 463186926 /nfs/dbraw/zinc/18/69/26/463186926.db2.gz FVRUDOSQIJPBBI-UHFFFAOYSA-N 1 0 348.468 2.111 50 0 EEAARO CCCc1cc(C(=O)N2CC[NH+](C3CCSCC3)CC2)n(C)n1 ZINC000096163155 463191907 /nfs/dbraw/zinc/19/19/07/463191907.db2.gz ZJVISHDFKLANNE-UHFFFAOYSA-N 1 0 336.505 2.026 50 0 EEAARO CCN(CC)C(=O)[C@@H]1C[C@H](NC(=O)c2ccoc2)C[N@@H+]1C1CCCC1 ZINC000096166620 463193834 /nfs/dbraw/zinc/19/38/34/463193834.db2.gz RWDCVTSVDKTDON-RDJZCZTQSA-N 1 0 347.459 2.263 50 0 EEAARO COc1ccc(OC)c(C[NH2+]Cc2ccnc(N3CCOCC3)c2)c1 ZINC000030900341 463317016 /nfs/dbraw/zinc/31/70/16/463317016.db2.gz UWLPGRZWIIBNAZ-UHFFFAOYSA-N 1 0 343.427 2.225 50 0 EEAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1cc3c(cc1OC)C[C@H](C)O3)CC2 ZINC000097199509 463344422 /nfs/dbraw/zinc/34/44/22/463344422.db2.gz 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CCn1ccc2cc(C(=O)N3CC[C@@H](N4CC[NH+](C)CC4)C3)ccc21 ZINC000299780585 258089544 /nfs/dbraw/zinc/08/95/44/258089544.db2.gz ARHPXDHQJDMUMC-GOSISDBHSA-N 1 0 340.471 2.123 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cnc(-c4ccco4)nc3)[C@H]1C[C@@H](O)CC2 ZINC000299756874 258075151 /nfs/dbraw/zinc/07/51/51/258075151.db2.gz JOYSXILWZMIKRO-QILLFSRXSA-N 1 0 329.400 2.241 50 0 EEAARO CCOCCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106148162 276326900 /nfs/dbraw/zinc/32/69/00/276326900.db2.gz WEVWHQZXDRKNPZ-JFIYKMOQSA-N 1 0 334.460 2.380 50 0 EEAARO COc1cccc(OC[C@@H](O)C[n+]2c(C)n(C)c3ccccc32)c1 ZINC000000089080 462541834 /nfs/dbraw/zinc/54/18/34/462541834.db2.gz MIGSAJJPRHSFGO-HNNXBMFYSA-N 1 0 327.404 2.223 50 0 EEAARO O=C1N=C(c2cccnc2)NC12CC[NH+](CCCc1ccccc1)CC2 ZINC000063881891 462680824 /nfs/dbraw/zinc/68/08/24/462680824.db2.gz RUOCYHGIQMZLFS-UHFFFAOYSA-N 1 0 348.450 2.425 50 0 EEAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)CC(C)C)c1 ZINC000006701836 462698582 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CSCCC[NH+]1CCC2(CC1)C(=O)N(C)C(=O)N2CC(C)C ZINC000014538977 462928987 /nfs/dbraw/zinc/92/89/87/462928987.db2.gz ISKRDGLTEINDML-UHFFFAOYSA-N 1 0 327.494 2.124 50 0 EEAARO COC(=O)CCCC(=O)N(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000014947929 462935206 /nfs/dbraw/zinc/93/52/06/462935206.db2.gz RQLOCHXVKFITOP-SFHVURJKSA-N 1 0 346.471 2.495 50 0 EEAARO O=C1N(Cc2cccc(F)c2F)CCC[C@@]1(O)C[NH2+]C1CCCC1 ZINC000015070620 462940973 /nfs/dbraw/zinc/94/09/73/462940973.db2.gz FXVJYQJHJAJVPL-GOSISDBHSA-N 1 0 338.398 2.351 50 0 EEAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)Nc3ccccc3)CC2)[nH+]1 ZINC000015825083 462964358 /nfs/dbraw/zinc/96/43/58/462964358.db2.gz IJZXVZWNPWUCRC-UHFFFAOYSA-N 1 0 340.431 2.205 50 0 EEAARO CCN1CCN(C(=O)C2CC[NH+](Cc3cccc(C)c3)CC2)CC1 ZINC000016607287 462984823 /nfs/dbraw/zinc/98/48/23/462984823.db2.gz YYHPQAUGLCPETI-UHFFFAOYSA-N 1 0 329.488 2.371 50 0 EEAARO NC(=O)c1csc(N2CCC([N@@H+]3CCc4ccccc4C3)CC2)n1 ZINC000077519105 462998541 /nfs/dbraw/zinc/99/85/41/462998541.db2.gz 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C[C@H]1CCC[N@H+](CCCNC(=O)c2ccc(N3CCOCC3)cc2)C1 ZINC000058420100 463596035 /nfs/dbraw/zinc/59/60/35/463596035.db2.gz XFSIOHCFDIVKMJ-KRWDZBQOSA-N 1 0 345.487 2.375 50 0 EEAARO C[N@@H+]1CCC[C@@H](CNCc2ccccc2OCC(=O)N2CCCC2)C1 ZINC000108428483 463603172 /nfs/dbraw/zinc/60/31/72/463603172.db2.gz XWTMWCKNASWIFO-KRWDZBQOSA-N 1 0 345.487 2.119 50 0 EEAARO COc1ccc([C@H]2CCN(C(=O)C[N@H+](C)[C@H]3CCSC3)C2)cc1 ZINC000108460753 463604790 /nfs/dbraw/zinc/60/47/90/463604790.db2.gz KAEOKIQMOXSOPV-HOTGVXAUSA-N 1 0 334.485 2.448 50 0 EEAARO COc1ccccc1OCC[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520572 464069845 /nfs/dbraw/zinc/06/98/45/464069845.db2.gz HXVQSOVKHTWKJX-HNNXBMFYSA-N 1 0 342.443 2.491 50 0 EEAARO CCCOc1ccccc1C(=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000219828742 464110652 /nfs/dbraw/zinc/11/06/52/464110652.db2.gz SAVJUESARYMCOE-IRXDYDNUSA-N 1 0 332.444 2.147 50 0 EEAARO Cc1cc(-n2cccn2)ccc1C[N@@H+]1CCCn2nc(CO)cc2C1 ZINC000220047153 464113994 /nfs/dbraw/zinc/11/39/94/464113994.db2.gz 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CCCOc1cn(-c2ccc(F)cc2)nc1C(=O)NCC[NH+](C)C ZINC000011694389 211237135 /nfs/dbraw/zinc/23/71/35/211237135.db2.gz XNIBSQGTDJONBO-UHFFFAOYSA-N 1 0 334.395 2.092 50 0 EEAARO O=C(CCCc1cn[nH]c1)N[C@H]1C[N@H+](CC2CCC2)C[C@@H]1C1CC1 ZINC000091644578 218038191 /nfs/dbraw/zinc/03/81/91/218038191.db2.gz BOEQHROIVRXGRT-MSOLQXFVSA-N 1 0 330.476 2.359 50 0 EEAARO C[NH+]1CCN(CCCN2C[C@@](C)(c3ccccc3)CCC2=O)CC1 ZINC000091646102 218039792 /nfs/dbraw/zinc/03/97/92/218039792.db2.gz KJCAJOCNJHGZGA-FQEVSTJZSA-N 1 0 329.488 2.204 50 0 EEAARO OC[C@H]1C[N@H+](Cc2cc3ccccc3s2)C[C@H]1CN1CCOCC1 ZINC000091656432 218040580 /nfs/dbraw/zinc/04/05/80/218040580.db2.gz DQTWKTYIAWWISW-IAGOWNOFSA-N 1 0 346.496 2.274 50 0 EEAARO COc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)c(OC)c1C ZINC000091779127 218064621 /nfs/dbraw/zinc/06/46/21/218064621.db2.gz GJUGBJDNRREOPB-DOTOQJQBSA-N 1 0 332.444 2.455 50 0 EEAARO COc1ccc(Cl)cc1S(=O)(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000091849071 218077147 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C[NH+](C)CCOc1cccc(CN2CCN(C3CCCC3)C(=O)C2)c1 ZINC000097514460 219032086 /nfs/dbraw/zinc/03/20/86/219032086.db2.gz PCSMSTPEMOWTTN-UHFFFAOYSA-N 1 0 345.487 2.214 50 0 EEAARO Cc1ncn(C)c1C(=O)NCC1CC[NH+](CCc2ccccc2)CC1 ZINC000299791387 258096694 /nfs/dbraw/zinc/09/66/94/258096694.db2.gz FBZYOCNVAJICNE-UHFFFAOYSA-N 1 0 340.471 2.413 50 0 EEAARO O=C(NCCc1cnccn1)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299792131 258097375 /nfs/dbraw/zinc/09/73/75/258097375.db2.gz FHSAHIQTLPIBMB-OTWHNJEPSA-N 1 0 336.439 2.361 50 0 EEAARO O=S(=O)(NC1CC[NH2+]CC1)c1cc(C(F)(F)F)ccc1Cl ZINC000036285981 296459146 /nfs/dbraw/zinc/45/91/46/296459146.db2.gz VVFIEUYDVPGOBW-UHFFFAOYSA-N 1 0 342.770 2.389 50 0 EEAARO C[C@H](O)C[NH+]1CCC2(CC(=O)N(Cc3cc(F)cc(F)c3)C2)CC1 ZINC000095508399 274534321 /nfs/dbraw/zinc/53/43/21/274534321.db2.gz ADJWFCLROAWVNG-ZDUSSCGKSA-N 1 0 338.398 2.160 50 0 EEAARO Cn1nc(-c2ccccn2)c2c1NC(=O)C[C@H]2[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244748806 294499003 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COc1cccc(CCNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(N(C)C)n2)c1 ZINC000244748497 243074303 /nfs/dbraw/zinc/07/43/03/243074303.db2.gz OIQOSQKXZVNEGD-GASCZTMLSA-N 1 0 341.459 2.411 50 0 EEAARO C[N@H+](CCc1ccccn1)[C@H]1CCCN(Cc2ccc(CO)o2)C1 ZINC000020773766 212170247 /nfs/dbraw/zinc/17/02/47/212170247.db2.gz NJCZOKFORCVVDU-KRWDZBQOSA-N 1 0 329.444 2.306 50 0 EEAARO O=c1cc(CN2CCN([C@@H]3CC[NH2+]C3)CC2)[nH]c2ccc(Cl)cc12 ZINC000253536023 244012312 /nfs/dbraw/zinc/01/23/12/244012312.db2.gz CYOVMKJLYRFGIE-OAHLLOKOSA-N 1 0 346.862 2.073 50 0 EEAARO COc1ccc(-c2cc3n(n2)[C@@H]([NH2+]C2CCCC2)CNC3=O)cc1 ZINC000263619205 245464342 /nfs/dbraw/zinc/46/43/42/245464342.db2.gz XLMHVENRCDSXPN-QGZVFWFLSA-N 1 0 326.400 2.333 50 0 EEAARO Cc1nonc1CC(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1 ZINC000012455707 211387113 /nfs/dbraw/zinc/38/71/13/211387113.db2.gz DRMLUDZRINWWOK-MRXNPFEDSA-N 1 0 328.416 2.044 50 0 EEAARO COc1ccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000012196158 211317208 /nfs/dbraw/zinc/31/72/08/211317208.db2.gz ZOXFCLIHSJHVGA-MRXNPFEDSA-N 1 0 342.395 2.457 50 0 biogenic EEAARO Cc1nc(C)c(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)nc1C ZINC000012072453 211285728 /nfs/dbraw/zinc/28/57/28/211285728.db2.gz QCRLPCYAXFJZTG-RTBURBONSA-N 1 0 332.492 2.213 50 0 EEAARO C[NH+](C)Cc1ccccc1CNC(=O)c1ccc(Cn2cncn2)cc1 ZINC000011713007 211239812 /nfs/dbraw/zinc/23/98/12/211239812.db2.gz CFGISYVJVKUGTQ-UHFFFAOYSA-N 1 0 349.438 2.318 50 0 EEAARO C[C@H](C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1)c1ccccc1 ZINC000091635679 218037067 /nfs/dbraw/zinc/03/70/67/218037067.db2.gz JMTOEMJZZQBWRM-QGZVFWFLSA-N 1 0 330.472 2.487 50 0 EEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)NCCc1cccs1)C2 ZINC000091663852 218043604 /nfs/dbraw/zinc/04/36/04/218043604.db2.gz YWORCYOWXNDZBG-HUUCEWRRSA-N 1 0 337.489 2.043 50 0 EEAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2noc(Cc3ccccc3)n2)C1 ZINC000091737887 218056020 /nfs/dbraw/zinc/05/60/20/218056020.db2.gz OVNFBPZIFOECFV-MRXNPFEDSA-N 1 0 342.443 2.399 50 0 EEAARO COCC(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1ccc(F)c(F)c1)C2 ZINC000011662346 211230520 /nfs/dbraw/zinc/23/05/20/211230520.db2.gz VONXXNZPQAWZMM-GOSISDBHSA-N 1 0 338.398 2.426 50 0 EEAARO CCN1CC[C@]2(C[N@@H+](C3Cc4ccccc4C3)CCN2C)CCC1=O ZINC000092004157 218103160 /nfs/dbraw/zinc/10/31/60/218103160.db2.gz QLPGDIIEWLPZHL-NRFANRHFSA-N 1 0 341.499 2.172 50 0 EEAARO O=C(N[C@@H]1c2ccccc2C[C@@H]1O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095360547 218292790 /nfs/dbraw/zinc/29/27/90/218292790.db2.gz CNUOCDFSWHBRMD-RBUKOAKNSA-N 1 0 340.423 2.266 50 0 EEAARO O=C(c1cccc(Cl)c1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008971119 211024530 /nfs/dbraw/zinc/02/45/30/211024530.db2.gz GZJSKBVAWLQLQZ-UHFFFAOYSA-N 1 0 330.819 2.340 50 0 EEAARO O=C(Cn1cccc1C(=O)c1ccccc1)NCCC[NH+]1CCCC1 ZINC000005142479 210398744 /nfs/dbraw/zinc/39/87/44/210398744.db2.gz IXSIYFZPAAXPRY-UHFFFAOYSA-N 1 0 339.439 2.321 50 0 EEAARO COCCC[N@@H+](Cc1cccn1C)C[C@@H](O)COCc1ccccc1 ZINC000004910200 210321102 /nfs/dbraw/zinc/32/11/02/210321102.db2.gz JFRVNEZZRYUTPF-HXUWFJFHSA-N 1 0 346.471 2.441 50 0 EEAARO C[N@H+](CCNC(=O)c1ccc(-c2nc[nH]n2)cc1)CCc1ccccc1 ZINC000097594835 219037045 /nfs/dbraw/zinc/03/70/45/219037045.db2.gz PRJLQYKBBDKTRC-UHFFFAOYSA-N 1 0 349.438 2.376 50 0 EEAARO CN1CC[NH+](CCC(=O)N2CC[C@H](c3ccccc3Cl)C2)CC1 ZINC000299780291 258089600 /nfs/dbraw/zinc/08/96/00/258089600.db2.gz BXIDTSBOIQTKFW-HNNXBMFYSA-N 1 0 335.879 2.293 50 0 EEAARO CC1CC[NH+](Cc2ccc(C(=O)NCCc3nccn3C)o2)CC1 ZINC000299790727 258096391 /nfs/dbraw/zinc/09/63/91/258096391.db2.gz CJDWDHGLOHNPQU-UHFFFAOYSA-N 1 0 330.432 2.218 50 0 EEAARO O=C(NC[C@]1(O)CCC[NH2+]C1)Nc1cccc(-c2cscn2)c1 ZINC000299793578 258098858 /nfs/dbraw/zinc/09/88/58/258098858.db2.gz IAOPXACITXDNNC-INIZCTEOSA-N 1 0 332.429 2.046 50 0 EEAARO CCc1ccc(-n2cnnc2)cc1NC(=O)NCC[NH+]1CCCCC1 ZINC000299761793 258078674 /nfs/dbraw/zinc/07/86/74/258078674.db2.gz ZQRZQRXVPGJADH-UHFFFAOYSA-N 1 0 342.447 2.437 50 0 EEAARO Cc1nc(-c2ccc(CNC(=O)C[N@@H+]3C[C@@H]4CC[C@H]3C4)cc2)no1 ZINC000299762217 258078746 /nfs/dbraw/zinc/07/87/46/258078746.db2.gz SFKBHTLMDINNLF-ZBFHGGJFSA-N 1 0 326.400 2.146 50 0 EEAARO Cc1cc2cccc(C(=O)N3CCN(C)C4(CC[NH2+]CC4)C3)c2o1 ZINC000097619583 292020741 /nfs/dbraw/zinc/02/07/41/292020741.db2.gz CUGFWWLYWKVYGD-UHFFFAOYSA-N 1 0 327.428 2.251 50 0 EEAARO CCN(C(=O)CCn1ccnn1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630781 276060771 /nfs/dbraw/zinc/06/07/71/276060771.db2.gz GPENSFFXFOGYMG-AEFFLSMTSA-N 1 0 341.459 2.352 50 0 EEAARO C[NH+](C)[C@H]1CN(C(=O)CC(c2ccccc2)c2ccccc2)C[C@@H]1O ZINC000552158331 318501346 /nfs/dbraw/zinc/50/13/46/318501346.db2.gz NHOFZMUHKRYHKQ-PMACEKPBSA-N 1 0 338.451 2.342 50 0 EEAARO CCn1c[n+](C[C@H](O)COc2cccc(OC)c2)c2ccccc21 ZINC000000089091 462541677 /nfs/dbraw/zinc/54/16/77/462541677.db2.gz XYSJQXRXDMJRDD-HNNXBMFYSA-N 1 0 327.404 2.397 50 0 EEAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2cccc(C(F)(F)F)c2)n1 ZINC000000075722 462541014 /nfs/dbraw/zinc/54/10/14/462541014.db2.gz QHQKEFPPMPBIFN-UHFFFAOYSA-N 1 0 343.334 2.391 50 0 EEAARO COc1cc([C@H]2SCC(=O)N2CC[NH+]2CCCCC2)ccc1O ZINC000000182297 462545860 /nfs/dbraw/zinc/54/58/60/462545860.db2.gz IEKAIBOBLIUIAN-QGZVFWFLSA-N 1 0 336.457 2.461 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002857766 462605638 /nfs/dbraw/zinc/60/56/38/462605638.db2.gz NUFGNVDRZVVPJP-ZDUSSCGKSA-N 1 0 343.349 2.244 50 0 EEAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CC(=O)N(C2CCCCC2)C1 ZINC000002941065 462608104 /nfs/dbraw/zinc/60/81/04/462608104.db2.gz SFOAVDHFSVEABD-INIZCTEOSA-N 1 0 335.492 2.160 50 0 EEAARO C[C@H]([NH2+]C[C@H]1COc2ccccc2O1)C(=O)NCc1ccccc1 ZINC000003282094 462615069 /nfs/dbraw/zinc/61/50/69/462615069.db2.gz GBBLTMNYIAPFOL-HOCLYGCPSA-N 1 0 326.396 2.121 50 0 EEAARO CC[NH+](CC)CCNC(=O)N[C@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000005187778 462649355 /nfs/dbraw/zinc/64/93/55/462649355.db2.gz IFRUMMCUKWCGMM-INIZCTEOSA-N 1 0 346.475 2.050 50 0 EEAARO c1ccc(C[N@H+]2CC[C@@H](NCc3nc(-c4cccnc4)no3)C2)cc1 ZINC000065383211 462761126 /nfs/dbraw/zinc/76/11/26/462761126.db2.gz DZJNEWCEOFSQPZ-QGZVFWFLSA-N 1 0 335.411 2.496 50 0 EEAARO C[C@@H](NC(=O)N1C[C@H]([NH+](C)C)C[C@H]1CO)c1ccc(Cl)cc1 ZINC000065451502 462773860 /nfs/dbraw/zinc/77/38/60/462773860.db2.gz KPFXVBWANFCFSE-DFBGVHRSSA-N 1 0 325.840 2.107 50 0 EEAARO Cc1cccn2c(=O)cc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)nc12 ZINC000065473352 462777331 /nfs/dbraw/zinc/77/73/31/462777331.db2.gz GZFXPQSOKRYMSG-MRXNPFEDSA-N 1 0 349.438 2.332 50 0 EEAARO C[N@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)c2ccc[n+]([O-])c2)C1 ZINC000012712873 462864910 /nfs/dbraw/zinc/86/49/10/462864910.db2.gz ZGIQHYCMYIVSQA-LJQANCHMSA-N 1 0 339.439 2.099 50 0 EEAARO CSCCC[NH+]1CCC(c2nnc(Cn3ccnc3C)n2C)CC1 ZINC000091635820 462895799 /nfs/dbraw/zinc/89/57/99/462895799.db2.gz CKDWFHMJTREYOS-UHFFFAOYSA-N 1 0 348.520 2.301 50 0 EEAARO O=C(N[C@H]1C[N@@H+](CCO)C[C@@H]1C1CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000092020239 462920938 /nfs/dbraw/zinc/92/09/38/462920938.db2.gz SUHXXJHOVOPVDY-SJORKVTESA-N 1 0 348.874 2.191 50 0 EEAARO CC(C)n1cc(C(=O)N2CCCN(CCC[NH+]3CCCC3)CC2)cn1 ZINC000077487651 462993724 /nfs/dbraw/zinc/99/37/24/462993724.db2.gz FPDRWDRXIMQCAU-UHFFFAOYSA-N 1 0 347.507 2.098 50 0 EEAARO Cc1cc(N(C)C)nc(N2CCN(C(=O)c3ccccc3C)CC2)[nH+]1 ZINC000017135841 462996398 /nfs/dbraw/zinc/99/63/98/462996398.db2.gz PQIKLNKTXLCSMI-UHFFFAOYSA-N 1 0 339.443 2.122 50 0 EEAARO Cc1nc(C)n(C[C@H](C)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)n1 ZINC000077504914 462997111 /nfs/dbraw/zinc/99/71/11/462997111.db2.gz UXUNEDHXUMLHOE-AWEZNQCLSA-N 1 0 333.480 2.008 50 0 EEAARO C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCN(c2ccccn2)C1 ZINC000019581904 463019386 /nfs/dbraw/zinc/01/93/86/463019386.db2.gz DVNGPQFPROGEMY-SJORKVTESA-N 1 0 330.476 2.241 50 0 EEAARO CCCC(=O)Nc1cccc(NC(=O)N[C@H]2C[N@H+](C)C[C@@H]2OCC)c1 ZINC000095499916 463094996 /nfs/dbraw/zinc/09/49/96/463094996.db2.gz FMMJVFCTLQTOJJ-HOTGVXAUSA-N 1 0 348.447 2.266 50 0 EEAARO O=C1OC2(CN1Cc1cncn1Cc1ccccc1)CC[NH2+]CC2 ZINC000095526289 463103576 /nfs/dbraw/zinc/10/35/76/463103576.db2.gz LHZXQDOWHIYONA-UHFFFAOYSA-N 1 0 326.400 2.006 50 0 EEAARO Cc1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2Cc4ccccc4C2)C3)n1 ZINC000095527371 463104892 /nfs/dbraw/zinc/10/48/92/463104892.db2.gz CLKGXCUEDBWCPC-MAUKXSAKSA-N 1 0 338.455 2.442 50 0 EEAARO C[NH+]1CCN(Cn2nc3c4c(cccc4c2=O)-c2ccccc2-3)CC1 ZINC000071405225 463414537 /nfs/dbraw/zinc/41/45/37/463414537.db2.gz XLBKCNRUOCHBIM-UHFFFAOYSA-N 1 0 332.407 2.249 50 0 EEAARO COc1cc(CN2CC[N@H+](C(C)C)[C@H](CCO)C2)c(Cl)cc1O ZINC000104629612 463417743 /nfs/dbraw/zinc/41/77/43/463417743.db2.gz DLGNPNSKZVDGOM-CQSZACIVSA-N 1 0 342.867 2.331 50 0 EEAARO CCn1nc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1-c1cccc(F)c1 ZINC000034901740 463430266 /nfs/dbraw/zinc/43/02/66/463430266.db2.gz CSXFIXSFZDOBON-HNNXBMFYSA-N 1 0 330.407 2.485 50 0 EEAARO CCCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccccc1 ZINC000035421731 463430987 /nfs/dbraw/zinc/43/09/87/463430987.db2.gz RFGBDQBHXNLNCQ-UHFFFAOYSA-N 1 0 331.460 2.141 50 0 EEAARO COc1cccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c1OC ZINC000105905257 463495613 /nfs/dbraw/zinc/49/56/13/463495613.db2.gz WTBSXTJNJIMHAX-HNNXBMFYSA-N 1 0 328.416 2.252 50 0 EEAARO CC[C@@H](OC)C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082121682 463516776 /nfs/dbraw/zinc/51/67/76/463516776.db2.gz AJQWPTQRVFOCLN-GOSISDBHSA-N 1 0 348.491 2.463 50 0 EEAARO CC(=O)c1c(C)nn(CCC(=O)N2CCCC[C@H]([NH+](C)C)C2)c1C ZINC000082139031 463518679 /nfs/dbraw/zinc/51/86/79/463518679.db2.gz LDPCFDZUTBLTIZ-INIZCTEOSA-N 1 0 334.464 2.035 50 0 EEAARO CO[C@@H](C)c1cccc(NC(=O)C(=O)NCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000106764130 463534413 /nfs/dbraw/zinc/53/44/13/463534413.db2.gz PTAJGBZBDRQOBW-GJZGRUSLSA-N 1 0 347.459 2.323 50 0 EEAARO Cc1cnn(C[C@H]2CCC[N@@H+]2C[C@@H](O)COc2ccc(F)cc2)c1 ZINC000106843589 463541549 /nfs/dbraw/zinc/54/15/49/463541549.db2.gz COZOXFYZLIDRCS-IAGOWNOFSA-N 1 0 333.407 2.235 50 0 EEAARO COc1c(C[NH2+]C[C@@H]2CCN(c3ccccc3OC)C2)c(C)nn1C ZINC000058344957 463585112 /nfs/dbraw/zinc/58/51/12/463585112.db2.gz NUBZCIDPUKUXGZ-HNNXBMFYSA-N 1 0 344.459 2.362 50 0 EEAARO CC(=O)Nc1ccccc1CNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000108099909 463590055 /nfs/dbraw/zinc/59/00/55/463590055.db2.gz YBMLGVYGBBDFJL-CXAGYDPISA-N 1 0 332.448 2.127 50 0 EEAARO CC(C)(C)c1cc(C(=O)N2CCC[N@@H+](C3CCCC3)CC2)[nH]c(=O)n1 ZINC000215550795 464107411 /nfs/dbraw/zinc/10/74/11/464107411.db2.gz MICVRGAKVGNNNH-UHFFFAOYSA-N 1 0 346.475 2.158 50 0 EEAARO C[C@@H](NC(=O)CN1CCC([NH+]2CCSCC2)CC1)c1ccccc1 ZINC000244899337 464465284 /nfs/dbraw/zinc/46/52/84/464465284.db2.gz ZIAISQYXBRNRHA-MRXNPFEDSA-N 1 0 347.528 2.377 50 0 EEAARO CC(C)c1csc(C(=O)N[C@@H]([C@H]2C[C@H](O)C2)C2CC[NH2+]CC2)n1 ZINC000244899612 464465393 /nfs/dbraw/zinc/46/53/93/464465393.db2.gz ZMVPESKTLNYNKM-UMVBOHGHSA-N 1 0 337.489 2.135 50 0 EEAARO COc1cc(CCC(=O)N(C)C[C@@H]2CCC[N@@H+]3CCCC[C@H]23)on1 ZINC000253399584 465001881 /nfs/dbraw/zinc/00/18/81/465001881.db2.gz DCFUEOJYQUYAEN-GOEBONIOSA-N 1 0 335.448 2.339 50 0 biogenic EEAARO Cc1cc(C(=O)N2CCOC[C@H](C[NH+](C)C)C2)c2ccc(F)cc2n1 ZINC000299769822 465884451 /nfs/dbraw/zinc/88/44/51/465884451.db2.gz QWDGPUYNNVXLID-CQSZACIVSA-N 1 0 345.418 2.333 50 0 EEAARO CN(C(=O)NCCc1csc(-c2ccncc2)n1)[C@@H]1CC[N@H+](C)C1 ZINC000534585019 468264970 /nfs/dbraw/zinc/26/49/70/468264970.db2.gz BAKJQJNUEVMVOW-OAHLLOKOSA-N 1 0 345.472 2.093 50 0 EEAARO COc1ccccc1-c1cc(CNC(=O)N2CC[C@@H]([NH+](C)C)C2)on1 ZINC000584899428 468958592 /nfs/dbraw/zinc/95/85/92/468958592.db2.gz WNJUQIUEWBSWIC-CYBMUJFWSA-N 1 0 344.415 2.196 50 0 EEAARO CCc1nc(C)sc1CNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584897149 468959004 /nfs/dbraw/zinc/95/90/04/468959004.db2.gz BGLHHRDNZLDMEV-UHFFFAOYSA-N 1 0 345.472 2.441 50 0 EEAARO Cc1nc(CCN(C)C(=O)NC[C@H]2CC[N@@H+](C3CCCCC3)C2)no1 ZINC000584901840 468959394 /nfs/dbraw/zinc/95/93/94/468959394.db2.gz XYLLWRSUAUUHEA-OAHLLOKOSA-N 1 0 349.479 2.217 50 0 EEAARO C[N@@H+]1CCC[C@](O)(CC(=O)NCc2ccc(C(F)(F)F)cc2)C1 ZINC000585134030 468984553 /nfs/dbraw/zinc/98/45/53/468984553.db2.gz BCOQXFDEJWOTEG-HNNXBMFYSA-N 1 0 330.350 2.168 50 0 EEAARO Cn1ccnc1[C@H]([NH2+]C1CCN(C(=O)c2ccccn2)CC1)C1CC1 ZINC000534634292 485548898 /nfs/dbraw/zinc/54/88/98/485548898.db2.gz RVULYGUSFPPIAB-QGZVFWFLSA-N 1 0 339.443 2.161 50 0 EEAARO CCCCNC(=O)CN(C)C(=O)c1ccc(-c2c[nH+]ccc2N)cc1 ZINC000426392814 535280902 /nfs/dbraw/zinc/28/09/02/535280902.db2.gz MMIUPPZRPMWVTG-UHFFFAOYSA-N 1 0 340.427 2.149 50 0 EEAARO CCn1c(COc2cccc(OC)c2OC)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000244601959 535985240 /nfs/dbraw/zinc/98/52/40/535985240.db2.gz DVAMNWMWUQSEGK-TXEJJXNPSA-N 1 0 332.404 2.099 50 0 EEAARO COc1ccc(Cl)cc1-c1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2O)c1 ZINC000426734174 536545432 /nfs/dbraw/zinc/54/54/32/536545432.db2.gz VQUBZRULKVSZME-HZPDHXFCSA-N 1 0 346.814 2.078 50 0 EEAARO COc1ccc(C(=O)N[C@H]2COC3(C2)CCCCC3)cc1OCC[NH3+] ZINC000426573339 536772849 /nfs/dbraw/zinc/77/28/49/536772849.db2.gz XKHQQLBSBQZGPZ-OAHLLOKOSA-N 1 0 348.443 2.254 50 0 EEAARO COc1ccccc1-c1ncc(CNC(=O)N2CC[C@H]([NH3+])C2)s1 ZINC000426612381 536972427 /nfs/dbraw/zinc/97/24/27/536972427.db2.gz 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EEAARO CN(Cc1cnn(C)c1)C(=O)c1ccc(OCCC[NH3+])c(Cl)c1 ZINC000426551942 241309819 /nfs/dbraw/zinc/30/98/19/241309819.db2.gz GEHFOMGOPJDADV-UHFFFAOYSA-N 1 0 336.823 2.073 50 0 EEAARO CCc1nc(CSc2nnc([C@H]([NH3+])Cc3ccccc3)n2C)no1 ZINC000426733971 241333316 /nfs/dbraw/zinc/33/33/16/241333316.db2.gz GRWPSTYRTUJXHY-GFCCVEGCSA-N 1 0 344.444 2.295 50 0 EEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(F)c1F ZINC000021891364 212259646 /nfs/dbraw/zinc/25/96/46/212259646.db2.gz RRFCMYKNSNIVDW-UHFFFAOYSA-N 1 0 334.363 2.009 50 0 EEAARO O[C@H]1C[C@@H](c2cc(NC3CC[NH+](Cc4cccnc4)CC3)ncn2)C1 ZINC000244619938 243045355 /nfs/dbraw/zinc/04/53/55/243045355.db2.gz FIWKMMLKQHTOGV-WOVMCDHWSA-N 1 0 339.443 2.186 50 0 EEAARO COCCn1c(COc2cc(C)ccc2F)nnc1[C@H]1C[C@H]([NH3+])C1 ZINC000244773994 243079223 /nfs/dbraw/zinc/07/92/23/243079223.db2.gz PKIQRMFICNYUTG-JOCQHMNTSA-N 1 0 334.395 2.156 50 0 EEAARO C[C@@H](Cc1cnccn1)[N@H+](C)CCC(=O)Nc1nnc(C2CC2)s1 ZINC000244872906 243088612 /nfs/dbraw/zinc/08/86/12/243088612.db2.gz WGQRYXNMJCUDEM-NSHDSACASA-N 1 0 346.460 2.097 50 0 EEAARO C[C@H](Cc1cnccn1)[N@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000244884096 243098065 /nfs/dbraw/zinc/09/80/65/243098065.db2.gz YFDXSAOHMDTDNZ-GOSISDBHSA-N 1 0 339.487 2.162 50 0 EEAARO CCC[NH+]1CCN(CCNC(=O)Nc2cc(C)ccc2OC)CC1 ZINC000020726048 212165324 /nfs/dbraw/zinc/16/53/24/212165324.db2.gz AFYDCRXYCHIPSO-UHFFFAOYSA-N 1 0 334.464 2.153 50 0 EEAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)C3(c4ccccc4)CC3)C2)CC1 ZINC000020541448 212145422 /nfs/dbraw/zinc/14/54/22/212145422.db2.gz GXVKKZJLIBCCCP-SFHVURJKSA-N 1 0 341.499 2.393 50 0 EEAARO CSc1ccc(C[NH2+]CCc2ccc(S(N)(=O)=O)cc2)cc1 ZINC000019796828 212068638 /nfs/dbraw/zinc/06/86/38/212068638.db2.gz JUBMILSSQMNPKL-UHFFFAOYSA-N 1 0 336.482 2.388 50 0 EEAARO CC[NH+](CC)[C@H]1CCc2c(c(C(=O)N(C)Cc3ccco3)nn2C)C1 ZINC000014538007 211741936 /nfs/dbraw/zinc/74/19/36/211741936.db2.gz APXZOYSCVPGUMK-AWEZNQCLSA-N 1 0 344.459 2.484 50 0 EEAARO CC[C@@]1(CO)CCC[N@H+](CCC(=O)N2CCc3ccccc3C2)C1 ZINC000091468913 218010892 /nfs/dbraw/zinc/01/08/92/218010892.db2.gz HLOIRKXLUZONKD-HXUWFJFHSA-N 1 0 330.472 2.446 50 0 EEAARO COc1ccccc1/C=C/C[N@@H+]1CC[C@]2(C1)CCCN(CCO)C2=O ZINC000091536508 218019215 /nfs/dbraw/zinc/01/92/15/218019215.db2.gz KWPAIMNBMFCPON-PDGUBNMISA-N 1 0 344.455 2.015 50 0 EEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCCNS(=O)(=O)c2ccc(F)cc2)C1 ZINC000010544052 211180039 /nfs/dbraw/zinc/18/00/39/211180039.db2.gz MKLATIJTIUCBJV-OKILXGFUSA-N 1 0 328.453 2.472 50 0 EEAARO CSCc1noc(CNC(=O)c2cccc([C@@H]3CCC[NH2+]C3)c2)n1 ZINC000095362110 218294993 /nfs/dbraw/zinc/29/49/93/218294993.db2.gz RDYPNOPHANZHKB-CQSZACIVSA-N 1 0 346.456 2.330 50 0 EEAARO COCCC[N@@H+]1CC[C@H](CNc2ncnc3nc(C)cc(C)c32)C1 ZINC000095374579 218307873 /nfs/dbraw/zinc/30/78/73/218307873.db2.gz JCFJMQKDFPUENB-OAHLLOKOSA-N 1 0 329.448 2.412 50 0 EEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1Nc1cc(C)nc(Nc2cccc(O)c2)n1 ZINC000095374554 218307993 /nfs/dbraw/zinc/30/79/93/218307993.db2.gz KIOSYFZCGLOXEL-HOTGVXAUSA-N 1 0 343.431 2.365 50 0 EEAARO C[N@@H+]1CCN(Cc2cscn2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000095370403 218303075 /nfs/dbraw/zinc/30/30/75/218303075.db2.gz HNGVJQRWHZKIMI-SFHVURJKSA-N 1 0 348.516 2.052 50 0 EEAARO COCC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2C)N(C)C)CC1 ZINC000095370982 218304517 /nfs/dbraw/zinc/30/45/17/218304517.db2.gz NNYUJKMEYIKUKU-IBGZPJMESA-N 1 0 347.503 2.072 50 0 EEAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(c2nc(CO)cs2)C1 ZINC000095529901 218432432 /nfs/dbraw/zinc/43/24/32/218432432.db2.gz NPWWRTKVZTVSRR-CQSZACIVSA-N 1 0 349.504 2.168 50 0 EEAARO O=C(NCc1cn2c(n1)SCC2)c1ccc(C[NH+]2CCCC2)o1 ZINC000097572151 219036415 /nfs/dbraw/zinc/03/64/15/219036415.db2.gz JXNAJVOVQYBTHH-UHFFFAOYSA-N 1 0 332.429 2.108 50 0 EEAARO CC[C@@H](C(=O)NC1CC[NH+](Cc2cccnc2)CC1)n1cccn1 ZINC000299787226 258093759 /nfs/dbraw/zinc/09/37/59/258093759.db2.gz PHMCJJGQIGJURE-KRWDZBQOSA-N 1 0 327.432 2.010 50 0 EEAARO NC(=O)CCc1nc([C@H]2C[C@@H](c3ccccc3)[N@@H+]3CCC[C@H]23)no1 ZINC000299791508 258097005 /nfs/dbraw/zinc/09/70/05/258097005.db2.gz DGDSMYBUZOVOQC-ZNMIVQPWSA-N 1 0 326.400 2.181 50 0 EEAARO COc1cc(Cl)c(S(=O)(=O)NC2CC[NH2+]CC2)cc1Cl ZINC000262770482 152315038 /nfs/dbraw/zinc/31/50/38/152315038.db2.gz VLFQTPUBBBPBQO-UHFFFAOYSA-N 1 0 339.244 2.032 50 0 EEAARO Cc1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2S(=O)(=O)c1cccnc1 ZINC000001031209 292354817 /nfs/dbraw/zinc/35/48/17/292354817.db2.gz BAIZBNFYYHPVHK-WMZOPIPTSA-N 1 0 343.452 2.387 50 0 biogenic EEAARO CN1C[C@]2(CCC[N@H+](Cc3cc(F)ccc3-n3cccn3)C2)OC1=O ZINC000072422220 277207258 /nfs/dbraw/zinc/20/72/58/277207258.db2.gz BGHDJPBREMCNER-SFHVURJKSA-N 1 0 344.390 2.428 50 0 EEAARO CCC[N@@H+]1CC[C@H](CNC(=O)N2CCC(CCn3cccn3)CC2)C1 ZINC000534676174 468273492 /nfs/dbraw/zinc/27/34/92/468273492.db2.gz HTOIVOMOWPTRDP-GOSISDBHSA-N 1 0 347.507 2.427 50 0 EEAARO CCOC(=O)c1cccc(NC2=NC3(CCCCC3)NC(=[NH2+])N2)c1 ZINC000000203765 462547343 /nfs/dbraw/zinc/54/73/43/462547343.db2.gz IQDAWMWSGXPSNV-UHFFFAOYSA-N 1 0 329.404 2.210 50 0 EEAARO CC(C)(C)[NH2+]CCNC(=O)C(=O)Nc1c(F)cc(Cl)cc1F ZINC000128048319 462605227 /nfs/dbraw/zinc/60/52/27/462605227.db2.gz KDMYXKOJOAKBIO-UHFFFAOYSA-N 1 0 333.766 2.061 50 0 EEAARO c1nc(NCCc2n[nH]c3c2CCCC3)cc([C@@H]2CCC[NH2+]C2)n1 ZINC000045971725 462634214 /nfs/dbraw/zinc/63/42/14/462634214.db2.gz FJZJQFAMNJWHAV-CYBMUJFWSA-N 1 0 326.448 2.200 50 0 EEAARO COCCC[NH2+]C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000006552532 462689800 /nfs/dbraw/zinc/68/98/00/462689800.db2.gz KNZLKLAIDAGTNE-CQSZACIVSA-N 1 0 325.449 2.359 50 0 EEAARO CCCC[N@H+](C)CCNC(=O)Cn1ncc2c1-c1ccccc1OC2 ZINC000006805323 462706560 /nfs/dbraw/zinc/70/65/60/462706560.db2.gz IJVAFILXRNLGKN-UHFFFAOYSA-N 1 0 342.443 2.291 50 0 EEAARO Cc1cc(N(C)C)nc(NCCNC(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000065363906 462758439 /nfs/dbraw/zinc/75/84/39/462758439.db2.gz KIBYVLSMWOOQQO-UHFFFAOYSA-N 1 0 333.823 2.346 50 0 EEAARO Cc1cc(C[N@@H+]2C[C@@H]3C[NH+](C4CCCC4)C[C@]3(C(=O)[O-])C2)ccc1O ZINC000065373497 462760043 /nfs/dbraw/zinc/76/00/43/462760043.db2.gz SMNYHEHAXRLZPF-OXQOHEQNSA-N 1 0 344.455 2.462 50 0 EEAARO CC(=O)N[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)c(Cl)c2)C1 ZINC000065421166 462768959 /nfs/dbraw/zinc/76/89/59/462768959.db2.gz QLHWFVJZNBYILZ-LBPRGKRZSA-N 1 0 327.787 2.018 50 0 EEAARO CCOCCN1CC[NH+](CCC(=O)NC2CCCCCCC2)CC1 ZINC000065432958 462770330 /nfs/dbraw/zinc/77/03/30/462770330.db2.gz FOIXSXKSEUBBKN-UHFFFAOYSA-N 1 0 339.524 2.260 50 0 EEAARO CCn1ncnc1CN1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000065455262 462773036 /nfs/dbraw/zinc/77/30/36/462773036.db2.gz HRVNWFMRWFTADI-UHFFFAOYSA-N 1 0 336.443 2.477 50 0 EEAARO O=C(C[NH2+]Cc1ccc2c(c1)OCCCO2)NCc1ccccc1F ZINC000065491280 462780806 /nfs/dbraw/zinc/78/08/06/462780806.db2.gz VWDSAKAZUPIGJC-UHFFFAOYSA-N 1 0 344.386 2.393 50 0 EEAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2ccc(F)c(F)c2)CC1 ZINC000009341890 462802770 /nfs/dbraw/zinc/80/27/70/462802770.db2.gz DPMYWABBETZKCU-UHFFFAOYSA-N 1 0 344.369 2.236 50 0 EEAARO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000012745511 462866322 /nfs/dbraw/zinc/86/63/22/462866322.db2.gz YHNSRQDZWIJWBX-KRWDZBQOSA-N 1 0 340.431 2.398 50 0 EEAARO O=C(C[NH+]1CCCCCC1)N1CC[C@H](Cc2ccc(CO)cc2)C1 ZINC000091663173 462897205 /nfs/dbraw/zinc/89/72/05/462897205.db2.gz QVVTXNZJDACQQO-LJQANCHMSA-N 1 0 330.472 2.446 50 0 EEAARO Cc1cc(=O)oc2cc(NC(=S)NC3CC[NH+](C)CC3)ccc12 ZINC000013775634 462904012 /nfs/dbraw/zinc/90/40/12/462904012.db2.gz RTLXKGPCXZDXFD-UHFFFAOYSA-N 1 0 331.441 2.482 50 0 EEAARO Cc1ccccc1[C@@H]1CC[N@@H+](CCn2cc(-c3nccn3C)nn2)C1 ZINC000091846015 462910501 /nfs/dbraw/zinc/91/05/01/462910501.db2.gz OKOVPCRQFHJBLE-MRXNPFEDSA-N 1 0 336.443 2.477 50 0 EEAARO O=C1c2ccccc2C(=O)N1CCSC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000014182574 462916137 /nfs/dbraw/zinc/91/61/37/462916137.db2.gz HNTQWCWTQIDXOA-KBPBESRZSA-N 1 0 329.425 2.286 50 0 EEAARO Cc1nn(CCO)cc1C[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000077288079 462963711 /nfs/dbraw/zinc/96/37/11/462963711.db2.gz OXGFUXUAMRRMMO-QGZVFWFLSA-N 1 0 328.460 2.142 50 0 EEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000077322868 462969212 /nfs/dbraw/zinc/96/92/12/462969212.db2.gz LUOHDIYONQQBMC-ROUUACIJSA-N 1 0 327.428 2.301 50 0 EEAARO Cc1cc(N2CCCN(C(=O)[C@@H]3Cc4ccccc4O3)CC2)cc[nH+]1 ZINC000077338856 462971148 /nfs/dbraw/zinc/97/11/48/462971148.db2.gz GZBDRMSMFXISET-IBGZPJMESA-N 1 0 337.423 2.432 50 0 EEAARO O[C@]1(C[NH+]2CCCC2)CCCN(Cc2cnc(-c3ccco3)nc2)C1 ZINC000077470712 462990350 /nfs/dbraw/zinc/99/03/50/462990350.db2.gz REYJEALZIRQEDI-IBGZPJMESA-N 1 0 342.443 2.159 50 0 EEAARO CCOC(=O)[C@H]1CCCCN1c1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067852444 463057874 /nfs/dbraw/zinc/05/78/74/463057874.db2.gz PRTULUXOZBKTBV-MRXNPFEDSA-N 1 0 332.448 2.174 50 0 EEAARO CC(C)[C@@H]([NH3+])C(=O)NCc1cccnc1N1CCc2ccccc2C1 ZINC000067894578 463063797 /nfs/dbraw/zinc/06/37/97/463063797.db2.gz MZQPZUCBRFIZDB-GOSISDBHSA-N 1 0 338.455 2.244 50 0 EEAARO O=C(OC[C@H](O)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000023704156 463069717 /nfs/dbraw/zinc/06/97/17/463069717.db2.gz OLHKWDBJLFGPFK-LJQANCHMSA-N 1 0 340.423 2.027 50 0 EEAARO CC1(C)CC(NC(=O)CCNC(=O)c2cccs2)CC(C)(C)[NH2+]1 ZINC000024498023 463087925 /nfs/dbraw/zinc/08/79/25/463087925.db2.gz LQMDWTXWBVCESI-UHFFFAOYSA-N 1 0 337.489 2.293 50 0 EEAARO CN(C)c1nc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)cs1 ZINC000095502345 463095991 /nfs/dbraw/zinc/09/59/91/463095991.db2.gz NUCJVTMYJLWHLJ-CYBMUJFWSA-N 1 0 348.472 2.331 50 0 EEAARO COc1ccc([C@@H]2CN(C(=O)c3cncc(F)c3)C[C@H]2[NH+](C)C)cc1 ZINC000095511025 463099693 /nfs/dbraw/zinc/09/96/93/463099693.db2.gz FDTZLZLQGGRDCU-ZWKOTPCHSA-N 1 0 343.402 2.399 50 0 EEAARO CCCc1cncnc1N1CCC([NH2+][C@H]2CN3CCC2CC3)CC1 ZINC000095522309 463102490 /nfs/dbraw/zinc/10/24/90/463102490.db2.gz OTQZGUDTTDPDCA-SFHVURJKSA-N 1 0 329.492 2.082 50 0 EEAARO Cc1cnn(CCC[NH2+]C2CCN(c3nc(C)cc(C)n3)CC2)c1 ZINC000095531528 463107087 /nfs/dbraw/zinc/10/70/87/463107087.db2.gz AOMIKEIFGVBGTB-UHFFFAOYSA-N 1 0 328.464 2.247 50 0 EEAARO CC[NH+](CC)CCOC(=O)[C@H](c1ccccc1)n1nc(C)ccc1=O ZINC000096028063 463142513 /nfs/dbraw/zinc/14/25/13/463142513.db2.gz OMDHKUGSXFHMJD-SFHVURJKSA-N 1 0 343.427 2.026 50 0 EEAARO Cc1ccc(C(=O)NC(C)(C)C[NH+]2CCCC2)cc1N1CCNC1=O ZINC000096163999 463193277 /nfs/dbraw/zinc/19/32/77/463193277.db2.gz FMOZXSIGOVCYQP-UHFFFAOYSA-N 1 0 344.459 2.129 50 0 EEAARO CCCCSC[C@@H](O)C[N@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000136528896 463243737 /nfs/dbraw/zinc/24/37/37/463243737.db2.gz VVCPVDOFZBZVID-XHSDSOJGSA-N 1 0 336.501 2.162 50 0 biogenic EEAARO Cc1ccc([C@H](NC(=O)CSc2nc(N)cc(N)[nH+]2)C2CC2)cc1 ZINC000031355636 463337144 /nfs/dbraw/zinc/33/71/44/463337144.db2.gz HKZPDBDGBMXVQP-INIZCTEOSA-N 1 0 343.456 2.309 50 0 EEAARO COc1ccc(OC[C@@H](O)C[NH2+]C(C)(C)CO)c(C(C)(C)C)c1 ZINC000032682364 463387189 /nfs/dbraw/zinc/38/71/89/463387189.db2.gz XEGMOMVDORTDGF-ZDUSSCGKSA-N 1 0 325.449 2.093 50 0 EEAARO CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCS(=O)(=O)C1 ZINC000032739812 463391129 /nfs/dbraw/zinc/39/11/29/463391129.db2.gz GXXFLGXLBLCTFB-KBPBESRZSA-N 1 0 338.473 2.304 50 0 EEAARO O=C(CCC[NH+]1CCCC1)N1CCN(c2cccc(Cl)c2)C(=O)C1 ZINC000082136817 463518313 /nfs/dbraw/zinc/51/83/13/463518313.db2.gz IGROVEOWBLTPAN-UHFFFAOYSA-N 1 0 349.862 2.391 50 0 EEAARO COc1ccc(CC(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000106661453 463530847 /nfs/dbraw/zinc/53/08/47/463530847.db2.gz CPTOLKNOOVBWFZ-DLBZAZTESA-N 1 0 332.444 2.332 50 0 EEAARO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)N2CCC(C)CC2)C1 ZINC000106834469 463540913 /nfs/dbraw/zinc/54/09/13/463540913.db2.gz OZRQLVPCERQUBH-SJORKVTESA-N 1 0 337.508 2.118 50 0 EEAARO COc1ccc([C@H](O)C[N@@H+]2CCCC[C@@H]2Cn2nc(C)nc2C)cc1 ZINC000106908090 463548934 /nfs/dbraw/zinc/54/89/34/463548934.db2.gz BGCSTIOOFGDBJQ-IEBWSBKVSA-N 1 0 344.459 2.492 50 0 EEAARO C[C@H]1C[N@H+](C)C[C@H]1NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000107142700 463559418 /nfs/dbraw/zinc/55/94/18/463559418.db2.gz OYCQOAAPQYEGPP-GXFFZTMASA-N 1 0 336.379 2.075 50 0 EEAARO O=C([C@H]1CCCO1)N1CC[NH+](C[C@H]2CCCc3ccccc32)CC1 ZINC000109003081 463631518 /nfs/dbraw/zinc/63/15/18/463631518.db2.gz RLWUVVHXLMKYMJ-IEBWSBKVSA-N 1 0 328.456 2.430 50 0 EEAARO O=C(C[NH+]1CCCCCC1)NCc1csc(-c2ncccn2)n1 ZINC000219948496 464112879 /nfs/dbraw/zinc/11/28/79/464112879.db2.gz NWFIXPQXFDHLKY-UHFFFAOYSA-N 1 0 331.445 2.092 50 0 EEAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCCc1nccc(-c2ccccc2)n1 ZINC000220201056 464115690 /nfs/dbraw/zinc/11/56/90/464115690.db2.gz JVICAFAUVCOMTI-WBVHZDCISA-N 1 0 336.439 2.287 50 0 EEAARO CC[C@@H](NC(=O)CSCC[NH+]1CCCC1)c1cn2cccnc2n1 ZINC000221314295 464121072 /nfs/dbraw/zinc/12/10/72/464121072.db2.gz PPKDSFQQAJWJAY-CQSZACIVSA-N 1 0 347.488 2.126 50 0 EEAARO Cc1ccc(C)n1CC(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000253401142 465002042 /nfs/dbraw/zinc/00/20/42/465002042.db2.gz FKBQAVXPHPUTEN-UHFFFAOYSA-N 1 0 326.444 2.281 50 0 EEAARO CC[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC000299754949 465883934 /nfs/dbraw/zinc/88/39/34/465883934.db2.gz DIBMHLXAVQTZMZ-INIZCTEOSA-N 1 0 329.444 2.491 50 0 EEAARO COc1ccc([C@H]([NH3+])CC(=O)NCc2c(C)noc2C)cc1OC ZINC000534574557 468263592 /nfs/dbraw/zinc/26/35/92/468263592.db2.gz UWTARFXKFFEQBY-CQSZACIVSA-N 1 0 333.388 2.015 50 0 EEAARO CN(C(=O)NCCc1csc(-c2ccncc2)n1)[C@H]1CC[N@H+](C)C1 ZINC000534585018 468265477 /nfs/dbraw/zinc/26/54/77/468265477.db2.gz BAKJQJNUEVMVOW-HNNXBMFYSA-N 1 0 345.472 2.093 50 0 EEAARO CC(=O)c1c(-c2cccc(C(=O)N(C)[C@@H]3CC[N@H+](C)C3)c2)cnn1C ZINC000584886280 468955415 /nfs/dbraw/zinc/95/54/15/468955415.db2.gz WDIUPPPVQDYHQV-MRXNPFEDSA-N 1 0 340.427 2.066 50 0 EEAARO OC[C@H]1CCCN(CC[NH2+]C2CCN(c3ccc(F)cc3)CC2)C1 ZINC000584892555 468957926 /nfs/dbraw/zinc/95/79/26/468957926.db2.gz BOPIFMNNFIIUTA-INIZCTEOSA-N 1 0 335.467 2.088 50 0 EEAARO O=C(c1cccc(F)c1F)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000219721174 485531970 /nfs/dbraw/zinc/53/19/70/485531970.db2.gz APKIFPSRIVEVAR-UHFFFAOYSA-N 1 0 338.398 2.275 50 0 EEAARO CCC[N@@H+]1CCC[C@H](NS(=O)(=O)CCOc2ccc(C)cc2)C1 ZINC000670454624 485649255 /nfs/dbraw/zinc/64/92/55/485649255.db2.gz OJTOPPVQNLUOOC-INIZCTEOSA-N 1 0 340.489 2.168 50 0 EEAARO Cc1ccc2c(=O)cc(C(=O)NCCNc3cc[nH+]cc3C)oc2c1 ZINC000670456452 485650102 /nfs/dbraw/zinc/65/01/02/485650102.db2.gz VXKJDCBQMYXRGZ-UHFFFAOYSA-N 1 0 337.379 2.069 50 0 EEAARO CC[N@@H+]1CCCC[C@H]1CNC(=O)N1CC(Oc2ccccc2OC)C1 ZINC000426378217 535505010 /nfs/dbraw/zinc/50/50/10/535505010.db2.gz QLMQIOBHKHIHEP-HNNXBMFYSA-N 1 0 347.459 2.342 50 0 EEAARO CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000221946928 564116760 /nfs/dbraw/zinc/11/67/60/564116760.db2.gz FFVWKHIFMUYZJY-MSOLQXFVSA-N 1 0 328.460 2.082 50 0 EEAARO O=C(CC[NH+]1CCC([C@@H](O)c2ccccn2)CC1)Nc1cccnc1 ZINC000244795826 693885929 /nfs/dbraw/zinc/88/59/29/693885929.db2.gz ROHKYGPNTMHILS-LJQANCHMSA-N 1 0 340.427 2.251 50 0 EEAARO O=c1cc(C[N@@H+]2C[C@@H]3COCC[C@]3(CO)C2)[nH]c2ccc(Cl)cc12 ZINC001772711708 1179305885 /nfs/dbraw/zinc/30/58/85/1179305885.db2.gz JIXAQRPBVONARZ-KZULUSFZSA-N 1 0 348.830 2.012 50 0 EEAARO CC[N@@H+]1CC[C@H](CNS(=O)(=O)c2ccc3nc(C)sc3c2)C1 ZINC000067871478 1250133376 /nfs/dbraw/zinc/13/33/76/1250133376.db2.gz MZIWZUODVUGIIV-GFCCVEGCSA-N 1 0 339.486 2.225 50 0 EEAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)NC(=O)CSc1ncccn1 ZINC000821294826 798612233 /nfs/dbraw/zinc/61/22/33/798612233.db2.gz PPYORMJCQFKUDD-CQSZACIVSA-N 1 0 342.468 2.132 50 0 EEAARO COc1cc2c(cc1CNC(=O)N1CCC[C@@]3(CC[NH2+]C3)C1)CCC2 ZINC000824616717 800283276 /nfs/dbraw/zinc/28/32/76/800283276.db2.gz JOMMRIHHBOJLLI-FQEVSTJZSA-N 1 0 343.471 2.469 50 0 EEAARO Cc1nn(C)cc1C(=O)NC[C@H]1CCCN(c2cc[nH+]c(C)c2)C1 ZINC000825647627 800349464 /nfs/dbraw/zinc/34/94/64/800349464.db2.gz AZFDYCHKRKBAHU-OAHLLOKOSA-N 1 0 327.432 2.078 50 0 EEAARO Cc1cc(C)n([C@@H]2CCN(c3nc(CC[NH3+])nc4ccccc43)C2)n1 ZINC000065386176 802786508 /nfs/dbraw/zinc/78/65/08/802786508.db2.gz GKXBWNWPQQDKFL-OAHLLOKOSA-N 1 0 336.443 2.396 50 0 EEAARO Cc1ccc(NC(C)(C)C(=O)NCC[C@H](C)[NH+]2CCN(C)CC2)cc1 ZINC001506412402 1114599713 /nfs/dbraw/zinc/59/97/13/1114599713.db2.gz DFFAIIDIQILAOY-KRWDZBQOSA-N 1 0 346.519 2.328 50 0 EEAARO COCC[N@@H+]1CC[C@H](CNc2cc(C(=O)N3CCCCC3)ccn2)C1 ZINC001529103395 1121316428 /nfs/dbraw/zinc/31/64/28/1121316428.db2.gz AQLHWQMLWJVKHS-MRXNPFEDSA-N 1 0 346.475 2.088 50 0 EEAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNc2nc(N)nc3nc[nH]c32)C1 ZINC001529189322 1121362825 /nfs/dbraw/zinc/36/28/25/1121362825.db2.gz LWMJZYIFIWBOQL-CYBMUJFWSA-N 1 0 337.431 2.097 50 0 EEAARO COCc1cc(CN(C)C(=O)c2ccc(C[NH+]3CCCC3)o2)[nH]n1 ZINC000097610138 219041075 /nfs/dbraw/zinc/04/10/75/219041075.db2.gz BFMPVNNWNPDGJO-UHFFFAOYSA-N 1 0 332.404 2.017 50 0 EEAARO Cc1nc2ccccc2nc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000023361001 282082817 /nfs/dbraw/zinc/08/28/17/282082817.db2.gz BEFUEASUOVPZJB-INIZCTEOSA-N 1 0 326.444 2.235 50 0 EEAARO Cc1c(C[NH2+]CCNc2cccnc2)c2ccccc2n1CC(N)=O ZINC000055393569 214318105 /nfs/dbraw/zinc/31/81/05/214318105.db2.gz JEOZJGPDFGROLE-UHFFFAOYSA-N 1 0 337.427 2.032 50 0 EEAARO CN(Cc1ccccc1)c1ncccc1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000067472912 215150399 /nfs/dbraw/zinc/15/03/99/215150399.db2.gz JUQHHOSHCJHQFJ-SFHVURJKSA-N 1 0 338.455 2.476 50 0 EEAARO O=c1n(CCn2cccc2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000067740371 215199769 /nfs/dbraw/zinc/19/97/69/215199769.db2.gz SPHCQFPYHCOGAA-INIZCTEOSA-N 1 0 337.427 2.003 50 0 EEAARO CC[NH+](CC)[C@H]1CCN(Cc2cc3cc(OC)ccc3[nH]c2=O)C1 ZINC000067804788 215216045 /nfs/dbraw/zinc/21/60/45/215216045.db2.gz OEVUYFPXSCZCCF-INIZCTEOSA-N 1 0 329.444 2.453 50 0 EEAARO CCOC(=O)c1ccc(NC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000067886215 215242167 /nfs/dbraw/zinc/24/21/67/215242167.db2.gz DJXIOMUBSWVAFL-SFHVURJKSA-N 1 0 331.416 2.471 50 0 EEAARO Cc1cnc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000067935195 215255001 /nfs/dbraw/zinc/25/50/01/215255001.db2.gz MAKLXNNQFHPZBO-CQSZACIVSA-N 1 0 328.391 2.176 50 0 EEAARO COCC[NH+]1CCC(CNC(=O)NCCCc2ccccc2)CC1 ZINC000038489556 213211115 /nfs/dbraw/zinc/21/11/15/213211115.db2.gz ZHNJUQMRKYMOSV-UHFFFAOYSA-N 1 0 333.476 2.277 50 0 EEAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2cc(C)no2)CC1 ZINC000096141896 237057746 /nfs/dbraw/zinc/05/77/46/237057746.db2.gz AUXIIOVHEGCRLD-UHFFFAOYSA-N 1 0 332.452 2.036 50 0 EEAARO CCOc1ccc([C@@H](C)Nc2nc(N)nc3c2CC[NH2+]CC3)cc1F ZINC000072407400 216198306 /nfs/dbraw/zinc/19/83/06/216198306.db2.gz XJRXLYBQOZXYSG-LLVKDONJSA-N 1 0 345.422 2.458 50 0 EEAARO O=C(c1cccc2cc[nH]c21)N1CCC([N@@H+]2CCC[C@H](O)C2)CC1 ZINC000072417996 216205956 /nfs/dbraw/zinc/20/59/56/216205956.db2.gz WHLYHFGGWHBENX-INIZCTEOSA-N 1 0 327.428 2.229 50 0 EEAARO O[C@]12CCCC[C@H]1CN(c1nc(C3CC3)nc3c1CC[NH2+]CC3)CC2 ZINC000072431312 216224161 /nfs/dbraw/zinc/22/41/61/216224161.db2.gz RKOUVULDLCDQPS-YWZLYKJASA-N 1 0 342.487 2.174 50 0 EEAARO C[NH+](C)C[C@@]1(O)CCCN(Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000072436454 216231121 /nfs/dbraw/zinc/23/11/21/216231121.db2.gz RFEFCPHSKRPXTH-HNNXBMFYSA-N 1 0 332.366 2.474 50 0 EEAARO CC[NH+](CC)CCc1nnc(NC(=O)NC[C@H]2CCCCO2)s1 ZINC000023430166 212376351 /nfs/dbraw/zinc/37/63/51/212376351.db2.gz FXESMUBWXATAHU-GFCCVEGCSA-N 1 0 341.481 2.113 50 0 EEAARO Cc1c(CN2CC[N@H+](Cc3ccccc3C)[C@@H](CCO)C2)cnn1C ZINC000022919859 212334145 /nfs/dbraw/zinc/33/41/45/212334145.db2.gz UYFFIVCMNKCACN-FQEVSTJZSA-N 1 0 342.487 2.106 50 0 EEAARO COc1ccc(-n2cccn2)c(C[N@H+](C)CCN2CCCCC2=O)c1 ZINC000215110277 241104329 /nfs/dbraw/zinc/10/43/29/241104329.db2.gz PRFVVUMJHGCCJR-UHFFFAOYSA-N 1 0 342.443 2.325 50 0 EEAARO O[C@H]1C[C@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@H]2C[C@@H]1O ZINC000216184520 241171413 /nfs/dbraw/zinc/17/14/13/241171413.db2.gz JNLMBHWZLFDVDC-CRWXNKLISA-N 1 0 331.334 2.149 50 0 EEAARO CCc1nccn1CCCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000426359087 241263329 /nfs/dbraw/zinc/26/33/29/241263329.db2.gz PMNBWSFFZMAXKD-MRXNPFEDSA-N 1 0 333.480 2.105 50 0 EEAARO O=C(NCC1(c2ccccc2)CCOCC1)N1C[C@@H]2CC[C@H]1C[NH2+]C2 ZINC000426403520 241276572 /nfs/dbraw/zinc/27/65/72/241276572.db2.gz NNFUZDSHCRPBAH-AEFFLSMTSA-N 1 0 343.471 2.128 50 0 EEAARO COc1ccccc1OCCSc1nnc([C@H]2CCC[NH2+]C2)n1C ZINC000426487603 241297259 /nfs/dbraw/zinc/29/72/59/241297259.db2.gz UXBCGVSMWOHBMG-ZDUSSCGKSA-N 1 0 348.472 2.462 50 0 EEAARO CCN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@@H]([NH+](C)C)C1 ZINC000244641253 243051883 /nfs/dbraw/zinc/05/18/83/243051883.db2.gz GMIFHPJOLUUYJW-CYBMUJFWSA-N 1 0 341.858 2.464 50 0 EEAARO Cc1nc2c(c(=O)[nH]1)CC[N@H+](Cc1cc(-c3ccncc3)no1)CC2 ZINC000253537375 244016631 /nfs/dbraw/zinc/01/66/31/244016631.db2.gz SHQIKPLOXYJKNY-UHFFFAOYSA-N 1 0 337.383 2.141 50 0 EEAARO CCc1ccc(C[NH+]2CCC(Cn3cc([C@@H](C)O)nn3)CC2)nc1 ZINC000020210988 212112720 /nfs/dbraw/zinc/11/27/20/212112720.db2.gz PQZHCOMVPGVGQI-CQSZACIVSA-N 1 0 329.448 2.201 50 0 EEAARO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[N@@H+](C)[C@@H](CCO)C1 ZINC000020206751 212111924 /nfs/dbraw/zinc/11/19/24/212111924.db2.gz RYADNHRPMVRZJM-SFHVURJKSA-N 1 0 346.450 2.127 50 0 EEAARO O=C(CCc1nc2cccnc2[nH]1)NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000079191907 217200161 /nfs/dbraw/zinc/20/01/61/217200161.db2.gz DIUWVPAWFJFQPU-GOEBONIOSA-N 1 0 341.459 2.271 50 0 biogenic EEAARO Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)o1 ZINC000012714999 211438640 /nfs/dbraw/zinc/43/86/40/211438640.db2.gz SAKDJTFZAQMBEB-IBGZPJMESA-N 1 0 346.402 2.370 50 0 EEAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc(F)c(Cl)c2)C[C@@H]1CO ZINC000091536983 218018668 /nfs/dbraw/zinc/01/86/68/218018668.db2.gz YFHSSEUWUYSUND-CHWSQXEVSA-N 1 0 328.815 2.111 50 0 EEAARO COc1ccc2c(c1)OC[C@H](CNC(=O)C[N@H+](C)C1CCCC1)C2 ZINC000091644639 218037280 /nfs/dbraw/zinc/03/72/80/218037280.db2.gz ZUSVZWSYVPCWJD-AWEZNQCLSA-N 1 0 332.444 2.237 50 0 EEAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)C1([NH3+])CC1 ZINC000091655870 218041499 /nfs/dbraw/zinc/04/14/99/218041499.db2.gz XBFJASACUNSDHF-CYBMUJFWSA-N 1 0 331.464 2.224 50 0 EEAARO CC(=O)N[C@@H](C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)C(C)C ZINC000010456565 211174147 /nfs/dbraw/zinc/17/41/47/211174147.db2.gz NIKUSVAGDXBVIY-LJQANCHMSA-N 1 0 345.487 2.449 50 0 EEAARO CCO[C@@H]1C[C@H](O)C12CC[NH+](Cc1c(CC)nn(C)c1CC)CC2 ZINC000093614528 218235608 /nfs/dbraw/zinc/23/56/08/218235608.db2.gz HWDIFFNVTDGDLS-ZWKOTPCHSA-N 1 0 335.492 2.297 50 0 EEAARO CSCc1noc(CNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)n1 ZINC000095361288 218294042 /nfs/dbraw/zinc/29/40/42/218294042.db2.gz ZQFXVRWFHKKESE-LBPRGKRZSA-N 1 0 338.477 2.203 50 0 EEAARO Cc1c[nH+]ccc1NCCNC(=O)[C@H](c1ccc(F)cc1)N(C)C ZINC000095371451 218304104 /nfs/dbraw/zinc/30/41/04/218304104.db2.gz YNNIVXSIPCJQMX-KRWDZBQOSA-N 1 0 330.407 2.360 50 0 EEAARO O=C(NCc1cnn2cccnc12)C1CC[NH+](C2CCCCC2)CC1 ZINC000095380928 218313263 /nfs/dbraw/zinc/31/32/63/218313263.db2.gz VPEFSRHVQHJXMU-UHFFFAOYSA-N 1 0 341.459 2.390 50 0 EEAARO C[NH+]1CCC(O)(C(=O)NCCCSc2ccc(Cl)cc2)CC1 ZINC000097295316 219009667 /nfs/dbraw/zinc/00/96/67/219009667.db2.gz HXVUPFLQPOQXRV-UHFFFAOYSA-N 1 0 342.892 2.395 50 0 EEAARO O=C(c1cn2ccsc2n1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097402307 219021942 /nfs/dbraw/zinc/02/19/42/219021942.db2.gz UEMKQLNBSMBTBK-UHFFFAOYSA-N 1 0 336.486 2.049 50 0 EEAARO CNc1cc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)ccn1 ZINC000097468211 219026369 /nfs/dbraw/zinc/02/63/69/219026369.db2.gz QCCUHHIBBRNBSW-UHFFFAOYSA-N 1 0 334.489 2.213 50 0 EEAARO O=S(=O)(Cc1ccccc1)N1CCC([NH2+]Cc2ccco2)CC1 ZINC000117948205 221101999 /nfs/dbraw/zinc/10/19/99/221101999.db2.gz CEQDVCXBUMDQMY-UHFFFAOYSA-N 1 0 334.441 2.364 50 0 EEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)Cc3cccc(O)c3)cc2C1 ZINC000299770518 258083358 /nfs/dbraw/zinc/08/33/58/258083358.db2.gz SVJJLVYUTDBFEG-UHFFFAOYSA-N 1 0 342.443 2.063 50 0 EEAARO CSCC[NH+]1CCC(NC(=O)[C@@H](C)n2cc(Cl)cn2)CC1 ZINC000299774869 258085682 /nfs/dbraw/zinc/08/56/82/258085682.db2.gz IZRFNIILJVOJAH-LLVKDONJSA-N 1 0 330.885 2.041 50 0 EEAARO CCCc1ncncc1C(=O)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000299801008 258104186 /nfs/dbraw/zinc/10/41/86/258104186.db2.gz UQXAWOIOBJLROQ-UHFFFAOYSA-N 1 0 339.443 2.219 50 0 EEAARO O=C(Nc1ccc2c[nH]nc2c1)NC1CC[NH+](C2CCOCC2)CC1 ZINC000299803047 258105495 /nfs/dbraw/zinc/10/54/95/258105495.db2.gz VJDOHODFTPLPLS-UHFFFAOYSA-N 1 0 343.431 2.328 50 0 EEAARO 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/nfs/dbraw/zinc/07/21/80/258072180.db2.gz AXLMFLDFUYUVOA-OAHLLOKOSA-N 1 0 331.441 2.050 50 0 EEAARO Cc1noc([C@@H]2CCN(C(=O)CCC[NH+]3Cc4ccccc4C3)C2)n1 ZINC000299756793 258075023 /nfs/dbraw/zinc/07/50/23/258075023.db2.gz HFFSRVNNYFLHNX-QGZVFWFLSA-N 1 0 340.427 2.490 50 0 EEAARO CCCc1c(C)nc(N2CC[NH+](Cc3ccccc3)CC2)[nH]c1=O ZINC000054244979 132190553 /nfs/dbraw/zinc/19/05/53/132190553.db2.gz ZNMUQVQDLOKEMS-UHFFFAOYSA-N 1 0 326.444 2.353 50 0 EEAARO Cc1cc2nc(C(C)C)cc(N3CCC[C@](O)(C[NH+](C)C)C3)n2n1 ZINC000072421301 280704369 /nfs/dbraw/zinc/70/43/69/280704369.db2.gz MWJIVPLNJCMCKH-SFHVURJKSA-N 1 0 331.464 2.054 50 0 EEAARO Cc1nc(N)nc(C)c1CC(=O)N(CC[NH+]1CCCCCC1)C(C)C ZINC000055212049 302597609 /nfs/dbraw/zinc/59/76/09/302597609.db2.gz NMPQPYJVRFKZAD-UHFFFAOYSA-N 1 0 347.507 2.331 50 0 EEAARO COc1cccc(OCCN(C)C(=O)N[C@@H](C)C[NH+]2CCCC2)c1 ZINC000534657460 468270868 /nfs/dbraw/zinc/27/08/68/468270868.db2.gz OPCFVTBWEQKXCA-HNNXBMFYSA-N 1 0 335.448 2.200 50 0 EEAARO C[C@@H](c1ccncn1)N(C)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000534673828 468273261 /nfs/dbraw/zinc/27/32/61/468273261.db2.gz GXFTZQHHKWGKHE-AWEZNQCLSA-N 1 0 327.432 2.441 50 0 EEAARO O=C1C[C@@H]([NH2+]C[C@@H](O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000000032905 462539865 /nfs/dbraw/zinc/53/98/65/462539865.db2.gz BBRLJLXEHHYMHB-HZPDHXFCSA-N 1 0 344.798 2.295 50 0 EEAARO COc1ccc(OC)c(NC(=O)CSC2=[NH+]CC(C)(C)CN2)c1 ZINC000003259162 462613961 /nfs/dbraw/zinc/61/39/61/462613961.db2.gz NJXMOZYOMZRKFB-UHFFFAOYSA-N 1 0 337.445 2.361 50 0 EEAARO C[N@H+](CCNC(=O)[C@H]1CC(=O)N(C2CCCC2)C1)Cc1ccccc1 ZINC000004706430 462636215 /nfs/dbraw/zinc/63/62/15/462636215.db2.gz VVMITETXELOSEL-KRWDZBQOSA-N 1 0 343.471 2.026 50 0 EEAARO COc1ccc([C@H](C[NH2+]C[C@H](O)CO)c2c[nH]c3ccccc32)cc1 ZINC000006787581 462704800 /nfs/dbraw/zinc/70/48/00/462704800.db2.gz UVJSDAPODUUICQ-YJBOKZPZSA-N 1 0 340.423 2.251 50 0 EEAARO Cc1cc(N(C)C)nc(NCCNC(=O)Nc2ccccc2C)[nH+]1 ZINC000065362124 462757799 /nfs/dbraw/zinc/75/77/99/462757799.db2.gz RRAVQUHJADRULV-UHFFFAOYSA-N 1 0 328.420 2.393 50 0 EEAARO CCc1cc(NCc2cccc(C(=O)N(C)C)c2)nc(N(C)C)[nH+]1 ZINC000065369740 462758938 /nfs/dbraw/zinc/75/89/38/462758938.db2.gz RDSBUWURWDMPIP-UHFFFAOYSA-N 1 0 327.432 2.419 50 0 EEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1noc(Cc2ccccc2)n1 ZINC000065374916 462759304 /nfs/dbraw/zinc/75/93/04/462759304.db2.gz DALOUMDJAUNLPU-OAHLLOKOSA-N 1 0 328.416 2.151 50 0 EEAARO CC[C@@H](NC(=O)c1cc2n(n1)CCC[NH2+]C2)c1nc(C)c(C)s1 ZINC000065384388 462760700 /nfs/dbraw/zinc/76/07/00/462760700.db2.gz GSJOVUIVMQRIMH-CYBMUJFWSA-N 1 0 333.461 2.331 50 0 EEAARO COCC[N@@H+]1CC[C@H](C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000065459875 462774695 /nfs/dbraw/zinc/77/46/95/462774695.db2.gz MOZAXUDIRJSGTP-ZDUSSCGKSA-N 1 0 333.457 2.223 50 0 EEAARO CNC(=O)c1ccc(C[NH2+]CC(=O)Nc2cc(C)ccc2F)cc1 ZINC000065501544 462783425 /nfs/dbraw/zinc/78/34/25/462783425.db2.gz UKAKYPGGCCJTML-UHFFFAOYSA-N 1 0 329.375 2.222 50 0 EEAARO CCNC(=O)NC(=O)C[N@H+](Cc1ccc2c(c1)OCO2)C1CCCC1 ZINC000008851667 462796503 /nfs/dbraw/zinc/79/65/03/462796503.db2.gz DOASJXNIBNLREZ-UHFFFAOYSA-N 1 0 347.415 2.006 50 0 EEAARO CC[NH+]1CCN(c2nc(C)c(Cc3ccc(C)cc3)c(=O)[nH]2)CC1 ZINC000009698245 462805282 /nfs/dbraw/zinc/80/52/82/462805282.db2.gz YNYNDCGMRWQCFA-UHFFFAOYSA-N 1 0 326.444 2.119 50 0 EEAARO CC[NH+](CC)CCNC(=O)CCc1nnc(Cc2cccc(C)c2)o1 ZINC000012716586 462864522 /nfs/dbraw/zinc/86/45/22/462864522.db2.gz YMHSCQSRGZKLCV-UHFFFAOYSA-N 1 0 344.459 2.359 50 0 EEAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](C[C@@H](O)CO)CC1 ZINC000012744811 462865385 /nfs/dbraw/zinc/86/53/85/462865385.db2.gz KFOPQERETVRUJK-GOSISDBHSA-N 1 0 349.471 2.008 50 0 EEAARO O=C(NCC[NH+]1CCCCC1)[C@@H]1CCCN1C(=O)C1CCCCC1 ZINC000048220969 462875618 /nfs/dbraw/zinc/87/56/18/462875618.db2.gz ZQFXTEQICNMPOC-KRWDZBQOSA-N 1 0 335.492 2.160 50 0 EEAARO O=C(C[N@H+]1CCC[C@@H](O)C1)N1CCC(Cc2ccc(F)cc2)CC1 ZINC000077342482 462971478 /nfs/dbraw/zinc/97/14/78/462971478.db2.gz USFXYMZSOMWKTJ-GOSISDBHSA-N 1 0 334.435 2.064 50 0 EEAARO CNc1nc(N2CC[NH+](CCc3ccccc3)CC2)nc2c1CCC2 ZINC000067740933 463045325 /nfs/dbraw/zinc/04/53/25/463045325.db2.gz DDENKGYOWOACOR-UHFFFAOYSA-N 1 0 337.471 2.372 50 0 EEAARO CC(C)(CO)C[N@@H+]1CCC[C@@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000022918720 463058191 /nfs/dbraw/zinc/05/81/91/463058191.db2.gz XPXYBNYGYNZVQW-LJQANCHMSA-N 1 0 349.494 2.431 50 0 EEAARO Nc1ncccc1C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000095498898 463095253 /nfs/dbraw/zinc/09/52/53/463095253.db2.gz JEYQRCSELIUMNC-CQSZACIVSA-N 1 0 342.418 2.445 50 0 EEAARO COC(=O)c1c(C)[nH]c(C(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1C ZINC000024977523 463104362 /nfs/dbraw/zinc/10/43/62/463104362.db2.gz XEWHIYBZWZYJQD-OAHLLOKOSA-N 1 0 343.427 2.451 50 0 EEAARO CCc1c2ccccc2[nH]c1C(=O)NCC[N@@H+]1CCC[C@H](CO)C1 ZINC000097137287 463332523 /nfs/dbraw/zinc/33/25/23/463332523.db2.gz MPWSHEMXDPGSLP-AWEZNQCLSA-N 1 0 329.444 2.164 50 0 EEAARO CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000034873360 463430045 /nfs/dbraw/zinc/43/00/45/463430045.db2.gz FTHCZXKAEXOKTO-CVEARBPZSA-N 1 0 331.460 2.498 50 0 EEAARO CN(C[C@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1c(Cl)cnn1C ZINC000082108481 463515691 /nfs/dbraw/zinc/51/56/91/463515691.db2.gz NSAZMECTYFYRTI-CQSZACIVSA-N 1 0 332.835 2.202 50 0 EEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCn1cc(Cl)cn1 ZINC000082108334 463515956 /nfs/dbraw/zinc/51/59/56/463515956.db2.gz XIKPGIKTOBKEPL-KRWDZBQOSA-N 1 0 346.862 2.442 50 0 EEAARO Cc1nc(N(C)C)ncc1C(=O)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000082134268 463517999 /nfs/dbraw/zinc/51/79/99/463517999.db2.gz XRKXILGMADKISL-UHFFFAOYSA-N 1 0 345.491 2.332 50 0 EEAARO Cc1[nH]c2ccc(C)cc2c1CC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106517179 463520532 /nfs/dbraw/zinc/52/05/32/463520532.db2.gz RUVQDLJCUIBVTB-HOTGVXAUSA-N 1 0 341.455 2.307 50 0 EEAARO Cc1cnn(C[C@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccccc2)c1 ZINC000106785779 463534831 /nfs/dbraw/zinc/53/48/31/463534831.db2.gz JSHGWIYFRPDCNS-RTBURBONSA-N 1 0 329.444 2.234 50 0 EEAARO Cn1cc([C@@H]([NH2+]C2CCN(Cc3ccco3)CC2)[C@H]2C[C@H](O)C2)cn1 ZINC000220167100 464115919 /nfs/dbraw/zinc/11/59/19/464115919.db2.gz BZBRNJOBUJCTMD-YJLNNSPDSA-N 1 0 344.459 2.079 50 0 EEAARO CCOc1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)o1 ZINC000220646303 464118445 /nfs/dbraw/zinc/11/84/45/464118445.db2.gz LKXUVCKJVORPTF-HNNXBMFYSA-N 1 0 336.432 2.395 50 0 EEAARO Cc1ccc(OC2CN(C(=O)CC[C@@H](C)[NH+]3CCN(C)CC3)C2)cc1 ZINC000221167511 464120159 /nfs/dbraw/zinc/12/01/59/464120159.db2.gz SAUNKKWFGVLDED-QGZVFWFLSA-N 1 0 345.487 2.001 50 0 EEAARO O=C(CC1CC[NH+](Cc2ccccc2)CC1)NCCc1cn[nH]c1 ZINC000221327465 464120940 /nfs/dbraw/zinc/12/09/40/464120940.db2.gz XIIHPMPHUNRPES-UHFFFAOYSA-N 1 0 326.444 2.371 50 0 EEAARO CCc1ccccc1OCCN(C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000223034037 464135762 /nfs/dbraw/zinc/13/57/62/464135762.db2.gz JOVRJQLVXAPHOK-UHFFFAOYSA-N 1 0 341.459 2.341 50 0 EEAARO COc1cc(CCC(=O)N(C)C[C@H]2CCC[N@@H+]3CCCC[C@@H]23)on1 ZINC000299754366 465883682 /nfs/dbraw/zinc/88/36/82/465883682.db2.gz DCFUEOJYQUYAEN-ZBFHGGJFSA-N 1 0 335.448 2.339 50 0 biogenic EEAARO C[C@H](NC1CC[NH+](CCc2ccccc2)CC1)c1nnc(N)s1 ZINC000584891750 468956676 /nfs/dbraw/zinc/95/66/76/468956676.db2.gz GPHGRJAJZSTFKM-ZDUSSCGKSA-N 1 0 331.489 2.478 50 0 EEAARO C[C@H](c1ccncc1)N(C)C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000584897512 468958787 /nfs/dbraw/zinc/95/87/87/468958787.db2.gz MOTVLEDELNCZAB-OAHLLOKOSA-N 1 0 334.464 2.285 50 0 EEAARO NC(=O)[C@H]1CCC[N@H+](Cc2ccc(NCc3cc[nH]c(=O)c3)cc2)C1 ZINC000585136985 468987850 /nfs/dbraw/zinc/98/78/50/468987850.db2.gz BJSVQFDJZXOPBK-INIZCTEOSA-N 1 0 340.427 2.097 50 0 EEAARO C[NH+]1CCC(N2CCN(C(=O)NCCCc3ccccc3)CC2)CC1 ZINC000426538307 536339587 /nfs/dbraw/zinc/33/95/87/536339587.db2.gz FQMMAEZTQAGORP-UHFFFAOYSA-N 1 0 344.503 2.041 50 0 EEAARO COc1ccc(-n2c(C[NH3+])nnc2SC[C@H]2CCCCO2)cc1 ZINC000426677844 536552121 /nfs/dbraw/zinc/55/21/21/536552121.db2.gz VEXMZUCXKPCFNN-CQSZACIVSA-N 1 0 334.445 2.396 50 0 EEAARO OC[C@@H]1CCCC[N@@H+]1CCNc1nnc(CSc2ccncc2)o1 ZINC001772707441 1179295641 /nfs/dbraw/zinc/29/56/41/1179295641.db2.gz ZSISQWZPITYDFE-ZDUSSCGKSA-N 1 0 349.460 2.016 50 0 EEAARO O=C(Nc1ccc(Cl)cc1Cl)N1C[C@@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772708029 1179296035 /nfs/dbraw/zinc/29/60/35/1179296035.db2.gz BXVDQXYNJUYSFY-XPTSAGLGSA-N 1 0 330.215 2.039 50 0 EEAARO C[C@@H]1C(=O)N2CCC[C@@H]2CN1C(=O)CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC001772707397 1179296153 /nfs/dbraw/zinc/29/61/53/1179296153.db2.gz ZHLQRQWGECYLAY-XMTFNYHQSA-N 1 0 347.503 2.253 50 0 EEAARO CC[N@H+](Cc1ccccc1)C1CCN(c2nnc(CNC)o2)CC1 ZINC001772709432 1179299516 /nfs/dbraw/zinc/29/95/16/1179299516.db2.gz NEMZJVYEGLTGEB-UHFFFAOYSA-N 1 0 329.448 2.280 50 0 EEAARO C[N@H+](Cc1ccno1)C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000015066164 1226502848 /nfs/dbraw/zinc/50/28/48/1226502848.db2.gz WNSQSBKZCVWNSJ-SFHVURJKSA-N 1 0 335.448 2.040 50 0 EEAARO Cc1nc(CC[NH+]2CCC([C@@H](O)c3nccn3C)CC2)c(C)s1 ZINC000020865459 1229627477 /nfs/dbraw/zinc/62/74/77/1229627477.db2.gz GJFYIRFBQRZSME-MRXNPFEDSA-N 1 0 334.489 2.482 50 0 EEAARO [NH3+]Cc1cn(C2CCN(C(=O)c3csc4c3CCCC4)CC2)nn1 ZINC000020995874 1229648902 /nfs/dbraw/zinc/64/89/02/1229648902.db2.gz RNFYWNMLJDSERD-UHFFFAOYSA-N 1 0 345.472 2.154 50 0 EEAARO O=c1c2ccc(Cl)cc2ncn1CCC[N@H+]1CCC[C@@H](CO)C1 ZINC000199289238 783016176 /nfs/dbraw/zinc/01/61/76/783016176.db2.gz IBFGJOCAMIPDCN-CYBMUJFWSA-N 1 0 335.835 2.144 50 0 EEAARO Cc1cccc(CN2CC[C@H]([N@H+](C)C[C@@H]3COCCO3)CCC2=O)c1 ZINC000043127695 791100022 /nfs/dbraw/zinc/10/00/22/791100022.db2.gz CUZHEQQHZMCNBO-RTBURBONSA-N 1 0 346.471 2.223 50 0 EEAARO CC(C)[NH+]1CCC(C(=O)NCC2(O)C3CC4CC(C3)CC2C4)CC1 ZINC000952965977 796086850 /nfs/dbraw/zinc/08/68/50/796086850.db2.gz VFUDPDKVBKGHBR-UHFFFAOYSA-N 1 0 334.504 2.410 50 0 EEAARO Cc1nc(CC(=O)NC[C@H]2CCCN(c3cc[nH+]cc3)C2)cs1 ZINC000952978482 796125445 /nfs/dbraw/zinc/12/54/45/796125445.db2.gz LUACMLLOLNQVIG-CQSZACIVSA-N 1 0 330.457 2.422 50 0 EEAARO COc1ncc(C[N@@H+]2CC[C@]3(C2)CCCN(CC(C)(C)C)C3=O)cn1 ZINC000011842654 798717919 /nfs/dbraw/zinc/71/79/19/798717919.db2.gz QMFKJRGQEUMBIU-IBGZPJMESA-N 1 0 346.475 2.346 50 0 EEAARO CCc1nnc(CN(C)C(=O)CCC[NH+]2Cc3ccccc3C2)o1 ZINC000823565330 798748306 /nfs/dbraw/zinc/74/83/06/798748306.db2.gz YHONEZCNMRSEJN-UHFFFAOYSA-N 1 0 328.416 2.386 50 0 EEAARO Cc1nn[nH]c1C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000828214613 800639988 /nfs/dbraw/zinc/63/99/88/800639988.db2.gz NHUOXZWURZAXMY-INIZCTEOSA-N 1 0 327.432 2.460 50 0 EEAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)c2cccc(N)n2)CC1 ZINC001506428824 1114604622 /nfs/dbraw/zinc/60/46/22/1114604622.db2.gz QXBWUQHUUHLECT-UHFFFAOYSA-N 1 0 338.455 2.443 50 0 EEAARO COc1cc2c(cc1C[N@H+]1C[C@@H](Cc3cnccn3)[C@H](O)C1)CCC2 ZINC001529172424 1121354110 /nfs/dbraw/zinc/35/41/10/1121354110.db2.gz LPXYUXZUVFHWRE-VQIMIIECSA-N 1 0 339.439 2.009 50 0 EEAARO COc1cc(F)c(C[N@@H+]2C[C@H](O)[C@H](Cc3ccncc3)C2)cc1OC ZINC001529196304 1121365169 /nfs/dbraw/zinc/36/51/69/1121365169.db2.gz XYNNZBXWIGHELB-WBVHZDCISA-N 1 0 346.402 2.273 50 0 EEAARO [NH3+]CC[C@H]1CN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CCO1 ZINC000097681939 219047964 /nfs/dbraw/zinc/04/79/64/219047964.db2.gz GCJAPSSSAIBZPI-LBPRGKRZSA-N 1 0 335.301 2.426 50 0 EEAARO Cc1cc2oc(=O)cc(C[NH+]3CCC4(CC3)OCCO4)c2cc1O ZINC000054105961 214216514 /nfs/dbraw/zinc/21/65/14/214216514.db2.gz QSKBMXSBCJZJLC-UHFFFAOYSA-N 1 0 331.368 2.146 50 0 biogenic EEAARO CNC(=O)c1ccc(C[NH2+]CC(=O)NC2CCCCCCC2)cc1 ZINC000065526190 214946278 /nfs/dbraw/zinc/94/62/78/214946278.db2.gz PQPBWYWVTYJWEX-UHFFFAOYSA-N 1 0 331.460 2.365 50 0 EEAARO Cc1cc(C(=O)N2CCCN(c3cc[nH+]cc3C)CC2)nc(C)n1 ZINC000065535922 214950980 /nfs/dbraw/zinc/95/09/80/214950980.db2.gz JZHZOZSCMWAVND-UHFFFAOYSA-N 1 0 325.416 2.149 50 0 EEAARO COc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccco3)C2)ccn1 ZINC000067672918 215177206 /nfs/dbraw/zinc/17/72/06/215177206.db2.gz BTYIJWNLGWADDL-CQSZACIVSA-N 1 0 329.400 2.325 50 0 EEAARO Cc1c2cccc(C)c2[nH]c1C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC000067674490 215179551 /nfs/dbraw/zinc/17/95/51/215179551.db2.gz QDTTXLLSMSOUGW-AWEZNQCLSA-N 1 0 335.473 2.156 50 0 EEAARO CC(C)CNc1ccc(C(=O)N2CCC([NH+]3CCOCC3)CC2)cn1 ZINC000067674508 215179592 /nfs/dbraw/zinc/17/95/92/215179592.db2.gz DLWCRWYQTCNXGQ-UHFFFAOYSA-N 1 0 346.475 2.086 50 0 EEAARO COc1ccc2ccccc2c1C[N@@H+]1CC[C@@H](CNS(C)(=O)=O)C1 ZINC000067676032 215180353 /nfs/dbraw/zinc/18/03/53/215180353.db2.gz RXTUCMCIVIQENB-AWEZNQCLSA-N 1 0 348.468 2.220 50 0 EEAARO CC(=O)NC[C@H]1CCC[N@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000067714572 215192839 /nfs/dbraw/zinc/19/28/39/215192839.db2.gz KNHXUKDTMCZZKD-LJQANCHMSA-N 1 0 326.444 2.280 50 0 EEAARO CS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3ccccn3)cc2)C1 ZINC000067692377 215187973 /nfs/dbraw/zinc/18/79/73/215187973.db2.gz WOWXSARKZBBLPH-INIZCTEOSA-N 1 0 345.468 2.120 50 0 EEAARO OCCN(Cc1ccccc1F)c1cc(C2CC[NH2+]CC2)ncn1 ZINC000067756043 215204324 /nfs/dbraw/zinc/20/43/24/215204324.db2.gz WHYRMDNZLKBRTP-UHFFFAOYSA-N 1 0 330.407 2.082 50 0 EEAARO [NH3+]C[C@H]1Cc2cc(F)cc(-c3cc(C(=O)N4CCCC4)ccn3)c2O1 ZINC000067755786 215205325 /nfs/dbraw/zinc/20/53/25/215205325.db2.gz LQDIHWSBLRYBAF-OAHLLOKOSA-N 1 0 341.386 2.386 50 0 EEAARO C[N@@H+]1CCC[C@H](CCNC(=O)Cn2ccnc2-c2ccccc2)C1 ZINC000067842005 215226908 /nfs/dbraw/zinc/22/69/08/215226908.db2.gz OGBPXQMHYZRJLG-MRXNPFEDSA-N 1 0 326.444 2.398 50 0 EEAARO Cc1ccc(C[N@@H+]2CCC[C@H](CNS(C)(=O)=O)C2)c2cccnc12 ZINC000067855068 215233676 /nfs/dbraw/zinc/23/36/76/215233676.db2.gz HKVWVSNXDJIHSC-OAHLLOKOSA-N 1 0 347.484 2.304 50 0 EEAARO CC[C@@H]1CN(C(=O)c2coc(COc3cccc(OC)c3)n2)CC[NH2+]1 ZINC000067872583 215237872 /nfs/dbraw/zinc/23/78/72/215237872.db2.gz HLPNXPGYMXPTQT-CYBMUJFWSA-N 1 0 345.399 2.086 50 0 EEAARO C[N@@H+]1CCN(Cc2cnn(-c3cccc(Cl)c3)c2)C[C@H]1CCO ZINC000104535777 219393042 /nfs/dbraw/zinc/39/30/42/219393042.db2.gz WUGPNEHBWNOJKY-QGZVFWFLSA-N 1 0 334.851 2.024 50 0 EEAARO Nc1nc(=O)n(CC[NH+]2CCCCC2)c2sc3c(c21)CCCC3 ZINC000040285007 213287934 /nfs/dbraw/zinc/28/79/34/213287934.db2.gz VBXVWEVOESXCGZ-UHFFFAOYSA-N 1 0 332.473 2.405 50 0 EEAARO CSCCC[N@@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039510218 213238397 /nfs/dbraw/zinc/23/83/97/213238397.db2.gz WMEYULMZVVQMRU-QGZVFWFLSA-N 1 0 326.481 2.447 50 0 EEAARO Cc1nc2ccccn2c1C(=O)NC[C@@H](c1cccn1C)[NH+](C)C ZINC000038674625 213221083 /nfs/dbraw/zinc/22/10/83/213221083.db2.gz MTTZAILNEUWLFT-HNNXBMFYSA-N 1 0 325.416 2.014 50 0 EEAARO CC(C)c1ccc(N2C[C@@H](C(=O)NCC[NH+]3CCCC3)CC2=O)cc1 ZINC000034917775 213000295 /nfs/dbraw/zinc/00/02/95/213000295.db2.gz CAGUMLNVATYNCR-KRWDZBQOSA-N 1 0 343.471 2.375 50 0 EEAARO C[C@H](O)c1cccc(N2CC[NH+](CCOc3ccccc3)CC2)n1 ZINC000096163693 237058186 /nfs/dbraw/zinc/05/81/86/237058186.db2.gz IMEBYHMEVQUDTF-INIZCTEOSA-N 1 0 327.428 2.336 50 0 EEAARO COc1cc(F)c(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c(F)c1 ZINC000072406808 216197117 /nfs/dbraw/zinc/19/71/17/216197117.db2.gz KAOJMMACUWXBDD-UHFFFAOYSA-N 1 0 347.365 2.253 50 0 EEAARO Fc1ccc(OC2CCN(c3ncnc4c3CC[NH2+]CC4)CC2)cc1 ZINC000072408758 216200039 /nfs/dbraw/zinc/20/00/39/216200039.db2.gz JOJNWWSFLRBPBG-UHFFFAOYSA-N 1 0 342.418 2.352 50 0 EEAARO Cc1ccc(CC(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)cc1 ZINC000072422206 216210140 /nfs/dbraw/zinc/21/01/40/216210140.db2.gz XWSBWIOUYSRKPL-KRWDZBQOSA-N 1 0 330.472 2.497 50 0 EEAARO c1cn(CCCNc2cccnc2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072453718 216240661 /nfs/dbraw/zinc/24/06/61/216240661.db2.gz ODZKXZCWFADWNX-UHFFFAOYSA-N 1 0 337.431 2.137 50 0 EEAARO CCOC(=O)c1cccc(OC[C@@H](O)C[NH2+][C@@H](C)c2ccccn2)c1 ZINC000023675675 212389256 /nfs/dbraw/zinc/38/92/56/212389256.db2.gz UAZUVFSIZWRFOJ-HOCLYGCPSA-N 1 0 344.411 2.349 50 0 EEAARO CCN1CCC([NH2+][C@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000023338520 212368484 /nfs/dbraw/zinc/36/84/84/212368484.db2.gz LKPGZTVCQDENPX-SFHVURJKSA-N 1 0 333.451 2.043 50 0 EEAARO C/C=C/c1ccc(OC[C@@H](O)CN2CC[NH+](CC)CC2)c(OC)c1 ZINC000022851686 212328653 /nfs/dbraw/zinc/32/86/53/212328653.db2.gz QLJPTIBDJFBVLD-YXMMZVCTSA-N 1 0 334.460 2.106 50 0 EEAARO COc1cc(CC(=O)NC[C@H]2C[N@H+](CC(C)C)CCO2)ccc1C ZINC000022693835 212317903 /nfs/dbraw/zinc/31/79/03/212317903.db2.gz NVAKVQGYHXXQED-KRWDZBQOSA-N 1 0 334.460 2.019 50 0 EEAARO C[C@@]1(O)CCC[N@H+](Cc2ccc(OCCCN3CCOCC3)cc2)C1 ZINC000215118492 241108759 /nfs/dbraw/zinc/10/87/59/241108759.db2.gz XTEOSNSZAUEWGS-HXUWFJFHSA-N 1 0 348.487 2.135 50 0 EEAARO COc1ccc2[nH]c(CN3CCOC[C@@H](C[NH+](C)C)C3)c(C)c2c1 ZINC000216199486 241175177 /nfs/dbraw/zinc/17/51/77/241175177.db2.gz SUQVCPJFDFDVEH-HNNXBMFYSA-N 1 0 331.460 2.495 50 0 EEAARO OCCn1ccc([C@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)n1 ZINC000426360236 241266506 /nfs/dbraw/zinc/26/65/06/241266506.db2.gz PIWRUNHINAIDAQ-AWEZNQCLSA-N 1 0 343.456 2.260 50 0 EEAARO CN(CC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1)C1CC[NH2+]CC1 ZINC000426378265 241271166 /nfs/dbraw/zinc/27/11/66/241271166.db2.gz VVQFBCALLZVMIM-GOSISDBHSA-N 1 0 329.488 2.322 50 0 EEAARO O=C(N[C@@H]1CCc2ccccc21)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000426412393 241279579 /nfs/dbraw/zinc/27/95/79/241279579.db2.gz QNRINZVHWDBVBJ-GOSISDBHSA-N 1 0 343.471 2.306 50 0 EEAARO CCn1ccc(CSc2nnc(C[NH3+])n2-c2ccc(F)cc2)n1 ZINC000426431078 241283118 /nfs/dbraw/zinc/28/31/18/241283118.db2.gz PZWBYSWRIVPVHC-UHFFFAOYSA-N 1 0 332.408 2.374 50 0 EEAARO CN1CC[NH+](CCC(=O)N[C@@H](CC(C)(C)C)c2cccnc2)CC1 ZINC000219493964 241391283 /nfs/dbraw/zinc/39/12/83/241391283.db2.gz PEAKQFHULCPLRC-KRWDZBQOSA-N 1 0 332.492 2.313 50 0 EEAARO CC(C)CCNC(=O)[C@]1(C)CCC(=O)N1CCC[NH+]1CCCCC1 ZINC000021776415 212248907 /nfs/dbraw/zinc/24/89/07/212248907.db2.gz RZLFNRRBCKCQMW-IBGZPJMESA-N 1 0 337.508 2.406 50 0 EEAARO COc1cccc(OCCN(C)c2cc(C3CC([NH3+])C3)ncn2)c1 ZINC000223234301 241619629 /nfs/dbraw/zinc/61/96/29/241619629.db2.gz ITDFDDJXUVWKIW-UHFFFAOYSA-N 1 0 328.416 2.205 50 0 EEAARO COc1ccc(CC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000021055701 212203673 /nfs/dbraw/zinc/20/36/73/212203673.db2.gz KUSHELZJUXSXGM-HUUCEWRRSA-N 1 0 334.460 2.242 50 0 EEAARO c1ccc(-c2nnc3n2CCN(CC[N@@H+]2C[C@H]4CC[C@@H]2C4)CC3)cc1 ZINC000244748712 243076522 /nfs/dbraw/zinc/07/65/22/243076522.db2.gz OMZITDUOPKLPLA-FUHWJXTLSA-N 1 0 337.471 2.288 50 0 EEAARO CC[NH+]1CCN(Cc2nc3cc(NC(=O)C(C)C)ccc3n2C)CC1 ZINC000020706894 212161244 /nfs/dbraw/zinc/16/12/44/212161244.db2.gz CBFOLVUHBPWVCI-UHFFFAOYSA-N 1 0 343.475 2.305 50 0 EEAARO CN1CC[NH+](CC(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000020365934 212122524 /nfs/dbraw/zinc/12/25/24/212122524.db2.gz PZRMPKAXNSVUPL-UHFFFAOYSA-N 1 0 332.394 2.448 50 0 EEAARO CCOc1c(Cl)cc(C[NH2+]CCN2CCOCC2)cc1OC ZINC000019872116 212077258 /nfs/dbraw/zinc/07/72/58/212077258.db2.gz GVDRKLHBQLUKNO-UHFFFAOYSA-N 1 0 328.840 2.169 50 0 EEAARO COc1ccccc1CC[NH2+][C@@H]1CC(=O)N(c2ccc(C)cc2)C1=O ZINC000019841207 212074175 /nfs/dbraw/zinc/07/41/75/212074175.db2.gz ANLAADGNSVYXCM-QGZVFWFLSA-N 1 0 338.407 2.468 50 0 EEAARO COc1ccc(CN2CC[N@@H+](C3CCOCC3)C[C@@H]2CCO)cc1C ZINC000019733145 212057865 /nfs/dbraw/zinc/05/78/65/212057865.db2.gz UILAWWXERQNVBG-IBGZPJMESA-N 1 0 348.487 2.051 50 0 EEAARO CC[NH2+]CC[C@@H]1CCC(=O)N1Cc1cnn(-c2ccccc2OC)c1 ZINC000014999507 211784951 /nfs/dbraw/zinc/78/49/51/211784951.db2.gz LJOFPLBGUHZPLP-INIZCTEOSA-N 1 0 342.443 2.372 50 0 EEAARO Cc1cccnc1C[NH2+]C[C@@]1(O)CCCN(CC2CCCCC2)C1=O ZINC000012302789 211339234 /nfs/dbraw/zinc/33/92/34/211339234.db2.gz QKZZXLQTKGYCBM-FQEVSTJZSA-N 1 0 345.487 2.413 50 0 EEAARO Cn1cc(C[NH2+][C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)cn1 ZINC000012021746 211278909 /nfs/dbraw/zinc/27/89/09/211278909.db2.gz YRWPBPWTBQYDAR-MRXNPFEDSA-N 1 0 332.835 2.007 50 0 EEAARO Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C[NH+](C)C ZINC000011944263 211273019 /nfs/dbraw/zinc/27/30/19/211273019.db2.gz MKFAFKNXUGMJHY-CYBMUJFWSA-N 1 0 333.480 2.293 50 0 EEAARO COc1ccc(C[N@H+]2C[C@@H](C(C)C)[C@H](NC(=O)N(C)C)C2)cc1OC ZINC000091586049 218025636 /nfs/dbraw/zinc/02/56/36/218025636.db2.gz BXOGEMIAPFOEOA-JKSUJKDBSA-N 1 0 349.475 2.431 50 0 EEAARO CCc1cnc(C)nc1N1CCC(c2nccn2CC[NH+](C)C)CC1 ZINC000091691698 218047542 /nfs/dbraw/zinc/04/75/42/218047542.db2.gz BYKKYPYKVOETMZ-UHFFFAOYSA-N 1 0 342.491 2.490 50 0 EEAARO O=C(NCC1CCCCC1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091695353 218049848 /nfs/dbraw/zinc/04/98/48/218049848.db2.gz LOKGMOGOBILOII-QZTJIDSGSA-N 1 0 337.508 2.303 50 0 EEAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)C(C)(C)[NH3+] ZINC000091663367 218042601 /nfs/dbraw/zinc/04/26/01/218042601.db2.gz GYKNGHKFLVPDPI-CYBMUJFWSA-N 1 0 333.480 2.470 50 0 EEAARO CN(C)C(=O)CN1C[C@H]2CC[C@H](C[N@H+]2CCSc2ccccc2)C1 ZINC000091664159 218043179 /nfs/dbraw/zinc/04/31/79/218043179.db2.gz SURWFFACQQOCCT-DLBZAZTESA-N 1 0 347.528 2.263 50 0 EEAARO Cc1ccc([C@H]2CN(C(=O)c3cc(=O)c4ccccc4o3)C[C@@H]2[NH3+])o1 ZINC000092097616 218118906 /nfs/dbraw/zinc/11/89/06/218118906.db2.gz HMHOXAAELYYHOX-KBPBESRZSA-N 1 0 338.363 2.261 50 0 EEAARO CN1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCC1=O ZINC000095368421 218301846 /nfs/dbraw/zinc/30/18/46/218301846.db2.gz WIOBBJFZOYAJLE-QGZVFWFLSA-N 1 0 329.444 2.023 50 0 EEAARO CC(C)(C)c1cc(CNC(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)[nH]n1 ZINC000095391845 218323860 /nfs/dbraw/zinc/32/38/60/218323860.db2.gz VOVPJWVTFKJYEA-AWEZNQCLSA-N 1 0 348.491 2.214 50 0 EEAARO COCCN1CC2(CCC1=O)CC[NH+](CC[C@@H](C)SC)CC2 ZINC000091847176 285008884 /nfs/dbraw/zinc/00/88/84/285008884.db2.gz FVLPRLSUWVOUGY-OAHLLOKOSA-N 1 0 328.522 2.479 50 0 EEAARO COc1cc(C)ccc1OCC[N@@H+]1CC[C@]2(OC)CC[C@H](O)C[C@H]12 ZINC000299770736 258083803 /nfs/dbraw/zinc/08/38/03/258083803.db2.gz QWQCOVUJYOOWKC-ZYSHUDEJSA-N 1 0 335.444 2.387 50 0 EEAARO CC(=O)Nc1nc(C(=O)NCc2ccccc2C[NH+](C)C)cs1 ZINC000031816565 258058291 /nfs/dbraw/zinc/05/82/91/258058291.db2.gz NZKBSUZGWMRKEL-UHFFFAOYSA-N 1 0 332.429 2.093 50 0 EEAARO CCC(CC)n1ncc(C)c1NC(=O)NC[C@H]1COCC[N@H+](C)C1 ZINC000299759000 258076889 /nfs/dbraw/zinc/07/68/89/258076889.db2.gz MOAJKKZKRYTBLE-CQSZACIVSA-N 1 0 337.468 2.252 50 0 EEAARO CN(Cc1cnccn1)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000278636680 269238121 /nfs/dbraw/zinc/23/81/21/269238121.db2.gz OREFDWRIZLMUOJ-LJQANCHMSA-N 1 0 326.444 2.200 50 0 EEAARO Cn1cc([C@H](NC2CC[NH+](C3CCCC3)CC2)[C@H]2C[C@@H](O)C2)cn1 ZINC000223865933 279349185 /nfs/dbraw/zinc/34/91/85/279349185.db2.gz QIWKZJIJEPPETA-NIKGAXFTSA-N 1 0 332.492 2.229 50 0 EEAARO CCn1c[n+](C[C@H](O)COc2ccc(OC)cc2)c2ccccc21 ZINC000000089066 462541698 /nfs/dbraw/zinc/54/16/98/462541698.db2.gz GEVRMJUIHAXDQS-HNNXBMFYSA-N 1 0 327.404 2.397 50 0 EEAARO CCn1c[n+](C[C@@H](O)COc2ccc(OC)cc2)c2ccccc21 ZINC000000089067 462541972 /nfs/dbraw/zinc/54/19/72/462541972.db2.gz GEVRMJUIHAXDQS-OAHLLOKOSA-N 1 0 327.404 2.397 50 0 EEAARO Cc1noc(COc2ccccc2OC[C@H](O)C[NH2+]C(C)(C)C)n1 ZINC000000006849 462540213 /nfs/dbraw/zinc/54/02/13/462540213.db2.gz CEDZURSVVKNCSL-CYBMUJFWSA-N 1 0 335.404 2.085 50 0 EEAARO O[C@@H](CN1CCOCC1)C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1 ZINC000127444822 462553185 /nfs/dbraw/zinc/55/31/85/462553185.db2.gz HLYAONSERBJZPS-GOSISDBHSA-N 1 0 336.863 2.122 50 0 EEAARO O[C@H](C[NH2+]CCCn1ccnc1)CO[C@@H]1CCCc2ccccc21 ZINC000006909462 462711594 /nfs/dbraw/zinc/71/15/94/462711594.db2.gz FQYMDDDUGIUPBL-IEBWSBKVSA-N 1 0 329.444 2.318 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)COc1cccc(Br)c1 ZINC000007724456 462747679 /nfs/dbraw/zinc/74/76/79/462747679.db2.gz UXJZKTZQDWCUEK-ZDUSSCGKSA-N 1 0 341.249 2.428 50 0 EEAARO Cc1sc2nc(CC[NH3+])nc(N(C)CC3(CO)CCC3)c2c1C ZINC000065387281 462762118 /nfs/dbraw/zinc/76/21/18/462762118.db2.gz KXWWMRKFSNEEDH-UHFFFAOYSA-N 1 0 334.489 2.408 50 0 EEAARO O[C@@H]1CCC[N@H+](CCNc2ncc3c(n2)CCN3c2ccccc2)C1 ZINC000065507737 462784918 /nfs/dbraw/zinc/78/49/18/462784918.db2.gz JAVHYIPOIQYGLW-MRXNPFEDSA-N 1 0 339.443 2.039 50 0 EEAARO COCCC[C@]1(CO)CCCN(c2cc(C)[nH+]c(N3CCCC3)n2)C1 ZINC000091390792 462876566 /nfs/dbraw/zinc/87/65/66/462876566.db2.gz GYEISJBZVFAZJV-LJQANCHMSA-N 1 0 348.491 2.391 50 0 EEAARO COCC[C@]1(CO)CCC[N@H+](Cc2cnc(N3CCCC3)s2)C1 ZINC000091548680 462888203 /nfs/dbraw/zinc/88/82/03/462888203.db2.gz 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ZINC000067846685 215229155 /nfs/dbraw/zinc/22/91/55/215229155.db2.gz ZWQLWCCRKCPOIY-OAHLLOKOSA-N 1 0 327.432 2.037 50 0 EEAARO Cc1cc(C[N@@H+]2CC[C@H](CNC(=O)C3(c4ccccc4)CC3)C2)[nH]n1 ZINC000067894197 215241802 /nfs/dbraw/zinc/24/18/02/215241802.db2.gz PJQVOAYFPLKPSQ-MRXNPFEDSA-N 1 0 338.455 2.388 50 0 EEAARO O=S(=O)(NC[C@@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1)C1CC1 ZINC000067896334 215243626 /nfs/dbraw/zinc/24/36/26/215243626.db2.gz TVNASBYBAMZGMW-AWEZNQCLSA-N 1 0 347.484 2.462 50 0 EEAARO Cc1cc(C)c(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)c(=O)[nH]1 ZINC000067881561 215241319 /nfs/dbraw/zinc/24/13/19/215241319.db2.gz LUUCCTYZBXRJEK-UHFFFAOYSA-N 1 0 337.383 2.058 50 0 EEAARO Cn1nccc1NC(=O)c1cccc(C[N@H+](C)CC2(C)COC2)c1 ZINC000067908160 215247446 /nfs/dbraw/zinc/24/74/46/215247446.db2.gz VYSGELBSGBUYFY-UHFFFAOYSA-N 1 0 328.416 2.141 50 0 EEAARO [NH3+]C[C@H](c1ccc2c(c1)OCO2)N1CCN(c2ccccc2F)CC1 ZINC000036657564 213108631 /nfs/dbraw/zinc/10/86/31/213108631.db2.gz LGYUKCRIFSKFEQ-QGZVFWFLSA-N 1 0 343.402 2.376 50 0 EEAARO C[C@H](C(=O)NCCC[NH+]1CCCC1)N1c2ccccc2CCCC1=O ZINC000033249662 212909554 /nfs/dbraw/zinc/90/95/54/212909554.db2.gz BMJVRGYZTBFVBU-MRXNPFEDSA-N 1 0 343.471 2.347 50 0 EEAARO COc1ccccc1[C@H]1CN(C(=O)CSC)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072144289 216030988 /nfs/dbraw/zinc/03/09/88/216030988.db2.gz LTFNDUVZAWQBPM-ATZDWAIDSA-N 1 0 346.496 2.447 50 0 EEAARO c1nc(C[N@@H+]2CCc3nc(CC4CC4)nc(NC4CC4)c3CC2)c[nH]1 ZINC000072408946 216199464 /nfs/dbraw/zinc/19/94/64/216199464.db2.gz YNLIIYPXYDAMIS-UHFFFAOYSA-N 1 0 338.459 2.327 50 0 EEAARO c1ccc(-c2nc3c(c(N[C@H]4CCSC4)n2)CC[NH2+]CC3)nc1 ZINC000072411085 216204042 /nfs/dbraw/zinc/20/40/42/216204042.db2.gz SZOWLXGAKUXIRZ-LBPRGKRZSA-N 1 0 327.457 2.144 50 0 EEAARO CSCCC[N@@H+]1CCC[C@@H](c2nnc(CN3CCCC3)n2C)C1 ZINC000072419011 216208015 /nfs/dbraw/zinc/20/80/15/216208015.db2.gz PGTNVACTHYQVAW-OAHLLOKOSA-N 1 0 337.537 2.343 50 0 EEAARO Cc1ccc2c(c1)c(Cn1ccnc1-c1cc3n(n1)CC[NH2+]C3)nn2C ZINC000072420518 216208984 /nfs/dbraw/zinc/20/89/84/216208984.db2.gz NCHSWNSVFAORIT-UHFFFAOYSA-N 1 0 347.426 2.093 50 0 EEAARO Cc1cc(C(=O)N2CCC([C@H](C)[NH+]3CCOCC3)CC2)ccc1O ZINC000072428830 216220657 /nfs/dbraw/zinc/22/06/57/216220657.db2.gz GWFGJYPVPZSLQQ-HNNXBMFYSA-N 1 0 332.444 2.274 50 0 EEAARO COc1ccccc1OCCCN(C)c1ncnc2c1CC[NH2+]CC2 ZINC000072428738 216220755 /nfs/dbraw/zinc/22/07/55/216220755.db2.gz YMKMMWPCDZIDIQ-UHFFFAOYSA-N 1 0 342.443 2.079 50 0 EEAARO Nc1nc2c(c(N3CCCC3)n1)CC[N@H+](C/C=C/c1ccco1)CC2 ZINC000072430412 216222416 /nfs/dbraw/zinc/22/24/16/216222416.db2.gz FICLMUVDMCDOEA-HWKANZROSA-N 1 0 339.443 2.366 50 0 EEAARO CSc1ncccc1C(=O)NCc1c(C)ncc2c1CC[NH2+]C2 ZINC000072431839 216224588 /nfs/dbraw/zinc/22/45/88/216224588.db2.gz LBBJYIKCXURMDG-UHFFFAOYSA-N 1 0 328.441 2.083 50 0 EEAARO CC(C)CCn1c(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)nc2cccnc21 ZINC000072431929 216225332 /nfs/dbraw/zinc/22/53/32/216225332.db2.gz UPHFSZCQSPUTJW-UONOGXRCSA-N 1 0 329.448 2.221 50 0 EEAARO O=C(N[C@H]1CC[C@H]1[NH2+]C1CCCC1)c1ccc(Cn2ccnc2)o1 ZINC000072436673 216232283 /nfs/dbraw/zinc/23/22/83/216232283.db2.gz OIFUCXLZYTZZBI-CVEARBPZSA-N 1 0 328.416 2.317 50 0 EEAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)[C@@H](N)c2cccs2)CC1 ZINC000072475250 216253139 /nfs/dbraw/zinc/25/31/39/216253139.db2.gz GLLPZBGNWJLOHH-KRWDZBQOSA-N 1 0 344.484 2.266 50 0 EEAARO CCS(=O)(=O)Nc1c(C)cnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000130185949 223130006 /nfs/dbraw/zinc/13/00/06/223130006.db2.gz WFAMSSCPSXHRKD-INIZCTEOSA-N 1 0 348.472 2.400 50 0 EEAARO C[NH+](C)C1(CNC(=O)C2CCN(C(=O)C3CC3)CC2)CCCCCC1 ZINC000024583607 212426897 /nfs/dbraw/zinc/42/68/97/212426897.db2.gz ZITQRQRFZYWTLS-UHFFFAOYSA-N 1 0 349.519 2.406 50 0 EEAARO Cc1cc(OCC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000024115665 212411263 /nfs/dbraw/zinc/41/12/63/212411263.db2.gz NDDADCWTWAJMCR-UHFFFAOYSA-N 1 0 329.400 2.274 50 0 EEAARO Cc1ccc(SCCC(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000022935214 212338496 /nfs/dbraw/zinc/33/84/96/212338496.db2.gz VPMXTEMSFURGDN-UHFFFAOYSA-N 1 0 335.517 2.231 50 0 EEAARO C[C@@H]1CCC[C@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022823065 212325996 /nfs/dbraw/zinc/32/59/96/212325996.db2.gz HFJHHKLHMBKIGJ-MISYRCLQSA-N 1 0 332.488 2.370 50 0 EEAARO Cc1cc(C)n([C@H]2CCN(C(=O)c3cc(C)ccc3OCC[NH3+])C2)n1 ZINC000426623135 241317396 /nfs/dbraw/zinc/31/73/96/241317396.db2.gz YPNAKBVEBMBJRM-INIZCTEOSA-N 1 0 342.443 2.233 50 0 EEAARO O=C(CCCOc1ccccc1)N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1 ZINC000219110548 241365200 /nfs/dbraw/zinc/36/52/00/241365200.db2.gz UJPOEUBJINRKOO-GSEOLPGOSA-N 1 0 344.455 2.214 50 0 EEAARO CCc1nc(CSc2nnc([C@@H]([NH3+])Cc3ccccc3)n2C)no1 ZINC000426733972 241333646 /nfs/dbraw/zinc/33/36/46/241333646.db2.gz GRWPSTYRTUJXHY-LBPRGKRZSA-N 1 0 344.444 2.295 50 0 EEAARO Cc1csc(CCCNC(=O)CC[C@@H](C)[NH+]2CCOCC2)n1 ZINC000244602101 243043696 /nfs/dbraw/zinc/04/36/96/243043696.db2.gz DXMGLWGNCXMKRJ-CQSZACIVSA-N 1 0 325.478 2.001 50 0 EEAARO COc1ccc(F)c(CN2CCC[C@](O)(C[NH2+]C(C)(C)C)C2=O)c1 ZINC000012074959 211286876 /nfs/dbraw/zinc/28/68/76/211286876.db2.gz XCDCWWZALQGDHL-SFHVURJKSA-N 1 0 338.423 2.076 50 0 EEAARO CCN(CC[NH+](CC)CC)C(=O)c1cn(CCc2ccccc2)nn1 ZINC000011873849 211263289 /nfs/dbraw/zinc/26/32/89/211263289.db2.gz YUQBMDVMXJVYIM-UHFFFAOYSA-N 1 0 343.475 2.325 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ncc(F)cc2F)CC1 ZINC000091550739 218020295 /nfs/dbraw/zinc/02/02/95/218020295.db2.gz XMJIVSYTCFHXIQ-UHFFFAOYSA-N 1 0 332.354 2.416 50 0 EEAARO COc1ccccc1CNC(=O)C[N@@H+]1CCC[C@@](CO)(CC2CC2)C1 ZINC000091706741 218051808 /nfs/dbraw/zinc/05/18/08/218051808.db2.gz JJSFGZMVBJQDJE-HXUWFJFHSA-N 1 0 346.471 2.186 50 0 EEAARO COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(C(=O)CSC)C3)cc1 ZINC000091808359 218068562 /nfs/dbraw/zinc/06/85/62/218068562.db2.gz CUCLRGWPUAZULI-JKSUJKDBSA-N 1 0 334.485 2.481 50 0 EEAARO Cc1cc(N2CCN(C(=O)[C@@H]3COc4ccccc4C3)CC2)cc[nH+]1 ZINC000091746803 218058561 /nfs/dbraw/zinc/05/85/61/218058561.db2.gz BXINNMVEDHBTKQ-KRWDZBQOSA-N 1 0 337.423 2.290 50 0 EEAARO [NH3+][C@H]1CN(C(=O)c2cnn(Cc3ccccc3)c2)C[C@@H]1c1ccccc1 ZINC000091915147 218087749 /nfs/dbraw/zinc/08/77/49/218087749.db2.gz PHCAFRDMDBQXBP-UXHICEINSA-N 1 0 346.434 2.498 50 0 EEAARO CC(=O)c1cc(CC(=O)N2C[C@H]([NH3+])[C@@H](c3ccccc3)C2)cs1 ZINC000091964914 218096023 /nfs/dbraw/zinc/09/60/23/218096023.db2.gz HIUXMJWRWNPJTJ-CVEARBPZSA-N 1 0 328.437 2.447 50 0 EEAARO CCc1[nH+]c(N)nc(NC[C@@H](O)c2cc(OC)cc(OC)c2)c1C ZINC000095356071 218289536 /nfs/dbraw/zinc/28/95/36/218289536.db2.gz TVJJSZFQXGWLND-OAHLLOKOSA-N 1 0 332.404 2.092 50 0 EEAARO Cc1nc(CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)no1 ZINC000095355322 218289709 /nfs/dbraw/zinc/28/97/09/218289709.db2.gz ZVKIZJQPABNLHQ-JKSUJKDBSA-N 1 0 334.464 2.424 50 0 EEAARO C[C@H](O)C[NH+]1CCC2(CC(=O)N(C/C=C/c3ccccc3)C2)CC1 ZINC000095355606 218289718 /nfs/dbraw/zinc/28/97/18/218289718.db2.gz TTYMFOYYZKRPHM-JZLODUJNSA-N 1 0 328.456 2.395 50 0 EEAARO O=C(CCc1ccncc1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095376495 218309359 /nfs/dbraw/zinc/30/93/59/218309359.db2.gz BFIJGXMYMVXEFI-PKOBYXMFSA-N 1 0 343.471 2.116 50 0 EEAARO Cc1nccn1Cc1nnc([C@@H]2CCCN(c3cc[nH+]cc3)C2)n1C ZINC000095391875 218323463 /nfs/dbraw/zinc/32/34/63/218323463.db2.gz GEZVAXWUAANQJH-OAHLLOKOSA-N 1 0 337.431 2.147 50 0 EEAARO Cc1noc(C)c1CN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095384891 218317146 /nfs/dbraw/zinc/31/71/46/218317146.db2.gz JUIDMCGGIOLCOZ-OAHLLOKOSA-N 1 0 335.448 2.141 50 0 EEAARO Cc1cc(C)n(CCC[NH2+]C[C@H](O)COCc2ccccc2F)n1 ZINC000008278908 210925632 /nfs/dbraw/zinc/92/56/32/210925632.db2.gz HLLWMQUEHFURKK-KRWDZBQOSA-N 1 0 335.423 2.196 50 0 EEAARO COc1cccc(C(=O)N2CCC(F)(F)CC2)c1OCCC[NH3+] ZINC000299771201 258083594 /nfs/dbraw/zinc/08/35/94/258083594.db2.gz WNKKHTBRPUVJFF-UHFFFAOYSA-N 1 0 328.359 2.294 50 0 EEAARO Cc1ccn(CCC(=O)NC[C@H]2CCC3(CC[NH+](C(C)C)CC3)O2)n1 ZINC000299784411 258091945 /nfs/dbraw/zinc/09/19/45/258091945.db2.gz HTZQSISRRZIAJC-QGZVFWFLSA-N 1 0 348.491 2.120 50 0 EEAARO C[C@@H](NC(=O)C[N@H+](C)C1CCCC1)c1nc(-c2ccncc2)no1 ZINC000299799123 258102993 /nfs/dbraw/zinc/10/29/93/258102993.db2.gz XMQSMSMULQMQFO-GFCCVEGCSA-N 1 0 329.404 2.183 50 0 EEAARO CC[NH+]1CCC(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000014096837 276360094 /nfs/dbraw/zinc/36/00/94/276360094.db2.gz ANCVMQWXBPHKNK-UHFFFAOYSA-N 1 0 336.379 2.468 50 0 EEAARO O=c1c2nccnc2ncn1C[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000032550990 280392870 /nfs/dbraw/zinc/39/28/70/280392870.db2.gz WDEWZKCMNCDTHE-MRXNPFEDSA-N 1 0 335.411 2.414 50 0 EEAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)NC2(CO)CCCC2)C1 ZINC000534676091 468273931 /nfs/dbraw/zinc/27/39/31/468273931.db2.gz DRQIMNNVBYURLT-QGZVFWFLSA-N 1 0 345.487 2.421 50 0 EEAARO O=C1CS[C@H](c2ccc3c(c2)OCO3)N1CC[NH+]1CCCCC1 ZINC000000180104 462545268 /nfs/dbraw/zinc/54/52/68/462545268.db2.gz YSWPDVMAOZKVDJ-QGZVFWFLSA-N 1 0 334.441 2.475 50 0 EEAARO C[C@H]([NH2+]C[C@@H](O)COc1ccccc1)[C@@H]1COc2ccccc2O1 ZINC000000249310 462551136 /nfs/dbraw/zinc/55/11/36/462551136.db2.gz CZLWUFZQTCVKEE-KHYOSLBOSA-N 1 0 329.396 2.244 50 0 biogenic EEAARO O=C(N[C@H]1C[NH+]2CCC1CC2)c1cc(Br)cc2[nH]cnc21 ZINC000000385642 462558309 /nfs/dbraw/zinc/55/83/09/462558309.db2.gz QPXFEYWQPIKKED-ZDUSSCGKSA-N 1 0 349.232 2.149 50 0 EEAARO [NH2+]=c1ccn(CC(=O)c2ccc(I)cc2)cc1 ZINC000000972906 462574664 /nfs/dbraw/zinc/57/46/64/462574664.db2.gz KMPOBQZEHYJLKN-UHFFFAOYSA-N 1 0 338.148 2.455 50 0 EEAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@H](O)COC[C@@H]1COc2ccccc2O1 ZINC000004173756 462629167 /nfs/dbraw/zinc/62/91/67/462629167.db2.gz QSWWVPTUDPLALI-VVLHAWIVSA-N 1 0 335.444 2.467 50 0 EEAARO COCC[N@@H+]1CC[C@@H](C(=O)N(C)Cc2nc3ccccc3s2)C1 ZINC000065459873 462774392 /nfs/dbraw/zinc/77/43/92/462774392.db2.gz MOZAXUDIRJSGTP-CYBMUJFWSA-N 1 0 333.457 2.223 50 0 EEAARO O=C(CC[C@@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1)NC1CC1 ZINC000012759721 462867081 /nfs/dbraw/zinc/86/70/81/462867081.db2.gz DRSBQHKSJGVAHS-ZDUSSCGKSA-N 1 0 328.416 2.494 50 0 EEAARO CC(=O)c1ccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)s1 ZINC000012806805 462869835 /nfs/dbraw/zinc/86/98/35/462869835.db2.gz UXJQGXUMQHZGJZ-UHFFFAOYSA-N 1 0 344.440 2.350 50 0 EEAARO CC[N@@H+]1CCC[C@H](C(=O)N2CCC(n3cc(C(C)(C)C)nn3)CC2)C1 ZINC000048212296 462874512 /nfs/dbraw/zinc/87/45/12/462874512.db2.gz CLVOHECRKZWUES-HNNXBMFYSA-N 1 0 347.507 2.471 50 0 EEAARO CCc1ccc(C(=O)N2CC[N@H+](C)[C@]3(C2)CCC(=O)N(C)CC3)s1 ZINC000091434788 462878557 /nfs/dbraw/zinc/87/85/57/462878557.db2.gz LZWLCJUAMJOYOS-GOSISDBHSA-N 1 0 349.500 2.079 50 0 EEAARO C[NH+](C)Cc1ccccc1CNC(=O)CNC(=O)Nc1ccccc1 ZINC000012993723 462880393 /nfs/dbraw/zinc/88/03/93/462880393.db2.gz NAQIWMCECABDHS-UHFFFAOYSA-N 1 0 340.427 2.186 50 0 EEAARO CCOC(=O)c1c(C)[nH]c(C(=O)NC2CC[NH+](C(C)C)CC2)c1C ZINC000014197088 462918036 /nfs/dbraw/zinc/91/80/36/462918036.db2.gz DEVCZUYLKSWECE-UHFFFAOYSA-N 1 0 335.448 2.411 50 0 EEAARO COCCSc1nnc(C2CC[NH+](Cc3ccccn3)CC2)n1C ZINC000015003221 462938059 /nfs/dbraw/zinc/93/80/59/462938059.db2.gz RIDGHRWZSUFJCK-UHFFFAOYSA-N 1 0 347.488 2.328 50 0 EEAARO COc1cccc2c1OC[C@H]([NH2+]Cc1cccc(OCCO)c1)C2 ZINC000015064451 462939394 /nfs/dbraw/zinc/93/93/94/462939394.db2.gz DWNBQBPBYJDNLS-MRXNPFEDSA-N 1 0 329.396 2.160 50 0 EEAARO Cc1cc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)ccc1C(N)=O ZINC000120099316 462961406 /nfs/dbraw/zinc/96/14/06/462961406.db2.gz GEAHTJLQZZPCCV-OAHLLOKOSA-N 1 0 344.459 2.434 50 0 EEAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+](CC)CC ZINC000015773501 462962402 /nfs/dbraw/zinc/96/24/02/462962402.db2.gz RQGKTKWBOPCTEI-QGZVFWFLSA-N 1 0 331.460 2.202 50 0 EEAARO Cc1nccnc1N1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1 ZINC000067675274 463034580 /nfs/dbraw/zinc/03/45/80/463034580.db2.gz KLMGACZUDLSGSR-UHFFFAOYSA-N 1 0 334.427 2.293 50 0 EEAARO COc1cc(NC(=O)N2CCC(O)(C[NH+]3CCCC3)CC2)ccc1C ZINC000095510154 463099194 /nfs/dbraw/zinc/09/91/94/463099194.db2.gz KMGQIENOXQOHPN-UHFFFAOYSA-N 1 0 347.459 2.458 50 0 EEAARO CNc1ccnc(N2CCC(c3nccn3CCC[NH+](C)C)CC2)n1 ZINC000095518685 463100396 /nfs/dbraw/zinc/10/03/96/463100396.db2.gz 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ZFBHKLUEKDHNFQ-HNNXBMFYSA-N 1 0 342.439 2.180 50 0 EEAARO COc1ccccc1-n1cc(C(=O)N[C@H]2Cc3ccccc3[C@@H]2[NH3+])cn1 ZINC000091893272 218084798 /nfs/dbraw/zinc/08/47/98/218084798.db2.gz OEORQTYNJCGJFM-LPHOPBHVSA-N 1 0 348.406 2.235 50 0 EEAARO O=C(c1ccc2nccn2c1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000091893259 218085088 /nfs/dbraw/zinc/08/50/88/218085088.db2.gz UZAJMGSJLAAUMJ-KRWDZBQOSA-N 1 0 342.443 2.051 50 0 EEAARO c1ncn(Cc2nnc(C3CC[NH+](C4CCCC4)CC3)n2C2CC2)n1 ZINC000092020691 218104671 /nfs/dbraw/zinc/10/46/71/218104671.db2.gz UQDBECHJCBZHKY-UHFFFAOYSA-N 1 0 341.463 2.375 50 0 EEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cnc(-c3cccs3)[nH]c1=O)C2 ZINC000091964705 218095983 /nfs/dbraw/zinc/09/59/83/218095983.db2.gz FEGPPYIOUYBABV-NWDGAFQWSA-N 1 0 344.440 2.219 50 0 EEAARO Cc1cc(F)ccc1C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000092106793 218120980 /nfs/dbraw/zinc/12/09/80/218120980.db2.gz LXDDEMQCVTYXAY-UHFFFAOYSA-N 1 0 334.435 2.331 50 0 EEAARO C[NH+](C)CCCN1Cn2c3ccccc3nc2N(C[C@@H]2CCCO2)C1 ZINC000008992922 211027914 /nfs/dbraw/zinc/02/79/14/211027914.db2.gz GPHCHEKYNNHCAF-INIZCTEOSA-N 1 0 343.475 2.204 50 0 EEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1nc(Cc2ccccc2)no1 ZINC000095382816 218314271 /nfs/dbraw/zinc/31/42/71/218314271.db2.gz BOFPFRRAHPSQAO-HNNXBMFYSA-N 1 0 328.416 2.151 50 0 EEAARO CN1CC[NH+](C[C@@H]2CCCN(c3ncnc4cc(F)ccc43)C2)CC1 ZINC000095388357 218321005 /nfs/dbraw/zinc/32/10/05/218321005.db2.gz YYKNAWPVSHUDHS-HNNXBMFYSA-N 1 0 343.450 2.233 50 0 EEAARO Cc1nonc1CNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299768231 258083051 /nfs/dbraw/zinc/08/30/51/258083051.db2.gz IWZTTXRXIXFPMT-UAGQMJEPSA-N 1 0 326.400 2.220 50 0 EEAARO O=C(NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1c[nH]c(=O)cc1O ZINC000299781948 258090729 /nfs/dbraw/zinc/09/07/29/258090729.db2.gz OZYDFEROUSYQNV-HNNXBMFYSA-N 1 0 341.411 2.135 50 0 EEAARO O=C1OC2(CN1CCc1ccccc1)CCN([C@@H]1CCC[NH2+]C1)CC2 ZINC000072470575 258065028 /nfs/dbraw/zinc/06/50/28/258065028.db2.gz MFUMJRVVVKELPE-GOSISDBHSA-N 1 0 343.471 2.268 50 0 EEAARO O=C(NCCC[N@H+]1CCCC[C@H]1CO)Nc1cccnc1Cl ZINC000096164983 258067705 /nfs/dbraw/zinc/06/77/05/258067705.db2.gz YDMOIAVZGVFQRS-LBPRGKRZSA-N 1 0 326.828 2.093 50 0 EEAARO C[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccnc2OCC(F)F)C1 ZINC000123190822 292279648 /nfs/dbraw/zinc/27/96/48/292279648.db2.gz YIPIJLHYMZJHIV-NSHDSACASA-N 1 0 328.363 2.189 50 0 EEAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NC4CC4)c(C)c32)CC1 ZINC000033048355 273667691 /nfs/dbraw/zinc/66/76/91/273667691.db2.gz DUQHODHKWORWEW-UHFFFAOYSA-N 1 0 345.472 2.034 50 0 EEAARO C[NH+]1CCC2(CC1)OCCN2C(=O)c1ccccc1Br ZINC000013719247 289899350 /nfs/dbraw/zinc/89/93/50/289899350.db2.gz VGWYUMNHVMSLTH-UHFFFAOYSA-N 1 0 339.233 2.343 50 0 EEAARO COc1cccc(-c2n[nH]cc2C(=O)N[C@@H](C)C[NH+]2CCCC2)c1 ZINC000097370456 295280609 /nfs/dbraw/zinc/28/06/09/295280609.db2.gz WBFAWMRBYPQLBG-ZDUSSCGKSA-N 1 0 328.416 2.299 50 0 EEAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)c(OC)c2)C1 ZINC000000282615 462552072 /nfs/dbraw/zinc/55/20/72/462552072.db2.gz OMTMNEXOBSBDHS-AWEZNQCLSA-N 1 0 337.416 2.488 50 0 EEAARO Cc1cccc(C2([NH2+]CC(=O)N[C@H]3CCCCNC3=O)CCCC2)c1 ZINC000113932057 462616653 /nfs/dbraw/zinc/61/66/53/462616653.db2.gz KGSMCGHGNZWZKO-KRWDZBQOSA-N 1 0 343.471 2.139 50 0 EEAARO CC[NH+](CC)CC(=O)Nc1c(C(=O)OC)[nH]c2cccc(OC)c21 ZINC000005253225 462652723 /nfs/dbraw/zinc/65/27/23/462652723.db2.gz HRTAHWJCMASAGL-UHFFFAOYSA-N 1 0 333.388 2.243 50 0 EEAARO CC(C)[NH+]1CCC(C(=O)NCC[C@H]2COc3ccccc3O2)CC1 ZINC000065495496 462782574 /nfs/dbraw/zinc/78/25/74/462782574.db2.gz UHKZVGKGRMRTCK-INIZCTEOSA-N 1 0 332.444 2.453 50 0 EEAARO O=C(CC[NH+]1CCN(c2ccc(Cl)cn2)CC1)NCc1ccco1 ZINC000065527503 462789971 /nfs/dbraw/zinc/78/99/71/462789971.db2.gz ZJJWMRSAIXQYGZ-UHFFFAOYSA-N 1 0 348.834 2.157 50 0 EEAARO Cn1nccc1C(=O)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012574998 462857936 /nfs/dbraw/zinc/85/79/36/462857936.db2.gz INIPRKSTAACZTL-KRWDZBQOSA-N 1 0 326.444 2.247 50 0 EEAARO Cc1cccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)c1 ZINC000012764109 462867288 /nfs/dbraw/zinc/86/72/88/462867288.db2.gz SODQBCGDDSKXOF-UHFFFAOYSA-N 1 0 340.427 2.159 50 0 EEAARO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)s1 ZINC000091305417 462871193 /nfs/dbraw/zinc/87/11/93/462871193.db2.gz BQQOTPWAIRQLKM-GOEBONIOSA-N 1 0 349.500 2.475 50 0 EEAARO CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCC(CCc2ccc(O)cc2)CC1 ZINC000012904444 462874293 /nfs/dbraw/zinc/87/42/93/462874293.db2.gz BUJGJYSRVVVMQS-CQSZACIVSA-N 1 0 347.459 2.271 50 0 EEAARO CCC[C@H]1C[N@H+](CCC(=O)NCc2ccc(F)cc2)C[C@@H]1NC(C)=O ZINC000091781110 462907147 /nfs/dbraw/zinc/90/71/47/462907147.db2.gz PIRQDRNJEINTDI-WMZOPIPTSA-N 1 0 349.450 2.069 50 0 EEAARO CCCCc1cn(C2CCN(C(=O)[C@H](C)[NH+]3CCCC3)CC2)nn1 ZINC000048422391 462908246 /nfs/dbraw/zinc/90/82/46/462908246.db2.gz LARGVPKNSZFXJE-HNNXBMFYSA-N 1 0 333.480 2.269 50 0 EEAARO O=C1c2ccccc2C(=O)N1CCSC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000014182576 462915995 /nfs/dbraw/zinc/91/59/95/462915995.db2.gz HNTQWCWTQIDXOA-ZIAGYGMSSA-N 1 0 329.425 2.286 50 0 EEAARO C[N@@H+]1CCC[C@H](CCC(=O)NCc2csc(N3CCCC3)n2)C1 ZINC000095363819 463069853 /nfs/dbraw/zinc/06/98/53/463069853.db2.gz UDAIEVWUXXNXEC-CQSZACIVSA-N 1 0 336.505 2.482 50 0 EEAARO Cc1cc(C)n([C@H]2CC[N@@H+](C3CCN(c4ncccn4)CC3)C2)n1 ZINC000095520000 463101955 /nfs/dbraw/zinc/10/19/55/463101955.db2.gz VYHVEPRSFWSXBL-KRWDZBQOSA-N 1 0 326.448 2.206 50 0 EEAARO Cc1cc(C[C@@H]2COC[C@@H]2NC(=O)CC[NH+]2CCCCCCC2)on1 ZINC000096137938 463184485 /nfs/dbraw/zinc/18/44/85/463184485.db2.gz FUTWGAXBPLOSJN-AEFFLSMTSA-N 1 0 349.475 2.313 50 0 EEAARO CC(=O)NCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069741032 463316117 /nfs/dbraw/zinc/31/61/17/463316117.db2.gz QYAQYFRHGDKYEN-RBUKOAKNSA-N 1 0 343.471 2.168 50 0 EEAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1cc3c(cc1OC)C[C@@H](C)O3)CC2 ZINC000097199511 463344485 /nfs/dbraw/zinc/34/44/85/463344485.db2.gz MAORFGKESRZUCQ-DOMZBBRYSA-N 1 0 342.443 2.277 50 0 EEAARO Cc1nn(C)c(C)c1CC(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032401144 463375357 /nfs/dbraw/zinc/37/53/57/463375357.db2.gz SPZLFNWBNVLJIV-UHFFFAOYSA-N 1 0 340.471 2.144 50 0 EEAARO CCOC(=O)c1ccc(OC[C@H](O)C[N@H+](C)Cc2cccnc2)cc1 ZINC000032854095 463398532 /nfs/dbraw/zinc/39/85/32/463398532.db2.gz WMBPPMWMGDPXLN-QGZVFWFLSA-N 1 0 344.411 2.130 50 0 EEAARO CC(C)[C@@H]1CN(C(=O)C(=O)c2cccnc2)CCC[N@@H+]1CC1CC1 ZINC000071708126 463419094 /nfs/dbraw/zinc/41/90/94/463419094.db2.gz KCDMZLAWXZWZKJ-KRWDZBQOSA-N 1 0 329.444 2.233 50 0 EEAARO CSc1ccc(-c2nc(CN3C[C@H](O)[C@@H]([NH+](C)C)C3)c(C)o2)cc1 ZINC000071775787 463424495 /nfs/dbraw/zinc/42/44/95/463424495.db2.gz IAXQZZKFPLHZNU-IRXDYDNUSA-N 1 0 347.484 2.479 50 0 EEAARO CCC[C@H](O)C[N@H+](CCN1CCOCC1)Cc1ccc(C)s1 ZINC000036100898 463434652 /nfs/dbraw/zinc/43/46/52/463434652.db2.gz BZKKQDGYMCIOEQ-INIZCTEOSA-N 1 0 326.506 2.352 50 0 EEAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)N2CCOCC2)CC1 ZINC000072156304 463482653 /nfs/dbraw/zinc/48/26/53/463482653.db2.gz POXCFMURTLONSC-UHFFFAOYSA-N 1 0 331.460 2.078 50 0 EEAARO CCN(C(=O)COCCOC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106756099 463533599 /nfs/dbraw/zinc/53/35/99/463533599.db2.gz SVHGJGNMLUPKDZ-AEFFLSMTSA-N 1 0 334.460 2.333 50 0 EEAARO COc1c([C@@H]2CCCN2[C@H](C)C(=O)NC2CCCC2)c(C)nn1C ZINC000106908272 463548356 /nfs/dbraw/zinc/54/83/56/463548356.db2.gz KOKKCSYSRPWXMZ-HIFRSBDPSA-N 1 0 334.464 2.321 50 0 EEAARO CSc1ccc(CNC(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000106905420 463549369 /nfs/dbraw/zinc/54/93/69/463549369.db2.gz GUCBXAJZDJSXQV-LSDHHAIUSA-N 1 0 335.473 2.071 50 0 EEAARO Cn1c2ccccc2cc(C[N@@H+]2CCCN(c3ncccn3)CC2)c1=O ZINC000215387285 464106026 /nfs/dbraw/zinc/10/60/26/464106026.db2.gz WIBKHXRLMQZNNW-UHFFFAOYSA-N 1 0 349.438 2.041 50 0 EEAARO Cc1ccn2c(F)c(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)nc2c1 ZINC000216256976 464106453 /nfs/dbraw/zinc/10/64/53/464106453.db2.gz SBDLSNNSJXQDMH-CYBMUJFWSA-N 1 0 330.407 2.481 50 0 EEAARO c1ccc(N2CCN(CC[N@@H+]3CCO[C@@H]4CCCC[C@H]43)CC2)cc1 ZINC000244858508 464462567 /nfs/dbraw/zinc/46/25/67/464462567.db2.gz VMNJFBQHFPUVRI-WOJBJXKFSA-N 1 0 329.488 2.452 50 0 EEAARO C[NH+](C)[C@H]1CCN(CC(=O)NCCc2cccc(C(F)(F)F)c2)C1 ZINC000252502797 464972175 /nfs/dbraw/zinc/97/21/75/464972175.db2.gz UTDTZOAPAFQLJN-HNNXBMFYSA-N 1 0 343.393 2.000 50 0 EEAARO Cc1nonc1CC(=O)NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000252502445 464972530 /nfs/dbraw/zinc/97/25/30/464972530.db2.gz UQNARLWMJYHBLZ-KRWDZBQOSA-N 1 0 346.406 2.403 50 0 EEAARO CCc1nn(C)c(Cl)c1CN1CCCN(C(=O)C2CCC2)CC1 ZINC000252504269 464972886 /nfs/dbraw/zinc/97/28/86/464972886.db2.gz VJBFEYUXTSBSFK-UHFFFAOYSA-N 1 0 338.883 2.470 50 0 EEAARO Cn1cc(C(=O)NC[C@@H](c2csc3ccccc32)[NH+](C)C)nn1 ZINC000575622567 468152420 /nfs/dbraw/zinc/15/24/20/468152420.db2.gz ZVYMKWIUFFMQON-AWEZNQCLSA-N 1 0 329.429 2.063 50 0 EEAARO Cc1nnc(CN(C)C(=O)NC[C@@H](c2cccc(C)c2)[NH+](C)C)o1 ZINC000534587778 468266009 /nfs/dbraw/zinc/26/60/09/468266009.db2.gz PMFNAAUAHCNRAP-HNNXBMFYSA-N 1 0 331.420 2.131 50 0 EEAARO COc1cccc(N2CCC([NH+]3CCC4(CNC(=O)O4)CC3)CC2)c1 ZINC000584885506 468955690 /nfs/dbraw/zinc/95/56/90/468955690.db2.gz CMEOEWZJDMXUPY-UHFFFAOYSA-N 1 0 345.443 2.238 50 0 EEAARO Cc1nc2c(cnn2CCc2ccccc2)c(N2CC[NH+](C)CC2)n1 ZINC000000082118 527101534 /nfs/dbraw/zinc/10/15/34/527101534.db2.gz INPMKLSUSQBBNJ-UHFFFAOYSA-N 1 0 336.443 2.129 50 0 EEAARO CC(C)C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1[nH]nc(N)c1Cl ZINC000223763869 535071411 /nfs/dbraw/zinc/07/14/11/535071411.db2.gz ZJWZXELECOLNQQ-LLVKDONJSA-N 1 0 327.860 2.276 50 0 EEAARO CC(C)(C)c1cc(CNC(=O)N2CCN(c3cc[nH+]cc3)CC2)[nH]n1 ZINC000426551384 535107088 /nfs/dbraw/zinc/10/70/88/535107088.db2.gz UZQGZLSZVFARHO-UHFFFAOYSA-N 1 0 342.447 2.134 50 0 EEAARO COc1ccc2c(C)c(C(=O)N[C@H]3[C@H]4CCO[C@H]4[C@@H]3[NH+](C)C)oc2c1 ZINC000219213664 536962473 /nfs/dbraw/zinc/96/24/73/536962473.db2.gz PYRLNJGTDKNFLR-NOVWEMISSA-N 1 0 344.411 2.197 50 0 EEAARO Cc1cc(C(=O)N2CCC[N@H+](CCc3cccc(C)n3)CC2)no1 ZINC001772700795 1179282021 /nfs/dbraw/zinc/28/20/21/1179282021.db2.gz FNJDKSAGLNYBOW-UHFFFAOYSA-N 1 0 328.416 2.077 50 0 EEAARO NCc1nnc(N2CCC[C@]3(CCC[N@H+](Cc4ccccc4)C3)C2)o1 ZINC001772709837 1179299828 /nfs/dbraw/zinc/29/98/28/1179299828.db2.gz NUJUJNMCYSDJDC-IBGZPJMESA-N 1 0 341.459 2.411 50 0 EEAARO C[C@@H]1C(=O)N2CCC[C@@H]2CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC001772710976 1179303010 /nfs/dbraw/zinc/30/30/10/1179303010.db2.gz UZIATNSFUALCLM-VQIMIIECSA-N 1 0 327.472 2.346 50 0 EEAARO CC(C)=CC[N@@H+]1CCN(Cc2cccc3nonc32)C[C@H]1CCO ZINC000254010959 1217185442 /nfs/dbraw/zinc/18/54/42/1217185442.db2.gz YTHAWSPITRAXOT-MRXNPFEDSA-N 1 0 330.432 2.058 50 0 EEAARO COc1ccc(C[NH+]2CCC3(CC[C@@H](CNC(C)=O)O3)CC2)cc1 ZINC000014883108 1226219056 /nfs/dbraw/zinc/21/90/56/1226219056.db2.gz IZECVCQVZFPRKC-SFHVURJKSA-N 1 0 332.444 2.345 50 0 EEAARO C[C@H](C1CCN(C(=O)c2ccc(Cl)cn2)CC1)[NH+]1CCOCC1 ZINC000072480867 1286347140 /nfs/dbraw/zinc/34/71/40/1286347140.db2.gz SCOMYVROIQWHDY-CYBMUJFWSA-N 1 0 337.851 2.308 50 0 EEAARO Cc1nc(-c2ccc(C[N@H+](C)CCn3cccn3)cc2)[nH]c(=O)c1C ZINC000048261862 1316617762 /nfs/dbraw/zinc/61/77/62/1316617762.db2.gz ZUKNTUFTFUDKMQ-UHFFFAOYSA-N 1 0 337.427 2.382 50 0 EEAARO CCc1ncc(C[NH2+][C@H]2CCCN(Cc3cccc(O)c3)C2)cn1 ZINC000952869900 796047903 /nfs/dbraw/zinc/04/79/03/796047903.db2.gz OQSLKUQUJKFBNO-KRWDZBQOSA-N 1 0 326.444 2.499 50 0 EEAARO Cc1ncc(CO)c(C[NH2+]CCN2CCCc3ccccc32)c1O ZINC000952976781 796122017 /nfs/dbraw/zinc/12/20/17/796122017.db2.gz HYUPOOVPIDOEBA-UHFFFAOYSA-N 1 0 327.428 2.130 50 0 EEAARO Cc1cc(C)c2[nH]c(=O)c(C[NH2+]CCN3CCCC[C@@H]3CO)cc2c1 ZINC000952985528 796149375 /nfs/dbraw/zinc/14/93/75/796149375.db2.gz CAEAAFJJSNWQDZ-GOSISDBHSA-N 1 0 343.471 2.494 50 0 EEAARO CC(C)C1=NO[C@H](C(=O)NCC2CC[NH+](Cc3ccco3)CC2)C1 ZINC000827792002 800512148 /nfs/dbraw/zinc/51/21/48/800512148.db2.gz SYTWMYDOAJYHRR-KRWDZBQOSA-N 1 0 333.432 2.409 50 0 EEAARO Cn1cc(CCC(=O)NCC2CC[NH+](Cc3ccsc3)CC2)cn1 ZINC000827822481 800517725 /nfs/dbraw/zinc/51/77/25/800517725.db2.gz WRYMDSIJUSCAQL-UHFFFAOYSA-N 1 0 346.500 2.443 50 0 EEAARO Cc1c[nH+]ccc1NCCNC(=O)c1ccc(CCC(C)(C)O)cc1 ZINC000828157150 800615391 /nfs/dbraw/zinc/61/53/91/800615391.db2.gz BDMWNUPFDYXSPW-UHFFFAOYSA-N 1 0 341.455 2.357 50 0 EEAARO C[NH+](C)CC[C@H]1CN(Cc2ccc(Cn3cccn3)cc2)CCO1 ZINC000012301369 800876378 /nfs/dbraw/zinc/87/63/78/800876378.db2.gz SLCMSJPCLSUTCX-IBGZPJMESA-N 1 0 328.460 2.084 50 0 EEAARO CC[N@H+](CCN1CCOCC1)Cc1cc(=O)c2cc(Cl)ccc2[nH]1 ZINC001506425795 1114603686 /nfs/dbraw/zinc/60/36/86/1114603686.db2.gz HDZIRHNDKOSGBT-UHFFFAOYSA-N 1 0 349.862 2.336 50 0 EEAARO CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 ZINC001529126980 1121328879 /nfs/dbraw/zinc/32/88/79/1121328879.db2.gz VXSPBEXDQFBDAQ-FGTMMUONSA-N 1 0 343.471 2.077 50 0 EEAARO O[C@@H](C[NH2+][C@H]1CCCN(Cc2noc(C3CC3)n2)C1)c1ccccc1 ZINC000069840832 539336622 /nfs/dbraw/zinc/33/66/22/539336622.db2.gz WSQGLNPRZJZRAC-IRXDYDNUSA-N 1 0 342.443 2.235 50 0 EEAARO Cc1cc(C)c(C(=O)NCC[C@@H]2CCC[N@@H+](CC(C)C)C2)c(=O)[nH]1 ZINC000067473280 215151905 /nfs/dbraw/zinc/15/19/05/215151905.db2.gz ZOYJMFORZLEBSB-INIZCTEOSA-N 1 0 333.476 2.480 50 0 EEAARO Cc1cccc(C[N@@H+]2CCC[C@@H](CCNC(=O)c3cncnc3)C2)n1 ZINC000067587512 215165185 /nfs/dbraw/zinc/16/51/85/215165185.db2.gz YBGDGGTWPWKBLL-INIZCTEOSA-N 1 0 339.443 2.212 50 0 EEAARO CCCc1nc(C(=O)NC[C@@H]2CC[N@@H+](C3CCOCC3)C2)cs1 ZINC000067696323 215189190 /nfs/dbraw/zinc/18/91/90/215189190.db2.gz BJGDAEFENNEKQP-ZDUSSCGKSA-N 1 0 337.489 2.326 50 0 EEAARO C[NH2+]CC(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067712544 215191040 /nfs/dbraw/zinc/19/10/40/215191040.db2.gz OCASKTMSWXHVBM-UHFFFAOYSA-N 1 0 347.802 2.048 50 0 EEAARO CC(C)NC(=O)NC[C@H]1CCC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000067739497 215199673 /nfs/dbraw/zinc/19/96/73/215199673.db2.gz SRABCDQLDZTNJQ-MRXNPFEDSA-N 1 0 347.459 2.377 50 0 EEAARO Cc1cc(C[C@H](C)Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)n[nH]1 ZINC000067788870 215213092 /nfs/dbraw/zinc/21/30/92/215213092.db2.gz UKRLTVBYBDRHAP-LBPRGKRZSA-N 1 0 349.442 2.259 50 0 EEAARO CCn1cc(C[N@@H+]2CCC[C@@H](CNC(=O)NC3CCCC3)C2)cn1 ZINC000067820755 215221043 /nfs/dbraw/zinc/22/10/43/215221043.db2.gz NDWFFOMMGCFDNW-HNNXBMFYSA-N 1 0 333.480 2.357 50 0 EEAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@H](C)[NH3+])CCO3)s1 ZINC000067934083 215252933 /nfs/dbraw/zinc/25/29/33/215252933.db2.gz HGBQCKIHEUXDQT-NSHDSACASA-N 1 0 332.425 2.497 50 0 EEAARO CC(C)(C)C[N@@H+]1CCN(Cc2cccc3c2OCO3)C[C@H]1CCO ZINC000104432076 219385636 /nfs/dbraw/zinc/38/56/36/219385636.db2.gz VNTMIDRCCNNIJJ-MRXNPFEDSA-N 1 0 334.460 2.330 50 0 EEAARO CCn1cc(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)cn1 ZINC000039552580 213240039 /nfs/dbraw/zinc/24/00/39/213240039.db2.gz JQKGKGIHYFVIKA-LJQANCHMSA-N 1 0 334.508 2.352 50 0 EEAARO CS(=O)(=O)c1ccc([C@H](O)C[NH2+]CCc2cccs2)cc1 ZINC000037880425 213171810 /nfs/dbraw/zinc/17/18/10/213171810.db2.gz QATTYDQPUNLLFL-OAHLLOKOSA-N 1 0 325.455 2.017 50 0 EEAARO COCC[N@@H+](Cc1ccccc1OC)C[C@@H](O)COCC(C)C ZINC000036096183 213062831 /nfs/dbraw/zinc/06/28/31/213062831.db2.gz VAJAIOKYIKVRDD-QGZVFWFLSA-N 1 0 325.449 2.177 50 0 EEAARO COCCCN(C(=O)NCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000072145478 216032831 /nfs/dbraw/zinc/03/28/31/216032831.db2.gz VIYHBIKQQVOCBP-UHFFFAOYSA-N 1 0 337.439 2.468 50 0 EEAARO COCCC[N@@H+]1C[C@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072150183 216038272 /nfs/dbraw/zinc/03/82/72/216038272.db2.gz JHDKEMNRQORMDN-NSISKUIASA-N 1 0 344.455 2.314 50 0 EEAARO c1cncc(C[N@@H+]2CCc3ncnc(NC[C@@H]4CCCO4)c3CC2)c1 ZINC000072434289 216229096 /nfs/dbraw/zinc/22/90/96/216229096.db2.gz NOKLZEUAOAYREO-INIZCTEOSA-N 1 0 339.443 2.063 50 0 EEAARO CN(Cc1nccs1)c1nc(CC2CC2)nc2c1CC[NH2+]CC2 ZINC000072477659 216255362 /nfs/dbraw/zinc/25/53/62/216255362.db2.gz WDGKFJZCGBDOCA-UHFFFAOYSA-N 1 0 329.473 2.210 50 0 EEAARO COc1cc(F)c(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]cn3)C2)cc1OC ZINC000023543554 212380835 /nfs/dbraw/zinc/38/08/35/212380835.db2.gz SETCJJONILTVNK-LBPRGKRZSA-N 1 0 347.390 2.306 50 0 EEAARO CC(=O)c1ccc(OC[C@@H](O)CNCC[NH+](C(C)C)C(C)C)cc1 ZINC000023466404 212378233 /nfs/dbraw/zinc/37/82/33/212378233.db2.gz OHXMKMAZFNZBQO-SFHVURJKSA-N 1 0 336.476 2.337 50 0 EEAARO O[C@@H]1C[C@H]2C[N@@H+](Cc3ccc4cc(Cl)ccc4n3)C[C@H]2C[C@@H]1O ZINC000216224028 241174413 /nfs/dbraw/zinc/17/44/13/241174413.db2.gz NGNBCFNVIBLKCM-VUWOVVPOSA-N 1 0 332.831 2.452 50 0 EEAARO Cn1nccc1CCC(=O)NC[C@H](c1cccnc1)[NH+]1CCCCC1 ZINC000215610618 241134720 /nfs/dbraw/zinc/13/47/20/241134720.db2.gz LSKSWCNMFMRRMZ-GOSISDBHSA-N 1 0 341.459 2.091 50 0 EEAARO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCSc1ccccc1 ZINC000426386482 241273645 /nfs/dbraw/zinc/27/36/45/241273645.db2.gz WCICICQGRJHEJV-OAHLLOKOSA-N 1 0 344.484 2.259 50 0 EEAARO CN(Cc1ncc[nH]1)C(=O)NCC[NH+]1CCC(c2ccccc2)CC1 ZINC000426484927 241294760 /nfs/dbraw/zinc/29/47/60/241294760.db2.gz WSGNBUXLUMPTKX-UHFFFAOYSA-N 1 0 341.459 2.431 50 0 EEAARO Cc1cc(=O)cc(C(=O)NCC2CC[NH+](C3CCCCC3)CC2)[nH]1 ZINC000426525923 241303628 /nfs/dbraw/zinc/30/36/28/241303628.db2.gz AHNFVMOYYNDQPM-UHFFFAOYSA-N 1 0 331.460 2.458 50 0 EEAARO Cn1c(C(=O)NC[C@@H]2COCC[N@H+](C)C2)cc2c1cccc2Cl ZINC000426523449 241305327 /nfs/dbraw/zinc/30/53/27/241305327.db2.gz KLZPYDKFYVHCOK-LBPRGKRZSA-N 1 0 335.835 2.140 50 0 EEAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)NCCc1cccc(=O)[nH]1 ZINC000426604518 241315930 /nfs/dbraw/zinc/31/59/30/241315930.db2.gz PAZFLSYRPWZKEV-UHFFFAOYSA-N 1 0 349.818 2.141 50 0 EEAARO C[C@H](c1ccncn1)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000244716205 243066397 /nfs/dbraw/zinc/06/63/97/243066397.db2.gz LKNXQQYWYMSQLN-QGZVFWFLSA-N 1 0 325.460 2.292 50 0 EEAARO Cc1ncn(CCNc2cc([C@H]3C[C@H]([NH3+])C3)nc(C3CC3)n2)c1C ZINC000243901600 243032931 /nfs/dbraw/zinc/03/29/31/243032931.db2.gz BDFXRWPAMHTIGL-SHTZXODSSA-N 1 0 326.448 2.484 50 0 EEAARO O=C(c1ccoc1)N1CCC[N@H+](CCn2cnc3ccccc32)CC1 ZINC000244584361 243040934 /nfs/dbraw/zinc/04/09/34/243040934.db2.gz CXYPEUWFEFBKTF-UHFFFAOYSA-N 1 0 338.411 2.477 50 0 EEAARO CCn1c(C)c(C)c2cc(C(=O)NCCN3CC[NH+](C)CC3)ccc21 ZINC000020583789 212149486 /nfs/dbraw/zinc/14/94/86/212149486.db2.gz KVQDSCCPGWYPGB-UHFFFAOYSA-N 1 0 342.487 2.255 50 0 EEAARO Cc1cccc(CN2CC[N@@H+](C3CCSCC3)C[C@@H]2CCO)n1 ZINC000020406846 212125360 /nfs/dbraw/zinc/12/53/60/212125360.db2.gz FSIOXIHNYBYWIZ-SFHVURJKSA-N 1 0 335.517 2.154 50 0 EEAARO CC(C)CNC(=O)[C@@H]1C[NH2+]C[C@H](C(=O)Nc2ccc3c(c2)CCC3)C1 ZINC000014733488 211757678 /nfs/dbraw/zinc/75/76/78/211757678.db2.gz JJLQFNWHBOEWIM-DLBZAZTESA-N 1 0 343.471 2.112 50 0 EEAARO CCNc1nc(NCCNC(=O)c2cccc(OC)c2)cc(C)[nH+]1 ZINC000082230340 217484582 /nfs/dbraw/zinc/48/45/82/217484582.db2.gz LHMSEOPRVCSPIE-UHFFFAOYSA-N 1 0 329.404 2.067 50 0 EEAARO COC(=O)CCC(=O)N[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012372904 211358884 /nfs/dbraw/zinc/35/88/84/211358884.db2.gz VZKSMIAOQHWLOA-QGZVFWFLSA-N 1 0 332.444 2.153 50 0 EEAARO CN1CC[N@H+](CCCCF)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091494593 218014580 /nfs/dbraw/zinc/01/45/80/218014580.db2.gz BTMWOVDSBAPGFX-SFHVURJKSA-N 1 0 325.472 2.145 50 0 EEAARO CC[NH+](CC)CC(=O)NCc1cccnc1-n1cnc2ccccc21 ZINC000011933855 211269491 /nfs/dbraw/zinc/26/94/91/211269491.db2.gz CRZQOUROBOPVOR-UHFFFAOYSA-N 1 0 337.427 2.379 50 0 EEAARO CC(C)CCN1C[C@]2(CCCN(C(=O)C[NH+]3CCCC3)C2)CCC1=O ZINC000091476589 218012025 /nfs/dbraw/zinc/01/20/25/218012025.db2.gz ANMGVYGEWPQRIQ-HXUWFJFHSA-N 1 0 349.519 2.360 50 0 EEAARO COc1cc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc(OC)c1 ZINC000091551754 218021681 /nfs/dbraw/zinc/02/16/81/218021681.db2.gz ODQDKOWVFLOFJX-QZTJIDSGSA-N 1 0 348.487 2.230 50 0 EEAARO CC(C)(C)CN1CCC[C@@](O)(C[NH2+]C2Cc3ccccc3C2)C1=O ZINC000011661211 211229026 /nfs/dbraw/zinc/22/90/26/211229026.db2.gz MMZATCLSZNQBBG-HXUWFJFHSA-N 1 0 330.472 2.143 50 0 EEAARO Nc1ccnc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1 ZINC000095360384 218292877 /nfs/dbraw/zinc/29/28/77/218292877.db2.gz OZQGSISOLMWCLN-SJLPKXTDSA-N 1 0 336.439 2.400 50 0 EEAARO COCCN(C(=O)[C@H](c1ccccc1C)N(C)C)C1CC[NH+](C)CC1 ZINC000095388275 218320750 /nfs/dbraw/zinc/32/07/50/218320750.db2.gz PTWLWNVWQRPCOM-IBGZPJMESA-N 1 0 347.503 2.167 50 0 EEAARO CCCC[N@H+](C)CCCNC(=O)C[C@H]1Oc2ccccc2NC1=O ZINC000005069568 210383320 /nfs/dbraw/zinc/38/33/20/210383320.db2.gz JDQOVMAMOOVZBM-MRXNPFEDSA-N 1 0 333.432 2.014 50 0 aggregator EEAARO C[C@@]1(O)N(Cc2ccccn2)C(=O)OC12CC(C)(C)[NH2+]C(C)(C)C2 ZINC000000036895 208554201 /nfs/dbraw/zinc/55/42/01/208554201.db2.gz HINRDBRRJQFOOK-KRWDZBQOSA-N 1 0 333.432 2.422 50 0 EEAARO COCCC[N@@H+]1CC[C@H](CNC(=O)c2cccc(-c3cn[nH]c3)c2)C1 ZINC000097294682 219010028 /nfs/dbraw/zinc/01/00/28/219010028.db2.gz MUAFNKLBZZYGOX-OAHLLOKOSA-N 1 0 342.443 2.165 50 0 EEAARO Cc1ccccc1OCCNC(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097547529 219034527 /nfs/dbraw/zinc/03/45/27/219034527.db2.gz PWTULIQDORNCMS-KRWDZBQOSA-N 1 0 346.471 2.381 50 0 EEAARO C[C@@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000112511459 220341039 /nfs/dbraw/zinc/34/10/39/220341039.db2.gz NHNIGXSDNQMGNS-GHMZBOCLSA-N 1 0 336.379 2.453 50 0 EEAARO O=C(c1cc(C(F)(F)F)n[nH]1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097551440 219035278 /nfs/dbraw/zinc/03/52/78/219035278.db2.gz ICFZWNJHFKLSEF-UHFFFAOYSA-N 1 0 348.394 2.082 50 0 EEAARO C[C@H](CO[C@@H]1CCOC1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000267995196 256103239 /nfs/dbraw/zinc/10/32/39/256103239.db2.gz RQQGEOUASHJUHM-VQIMIIECSA-N 1 0 346.471 2.209 50 0 EEAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](CC(=O)N3CCc4ccccc43)[C@H]2C1 ZINC000299777627 258088026 /nfs/dbraw/zinc/08/80/26/258088026.db2.gz OJRILNKRIYZFQF-IMFGXOCKSA-N 1 0 344.455 2.234 50 0 EEAARO CCc1ncc(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)cn1 ZINC000299780737 258089535 /nfs/dbraw/zinc/08/95/35/258089535.db2.gz CJGDDJDBALVJQR-UHFFFAOYSA-N 1 0 338.455 2.432 50 0 EEAARO C[NH+](C)[C@H]1CCN(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)C1 ZINC000299787408 258094341 /nfs/dbraw/zinc/09/43/41/258094341.db2.gz WVMIMQSXSYXSDI-INIZCTEOSA-N 1 0 331.395 2.238 50 0 EEAARO CC[N@@H+](Cc1ccc(C(=O)NC)cc1)C[C@H](O)c1cccc(O)c1 ZINC000299796555 258100817 /nfs/dbraw/zinc/10/08/17/258100817.db2.gz OUCROYGALXEZJW-SFHVURJKSA-N 1 0 328.412 2.307 50 0 EEAARO CCn1nc(C)c(CNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c1C ZINC000299757619 258075651 /nfs/dbraw/zinc/07/56/51/258075651.db2.gz LJPHEWAWUFHWDQ-MRXNPFEDSA-N 1 0 348.491 2.027 50 0 EEAARO COc1cccc(C(=O)N2Cc3cnc(C)cc3C2)c1OCCC[NH3+] ZINC000299767504 258082401 /nfs/dbraw/zinc/08/24/01/258082401.db2.gz HNKJUHIDMSPDCE-UHFFFAOYSA-N 1 0 341.411 2.282 50 0 EEAARO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)CC[C@@H]2CCOC2)cc1 ZINC000344019859 161190603 /nfs/dbraw/zinc/19/06/03/161190603.db2.gz YAOFBUJNLYEVCB-FHLIZLRMSA-N 1 0 332.444 2.074 50 0 EEAARO CC[NH+]1CCN(C[C@@H](O)COCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000020725316 276195698 /nfs/dbraw/zinc/19/56/98/276195698.db2.gz ANYWNDXQXDQLKB-WFRNDULYSA-N 1 0 336.520 2.218 50 0 EEAARO Cn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH+]1CCCC1)C2 ZINC000014751244 279395788 /nfs/dbraw/zinc/39/57/88/279395788.db2.gz NFMMFRCIWWNMOS-HNNXBMFYSA-N 1 0 330.476 2.389 50 0 EEAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1c(Cl)cccc1Cl ZINC000067872954 279598228 /nfs/dbraw/zinc/59/82/28/279598228.db2.gz LAQXUMNQRJEQRE-SKDRFNHKSA-N 1 0 344.242 2.060 50 0 EEAARO C[NH+](C)CCN1C(=O)[C@H]2[C@@H](C1=O)C1c3ccccc3C2c2ccccc21 ZINC000002462836 289153077 /nfs/dbraw/zinc/15/30/77/289153077.db2.gz LRPIMYBSFGDNJX-KHSMEXAKSA-N 1 0 346.430 2.440 50 0 EEAARO Cc1n[nH]c(C)c1CC(=O)NC[C@@H]1CCC2(CC[NH+](C(C)C)CC2)O1 ZINC000426668465 293094500 /nfs/dbraw/zinc/09/45/00/293094500.db2.gz SXCADYSVTKIARO-INIZCTEOSA-N 1 0 348.491 2.107 50 0 EEAARO CCOC(=O)[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000000176221 462545768 /nfs/dbraw/zinc/54/57/68/462545768.db2.gz CFPGBWPMBGCJOM-CYBMUJFWSA-N 1 0 348.399 2.019 50 0 EEAARO c1ccc2c(c1)nc(N1CC[NH+](C3CCCCC3)CC1)c1nnnn12 ZINC000004103879 462627941 /nfs/dbraw/zinc/62/79/41/462627941.db2.gz BMCCOVHVNSTSPN-UHFFFAOYSA-N 1 0 337.431 2.127 50 0 EEAARO NC(=O)COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@H]1CCCO1 ZINC000006747283 462702146 /nfs/dbraw/zinc/70/21/46/462702146.db2.gz BILYTFJVBDUPDT-LLVKDONJSA-N 1 0 333.215 2.126 50 0 EEAARO C[NH+](C)CCNC(=O)c1ccc(C[S@](=O)c2ccc(F)cc2)o1 ZINC000006895651 462712002 /nfs/dbraw/zinc/71/20/02/462712002.db2.gz HGZNTYGRIYZYOJ-HSZRJFAPSA-N 1 0 338.404 2.018 50 0 EEAARO CC(C)[NH+]1CCC(C(=O)N2CCC([C@H](O)c3ccccn3)CC2)CC1 ZINC000065404774 462765764 /nfs/dbraw/zinc/76/57/64/462765764.db2.gz PGHOWBXEZDPFFH-IBGZPJMESA-N 1 0 345.487 2.474 50 0 EEAARO Cc1nnc(SCCC(=O)N2CCC3(CC[N@@H+](C)C3)CC2)s1 ZINC000065419116 462769062 /nfs/dbraw/zinc/76/90/62/462769062.db2.gz LSNGPOLVOLWEIE-UHFFFAOYSA-N 1 0 340.518 2.273 50 0 EEAARO O=C(Nc1ccc(F)cn1)c1cccc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000065494504 462780832 /nfs/dbraw/zinc/78/08/32/462780832.db2.gz AKTGGAKJYSMETB-CALCHBBNSA-N 1 0 340.402 2.409 50 0 EEAARO O=C(Nc1cccc(-n2cnnn2)c1)[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC000012594138 462857754 /nfs/dbraw/zinc/85/77/54/462857754.db2.gz WQMYOHLILUPGMY-KRWDZBQOSA-N 1 0 340.431 2.255 50 0 EEAARO O=C1C[C@H]([NH2+]Cc2ccccc2OCCO)CN1C1CCCCCC1 ZINC000012589180 462858366 /nfs/dbraw/zinc/85/83/66/462858366.db2.gz OTHCPVGQSFMWGG-KRWDZBQOSA-N 1 0 346.471 2.471 50 0 EEAARO Cc1cc2c(cc1CN1CCC[C@@](O)(C[NH+]3CCCC3)C1)OCCO2 ZINC000077470361 462990229 /nfs/dbraw/zinc/99/02/29/462990229.db2.gz LVAFIXBKTLAQJP-HXUWFJFHSA-N 1 0 346.471 2.189 50 0 EEAARO CCc1nccn1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095499113 463094429 /nfs/dbraw/zinc/09/44/29/463094429.db2.gz MWEVZTGDSUEBAC-OAHLLOKOSA-N 1 0 330.432 2.067 50 0 EEAARO Cc1ocnc1C(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095504110 463096548 /nfs/dbraw/zinc/09/65/48/463096548.db2.gz YSMAZQZUOLGKON-HNNXBMFYSA-N 1 0 345.447 2.151 50 0 EEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000095519722 463101985 /nfs/dbraw/zinc/10/19/85/463101985.db2.gz KCWFAUHITBPMBV-GFCCVEGCSA-N 1 0 332.370 2.103 50 0 EEAARO C[C@@H](NC(=O)c1cccs1)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000028802757 463232300 /nfs/dbraw/zinc/23/23/00/463232300.db2.gz 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Cc1ccccc1SC1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000077321325 462967743 /nfs/dbraw/zinc/96/77/43/462967743.db2.gz GVJUWUSRIXZOPJ-OAHLLOKOSA-N 1 0 334.485 2.457 50 0 EEAARO Cc1nc2ccccc2nc1CN1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077439544 462984271 /nfs/dbraw/zinc/98/42/71/462984271.db2.gz ULULZDGVWJNXBY-HXUWFJFHSA-N 1 0 340.471 2.361 50 0 EEAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCn2cncn2)cc1 ZINC000077504056 462995672 /nfs/dbraw/zinc/99/56/72/462995672.db2.gz RQFVRNHKHQKWBX-SFHVURJKSA-N 1 0 341.459 2.484 50 0 EEAARO C[N@@H+]1CCC[C@]2(CCCN(C(=O)c3ccc4c(c3)OCCO4)C2)C1 ZINC000020682657 463028849 /nfs/dbraw/zinc/02/88/49/463028849.db2.gz ITDWQNXLJVDVSR-IBGZPJMESA-N 1 0 330.428 2.406 50 0 EEAARO CC(C)[NH+]1CCC(NC(=O)CCc2nc(-c3ccncc3)no2)CC1 ZINC000022989604 463058701 /nfs/dbraw/zinc/05/87/01/463058701.db2.gz KTUKLLBZPLOKKY-UHFFFAOYSA-N 1 0 343.431 2.053 50 0 EEAARO CCOC(=O)N1CCC([NH+]2CCN(c3ccccc3OC)CC2)CC1 ZINC000023283035 463063675 /nfs/dbraw/zinc/06/36/75/463063675.db2.gz 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CC(=O)N[C@H]1CCN(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000096141010 463185979 /nfs/dbraw/zinc/18/59/79/463185979.db2.gz KTEBKHQPXDHLPW-SFHVURJKSA-N 1 0 344.459 2.415 50 0 EEAARO CCN(CC)C(=O)[C@@H]1C[C@@H](NC(=O)c2ccoc2)C[N@@H+]1C1CCCC1 ZINC000096162878 463192603 /nfs/dbraw/zinc/19/26/03/463192603.db2.gz RWDCVTSVDKTDON-WBVHZDCISA-N 1 0 347.459 2.263 50 0 EEAARO O=C(NCC(F)(F)F)C1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000027781079 463205376 /nfs/dbraw/zinc/20/53/76/463205376.db2.gz QNMMIIJNBKQQTC-AWEZNQCLSA-N 1 0 330.350 2.111 50 0 EEAARO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCC[C@H](C(F)(F)F)C1 ZINC000028852749 463233582 /nfs/dbraw/zinc/23/35/82/463233582.db2.gz HBEFCGGDDICJMV-VIFPVBQESA-N 1 0 349.378 2.450 50 0 EEAARO COc1cc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc(OC)c1 ZINC000030636753 463307284 /nfs/dbraw/zinc/30/72/84/463307284.db2.gz DQWPTMYFTXYVAF-UHFFFAOYSA-N 1 0 343.427 2.225 50 0 EEAARO CCc1nnc2n1C[C@H]([NH2+][C@H](C)C(=O)NCCC1=CCCCC1)CC2 ZINC000097199506 463343855 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EEAARO OC1CC[NH+]([C@@H]2CCN(Cc3ccc4ccccc4c3)C[C@H]2O)CC1 ZINC000042437824 463563732 /nfs/dbraw/zinc/56/37/32/463563732.db2.gz PHOAJZWSNQBEPX-NHCUHLMSSA-N 1 0 340.467 2.232 50 0 EEAARO CC[C@@H]1CN(Cc2nc(C)c3ccccc3n2)CC[N@@H+]1C[C@H](C)O ZINC000107320757 463565323 /nfs/dbraw/zinc/56/53/23/463565323.db2.gz RCMLGELPKAFYNF-GOEBONIOSA-N 1 0 328.460 2.215 50 0 EEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1C[C@@H]1c1ccccc1 ZINC000058403411 463592094 /nfs/dbraw/zinc/59/20/94/463592094.db2.gz WBLNUIFMQHSMJP-AEFFLSMTSA-N 1 0 326.444 2.211 50 0 EEAARO CCn1nc(C)c(CNC(=O)N2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1C ZINC000110618396 463660354 /nfs/dbraw/zinc/66/03/54/463660354.db2.gz WHNVCTSVTRWJNU-RYQLBKOJSA-N 1 0 345.491 2.146 50 0 EEAARO C[NH+](C)[C@H]1[C@@H]2OCC[C@@H]2[C@@H]1NC(=O)Cc1ccccc1C(F)(F)F ZINC000220674763 464117941 /nfs/dbraw/zinc/11/79/41/464117941.db2.gz AKAUMGNPRCKYAS-MSQAHXEGSA-N 1 0 342.361 2.082 50 0 EEAARO [NH3+]Cc1cccc(CC(=O)N2CC[C@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000240178559 464445024 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C[NH+](C)Cc1ccc(CSCCNC(=O)[C@H]2CCC[C@H](O)C2)o1 ZINC000219702626 485532156 /nfs/dbraw/zinc/53/21/56/485532156.db2.gz XUNKBZBLPDKBEC-KBPBESRZSA-N 1 0 340.489 2.242 50 0 EEAARO Cc1cc(=O)cc(C(=O)NC2CC[NH+](Cc3cccs3)CC2)o1 ZINC000670441944 485642926 /nfs/dbraw/zinc/64/29/26/485642926.db2.gz FOYHBGBQIXWJGN-UHFFFAOYSA-N 1 0 332.425 2.404 50 0 EEAARO CC(C)[C@H](CC[NH2+][C@@H]1CS(=O)(=O)C[C@H]1O)c1ccc(Cl)cc1 ZINC000245255489 534978750 /nfs/dbraw/zinc/97/87/50/534978750.db2.gz IVQRGOYRMMQZOP-ARFHVFGLSA-N 1 0 345.892 2.217 50 0 EEAARO COc1ccc(-n2c(CC[NH3+])nnc2SC[C@H]2CCCO2)cc1 ZINC000426582750 536552760 /nfs/dbraw/zinc/55/27/60/536552760.db2.gz DYQOIEGLBBRBMM-CQSZACIVSA-N 1 0 334.445 2.048 50 0 EEAARO OCC[C@@H]1CN(Cc2cccnc2)CCN1Cc1ccc(F)cc1 ZINC000023374588 681388863 /nfs/dbraw/zinc/38/88/63/681388863.db2.gz SPTJSXGLDALHIV-LJQANCHMSA-N 1 0 329.419 2.290 50 0 EEAARO CC(C)n1cc(C(=O)N2CCC[N@H+](CC[C@@H]3CCOC3)CC2)cn1 ZINC000989466721 691956177 /nfs/dbraw/zinc/95/61/77/691956177.db2.gz 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/nfs/dbraw/zinc/89/70/86/792897086.db2.gz RGJUQYXGLPVWHD-UHFFFAOYSA-N 1 0 345.487 2.261 50 0 EEAARO CC[N@H+](C)CC(=O)N1CCC[C@H](CNC(=O)C2CCCCCC2)C1 ZINC000952969200 796100395 /nfs/dbraw/zinc/10/03/95/796100395.db2.gz AJIATJWNHNFTMT-MRXNPFEDSA-N 1 0 337.508 2.263 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN(c2cccc(C(=O)N(C)C)n2)CC1 ZINC001529155582 1121345578 /nfs/dbraw/zinc/34/55/78/1121345578.db2.gz UQNIZQKGGXBUIH-UHFFFAOYSA-N 1 0 339.443 2.204 50 0 EEAARO CC1(C)[C@@H]2C[C@H]1C(C[N@@H+]1CCCN(C(=O)Cn3cccn3)CC1)=CC2 ZINC001529197742 1121364757 /nfs/dbraw/zinc/36/47/57/1121364757.db2.gz VKQCHVAYNUVENV-ROUUACIJSA-N 1 0 342.487 2.410 50 0 EEAARO NC(=O)COc1c(Cl)cc(Cl)cc1C[NH2+]C[C@@H]1CCCO1 ZINC000006747281 201694565 /nfs/dbraw/zinc/69/45/65/201694565.db2.gz BILYTFJVBDUPDT-NSHDSACASA-N 1 0 333.215 2.126 50 0 EEAARO Cc1c(CN2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)cnn1C ZINC000019218975 202000779 /nfs/dbraw/zinc/00/07/79/202000779.db2.gz JCXUBWAAOBVQNQ-FQEVSTJZSA-N 1 0 342.487 2.106 50 0 EEAARO CCOC(=O)c1cnn(-c2ccccc2C)c1CN1CC[NH+](C)CC1 ZINC000019741888 202018031 /nfs/dbraw/zinc/01/80/31/202018031.db2.gz HGRSOORJXAGHTF-UHFFFAOYSA-N 1 0 342.443 2.105 50 0 EEAARO Cc1ccnc(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)c1 ZINC000020901776 202057170 /nfs/dbraw/zinc/05/71/70/202057170.db2.gz WTQNPNYOAUBALI-UHFFFAOYSA-N 1 0 327.388 2.063 50 0 EEAARO O=C(CCn1cccc1)NCCCN1CCC([NH+]2CCCCC2)CC1 ZINC000021016638 202060926 /nfs/dbraw/zinc/06/09/26/202060926.db2.gz CORQFUPWMNLWAU-UHFFFAOYSA-N 1 0 346.519 2.335 50 0 EEAARO CC[NH+]1CCN(CCCNc2nc(-c3cccc(OC)c3)no2)CC1 ZINC000022937588 202095135 /nfs/dbraw/zinc/09/51/35/202095135.db2.gz HDIXUSXAFDBBGU-UHFFFAOYSA-N 1 0 345.447 2.185 50 0 EEAARO O=C(NCC1CC[NH+](C2CCCC2)CC1)C(=O)Nc1ccccc1 ZINC000023127397 212350698 /nfs/dbraw/zinc/35/06/98/212350698.db2.gz QHHJOPINBSAKAY-UHFFFAOYSA-N 1 0 329.444 2.396 50 0 EEAARO C[NH+](C)CCN(Cc1cnc(N2CCCCC2)nc1)C[C@H]1CCCO1 ZINC000215169754 241112604 /nfs/dbraw/zinc/11/26/04/241112604.db2.gz MKKGKLOGLJTFFZ-GOSISDBHSA-N 1 0 347.507 2.010 50 0 EEAARO c1coc(-c2ncc(CN3CCCO[C@H](C[NH+]4CCCC4)C3)cn2)c1 ZINC000215918164 241152768 /nfs/dbraw/zinc/15/27/68/241152768.db2.gz QKWGLBPYOFYTJL-QGZVFWFLSA-N 1 0 342.443 2.423 50 0 EEAARO Cn1cc(CCC(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)cn1 ZINC000216380046 241185469 /nfs/dbraw/zinc/18/54/69/241185469.db2.gz KJXLANLKWVCCHQ-IBGZPJMESA-N 1 0 340.471 2.349 50 0 EEAARO O=C(CC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)NCCc1cccc(=O)[nH]1 ZINC000426473742 241294428 /nfs/dbraw/zinc/29/44/28/241294428.db2.gz YGDGJQMVNCXPIZ-DOTOQJQBSA-N 1 0 331.460 2.491 50 0 EEAARO CC[C@H](Sc1nnc(C2CC[NH2+]CC2)n1C)C(=O)NC(C)(C)C ZINC000426489773 241296939 /nfs/dbraw/zinc/29/69/39/241296939.db2.gz REGILADKYNQCTB-LBPRGKRZSA-N 1 0 339.509 2.068 50 0 EEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)[C@@H]3C[C@@H]4C=C[C@H]3C4)cc2C1 ZINC000426497301 241299668 /nfs/dbraw/zinc/29/96/68/241299668.db2.gz RHHOQHOLOBLYJY-RVKKMQEKSA-N 1 0 328.460 2.327 50 0 EEAARO O=C(NCc1ccccc1-n1cncn1)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072139146 284008194 /nfs/dbraw/zinc/00/81/94/284008194.db2.gz ORDCHMNFHOIXKA-OAHLLOKOSA-N 1 0 347.422 2.274 50 0 EEAARO CC1=NO[C@@](C)(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000244563984 243039476 /nfs/dbraw/zinc/03/94/76/243039476.db2.gz CKRXUUCBOXISPS-LJQANCHMSA-N 1 0 329.444 2.365 50 0 EEAARO Cc1nc(CC2CC[NH+](CCC(=O)Nc3cccnc3)CC2)no1 ZINC000244882825 243096484 /nfs/dbraw/zinc/09/64/84/243096484.db2.gz XZRURLYTGMCZTH-UHFFFAOYSA-N 1 0 329.404 2.056 50 0 EEAARO C/C(=C\c1cc(Cl)ccc1O)C[NH+]1CCC2(CC1)NCCNC2=O ZINC000067642028 202920956 /nfs/dbraw/zinc/92/09/56/202920956.db2.gz HSSRWUFIZRJTTE-JLHYYAGUSA-N 1 0 349.862 2.003 50 0 EEAARO Cc1ccc(NC(=O)CC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)c(C)c1 ZINC000067648877 202922988 /nfs/dbraw/zinc/92/29/88/202922988.db2.gz ZFQRZKDVNPKRFK-IBGZPJMESA-N 1 0 329.444 2.234 50 0 EEAARO Cc1cccc2nc(C(=O)NC[C@H]3CC[N@@H+](CC(C)C)C3)c(F)n21 ZINC000071278952 203088848 /nfs/dbraw/zinc/08/88/48/203088848.db2.gz MUTXMFAEHHCXBG-CQSZACIVSA-N 1 0 332.423 2.490 50 0 EEAARO Cc1cnc(C(=O)N2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072122321 203163963 /nfs/dbraw/zinc/16/39/63/203163963.db2.gz QMRPKAORQBKQOV-SFHVURJKSA-N 1 0 336.439 2.100 50 0 EEAARO Cc1cc2nc(C(C)C)cc(N(C)C[C@H]3CCC[N@H+](CCO)C3)n2n1 ZINC000072477485 203231573 /nfs/dbraw/zinc/23/15/73/203231573.db2.gz IIROFQKZSNWUKM-MRXNPFEDSA-N 1 0 345.491 2.302 50 0 EEAARO CCc1ccc2nc(C)cc(C(=O)NCC[NH+]3CCC(O)CC3)c2c1 ZINC000077354142 203382843 /nfs/dbraw/zinc/38/28/43/203382843.db2.gz GFDNPVKNGNKBKI-UHFFFAOYSA-N 1 0 341.455 2.292 50 0 EEAARO O=C(c1cc2c([nH]c1=O)CCC2)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000077376386 203383463 /nfs/dbraw/zinc/38/34/63/203383463.db2.gz FWPRCQVXGJWCGY-OAHLLOKOSA-N 1 0 343.471 2.202 50 0 EEAARO C[NH+]1CCC(N(Cc2ccncc2)C(=O)c2cnn3ccccc23)CC1 ZINC000077385326 203384247 /nfs/dbraw/zinc/38/42/47/203384247.db2.gz HDRRHWMJOHITTQ-UHFFFAOYSA-N 1 0 349.438 2.466 50 0 EEAARO Cc1cccc(SC2CCN(C(=O)[C@@H]([NH3+])Cc3cnc[nH]3)CC2)c1 ZINC000077487883 203391119 /nfs/dbraw/zinc/39/11/19/203391119.db2.gz YLKACNWAFPQMQT-KRWDZBQOSA-N 1 0 344.484 2.371 50 0 EEAARO CCCCC[NH+]1CCC(c2nnc(CN3CCC(O)CC3)n2C)CC1 ZINC000077535074 203393849 /nfs/dbraw/zinc/39/38/49/203393849.db2.gz OTSJFXNIUJTSMY-UHFFFAOYSA-N 1 0 349.523 2.141 50 0 EEAARO Cc1nc[nH]c1CSCC[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082097493 203494948 /nfs/dbraw/zinc/49/49/48/203494948.db2.gz CEGNGGFZHHUILN-AWEZNQCLSA-N 1 0 325.478 2.269 50 0 EEAARO CCN1CC2(CCC1=O)CC[NH+](Cc1[nH]cc(C)c(=O)c1C)CC2 ZINC000091619838 203642261 /nfs/dbraw/zinc/64/22/61/203642261.db2.gz NNAZXTXKMNTLMM-UHFFFAOYSA-N 1 0 331.460 2.216 50 0 EEAARO COc1cc(C)ccc1OCCC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101277854 204003948 /nfs/dbraw/zinc/00/39/48/204003948.db2.gz KLDHODKDQXKJHC-INIZCTEOSA-N 1 0 330.428 2.245 50 0 EEAARO C[C@H](OC[C@H]1CCCCO1)C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000106756249 204209869 /nfs/dbraw/zinc/20/98/69/204209869.db2.gz DHUKUTNFYIBLCR-QXAKKESOSA-N 1 0 346.471 2.351 50 0 EEAARO O[C@@H](Cn1cccn1)C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000106788707 204211405 /nfs/dbraw/zinc/21/14/05/204211405.db2.gz BQRICXGILZAUHA-LSDHHAIUSA-N 1 0 326.400 2.265 50 0 EEAARO Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000128578353 205152619 /nfs/dbraw/zinc/15/26/19/205152619.db2.gz GMSCAYRFJQYCPR-NSHDSACASA-N 1 0 336.461 2.478 50 0 EEAARO Cc1cccc(C)c1NC(=O)C(=O)NCC1CC[NH+](C(C)C)CC1 ZINC000012441408 207145187 /nfs/dbraw/zinc/14/51/87/207145187.db2.gz ZOIXUQQJFXWTPT-UHFFFAOYSA-N 1 0 331.460 2.479 50 0 EEAARO Cc1ccc(C(=O)N2CC(c3nccs3)C2)cc1OCCC[NH3+] ZINC000299775326 258085794 /nfs/dbraw/zinc/08/57/94/258085794.db2.gz BHRVETMSXFDHGF-UHFFFAOYSA-N 1 0 331.441 2.419 50 0 EEAARO Cc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1N1CCCC1=O ZINC000299778262 258088414 /nfs/dbraw/zinc/08/84/14/258088414.db2.gz PYTPKODVFUCAER-OAHLLOKOSA-N 1 0 330.432 2.290 50 0 EEAARO O=C(NC[C@@H]1COCCO1)c1ccc(C[NH+]2CCCCCC2)cc1 ZINC000299782870 258091463 /nfs/dbraw/zinc/09/14/63/258091463.db2.gz WDZNXNIEPTXSTD-GOSISDBHSA-N 1 0 332.444 2.208 50 0 EEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc(Cl)cc1F ZINC000299787290 258093379 /nfs/dbraw/zinc/09/33/79/258093379.db2.gz SJZLRTLPDDEFTR-GJZGRUSLSA-N 1 0 326.799 2.462 50 0 EEAARO CC(C)c1ccc(C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c(=O)n1C ZINC000299795620 258099756 /nfs/dbraw/zinc/09/97/56/258099756.db2.gz LPWFUFJBOOBWPC-CQSZACIVSA-N 1 0 331.460 2.208 50 0 EEAARO CNC(=O)c1ccc(C)c(NC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000299796871 258100898 /nfs/dbraw/zinc/10/08/98/258100898.db2.gz OTMNGVSQAXLCTL-HNNXBMFYSA-N 1 0 330.432 2.057 50 0 EEAARO COCCN(C(=O)Nc1cccc(N(C)C)c1)C1CC[NH+](C)CC1 ZINC000299767678 258082270 /nfs/dbraw/zinc/08/22/70/258082270.db2.gz IRAKNIBHMYVPMX-UHFFFAOYSA-N 1 0 334.464 2.327 50 0 EEAARO CC(=O)N1CCN(c2ncccc2C[NH2+]C[C@@H]2CC=CCC2)CC1 ZINC000015063200 135706769 /nfs/dbraw/zinc/70/67/69/135706769.db2.gz MSJKKOWRMPEAEH-QGZVFWFLSA-N 1 0 328.460 2.196 50 0 EEAARO CCOC(=O)N1CCC([NH2+][C@@H]2CCCc3nc(N(C)C)ncc32)CC1 ZINC000015063893 276281986 /nfs/dbraw/zinc/28/19/86/276281986.db2.gz 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EEAARO COc1cccc(-n2c(C[NH3+])nnc2SCC[C@H]2CCOC2)c1 ZINC000426374111 537072091 /nfs/dbraw/zinc/07/20/91/537072091.db2.gz CARNFYJGWQIKGF-GFCCVEGCSA-N 1 0 334.445 2.253 50 0 EEAARO N#Cc1ccc(C[N@H+]2CCCN(C(=O)C[C@H]3CCCOC3)CC2)cc1 ZINC000192454826 1406114171 /nfs/dbraw/zinc/11/41/71/1406114171.db2.gz RNMSAMARDBJCDU-LJQANCHMSA-N 1 0 341.455 2.409 50 0 EEAARO CN1CC[C@@H]2C[N@@H+](C3CCN(CCc4ccccc4)CC3)C[C@@H]2C1=O ZINC001772804697 1410368099 /nfs/dbraw/zinc/36/80/99/1410368099.db2.gz CYIAKOHACLVHOH-QUCCMNQESA-N 1 0 341.499 2.104 50 0 EEAARO Cn1ccc(C2CC[NH+](C[C@@H]3COc4ccccc4O3)CC2)cc1=O ZINC001772812448 1410369653 /nfs/dbraw/zinc/36/96/53/1410369653.db2.gz JIJABDKBVMMQIP-QGZVFWFLSA-N 1 0 340.423 2.405 50 0 EEAARO C[N@@H+]1CCOC2(CCN(C(=O)c3cccc(-c4ncc[nH]4)c3)CC2)C1 ZINC001772817261 1410372733 /nfs/dbraw/zinc/37/27/33/1410372733.db2.gz AENOFDKJVNNMEB-UHFFFAOYSA-N 1 0 340.427 2.014 50 0 EEAARO O=S(=O)(Cc1ccccc1)N[C@H]1CCN(Cc2ccsc2)C1 ZINC000675008069 769025139 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CN(CCC[NH+]1CCCCCC1)c1cncc(C(=O)N2CCCC2)n1 ZINC001529173823 1121353761 /nfs/dbraw/zinc/35/37/61/1121353761.db2.gz QDUNIWAMNGHRES-UHFFFAOYSA-N 1 0 345.491 2.415 50 0 EEAARO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)NC(=O)C[NH+](C)C ZINC000012592520 201857267 /nfs/dbraw/zinc/85/72/67/201857267.db2.gz CPAWKSFTLDVWNU-CQSZACIVSA-N 1 0 333.480 2.294 50 0 EEAARO CC(=O)c1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)o1 ZINC000423518567 539943652 /nfs/dbraw/zinc/94/36/52/539943652.db2.gz UZEJTCQHNCYZJW-CABCVRRESA-N 1 0 330.359 2.497 50 0 EEAARO Cc1nn(C)c(C)c1-c1ccnc(N2CCC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000019607313 202015583 /nfs/dbraw/zinc/01/55/83/202015583.db2.gz WFTOCWYHAXCRTH-OAHLLOKOSA-N 1 0 326.448 2.168 50 0 EEAARO CC(C)[N@@H+]1CCN(Cc2cnn(-c3ccccc3F)c2)C[C@@H]1CCO ZINC000020909689 202058469 /nfs/dbraw/zinc/05/84/69/202058469.db2.gz MRBCARARFOYCTN-KRWDZBQOSA-N 1 0 346.450 2.288 50 0 EEAARO CC[NH+](CC)[C@H](CNC(=O)CSc1nncs1)c1ccco1 ZINC000027336646 202153943 /nfs/dbraw/zinc/15/39/43/202153943.db2.gz DHZCVRNTYULVCE-LLVKDONJSA-N 1 0 340.474 2.423 50 0 EEAARO C[NH+](C)Cc1cccc(CN/C=C2\c3ccccc3C(=O)NC2=O)c1 ZINC000032080342 202219935 /nfs/dbraw/zinc/21/99/35/202219935.db2.gz POOPZHQADYAZTF-LDADJPATSA-N 1 0 335.407 2.149 50 0 EEAARO CCCOCC[NH+]1CCC(c2cc(N3CCOCC3)nc(C)n2)CC1 ZINC000072478732 216257374 /nfs/dbraw/zinc/25/73/74/216257374.db2.gz NELWFMUNTNSCSI-UHFFFAOYSA-N 1 0 348.491 2.228 50 0 EEAARO CCNc1ncc(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000091587099 201372529 /nfs/dbraw/zinc/37/25/29/201372529.db2.gz PEDVGQGISXGMEX-KRWDZBQOSA-N 1 0 339.443 2.303 50 0 EEAARO CNC(=O)C1(NC(=O)c2cccc([C@H]3CCC[NH2+]C3)c2)CCCCC1 ZINC000215258358 241115574 /nfs/dbraw/zinc/11/55/74/241115574.db2.gz JXVHVPOTHIZSSD-KRWDZBQOSA-N 1 0 343.471 2.332 50 0 EEAARO Cc1nn(C)cc1CSc1nnc(C[NH3+])n1-c1ccc(F)cc1 ZINC000426368219 241269019 /nfs/dbraw/zinc/26/90/19/241269019.db2.gz GLBKKRYOCHBUHY-UHFFFAOYSA-N 1 0 332.408 2.199 50 0 EEAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCc1ccccc1Cl ZINC000426396677 241277079 /nfs/dbraw/zinc/27/70/79/241277079.db2.gz VJGURBYLCUPXGY-HNNXBMFYSA-N 1 0 346.862 2.362 50 0 EEAARO Cc1nnc([C@@H]2CCCN2C(=O)C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000426647072 241321096 /nfs/dbraw/zinc/32/10/96/241321096.db2.gz KMKHOYVAIVXARO-INIZCTEOSA-N 1 0 331.464 2.431 50 0 EEAARO C[C@@H](C1CCN(C(=O)c2cccn3cnnc23)CC1)[NH+]1CCCC1 ZINC000426684509 241324595 /nfs/dbraw/zinc/32/45/95/241324595.db2.gz OJZUNBPSMTWXPZ-AWEZNQCLSA-N 1 0 327.432 2.066 50 0 EEAARO O=C(NCCc1noc(C(F)(F)F)n1)[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000426424188 241282436 /nfs/dbraw/zinc/28/24/36/241282436.db2.gz CUSLOCBRGBXGCV-GHMZBOCLSA-N 1 0 346.353 2.012 50 0 EEAARO COc1cccc(CC(=O)NCC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000021057250 212204684 /nfs/dbraw/zinc/20/46/84/212204684.db2.gz VJPAFCXJQLGJTQ-HUUCEWRRSA-N 1 0 334.460 2.242 50 0 EEAARO CCOc1ncccc1CNc1cc([C@H]2C[C@H]([NH3+])C2)nc(COC)n1 ZINC000244828573 243088114 /nfs/dbraw/zinc/08/81/14/243088114.db2.gz TYRWUXCWPSMDSW-HDJSIYSDSA-N 1 0 343.431 2.234 50 0 EEAARO CCC(C)(C)OC[C@H](O)C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000020818668 212174395 /nfs/dbraw/zinc/17/43/95/212174395.db2.gz BGPKJZGNGMXTEZ-MRXNPFEDSA-N 1 0 336.476 2.383 50 0 EEAARO O=C(c1cc(-n2cccc2)ccc1O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000067774765 202934071 /nfs/dbraw/zinc/93/40/71/202934071.db2.gz SRGMYCPFGBWJEC-LJQANCHMSA-N 1 0 325.412 2.399 50 0 EEAARO Cc1ncc(C(=O)N2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)cn1 ZINC000071405753 203095620 /nfs/dbraw/zinc/09/56/20/203095620.db2.gz DYVZNEUQNIMQHK-XUVXKRRUSA-N 1 0 348.450 2.487 50 0 EEAARO O=C(NC1CC1)[C@@H]1CCC[N@@H+](C2CCN(Cc3nccs3)CC2)C1 ZINC000071708145 203103461 /nfs/dbraw/zinc/10/34/61/203103461.db2.gz QREFTJBGPCMBEH-CQSZACIVSA-N 1 0 348.516 2.098 50 0 EEAARO CC(C)[C@@H]1CN(C(=O)c2n[nH]c3c2CCC3)CCC[N@@H+]1CC1CC1 ZINC000071746096 203105473 /nfs/dbraw/zinc/10/54/73/203105473.db2.gz VPSDPNBLPOPHFU-KRWDZBQOSA-N 1 0 330.476 2.481 50 0 EEAARO CCCCc1nc(-c2nccn2CC[N@@H+]2CCCC[C@@H]2CO)c[nH]1 ZINC000071721259 203105544 /nfs/dbraw/zinc/10/55/44/203105544.db2.gz VWQPIZHOJQPOPB-OAHLLOKOSA-N 1 0 331.464 2.463 50 0 EEAARO O=S(=O)(N[C@@H]1CCC[N@H+](CCc2ccccc2)C1)c1cccnc1 ZINC000072143064 203168412 /nfs/dbraw/zinc/16/84/12/203168412.db2.gz HDWUPJPSBCIBMI-QGZVFWFLSA-N 1 0 345.468 2.067 50 0 EEAARO CN(Cc1cc2n(n1)CCC[N@H+](C)C2)Cc1ccc2nccnc2c1 ZINC000072161848 203177256 /nfs/dbraw/zinc/17/72/56/203177256.db2.gz BDYUPINCBPMPGE-UHFFFAOYSA-N 1 0 336.443 2.294 50 0 EEAARO CC[N@H+](C)C1(CNS(=O)(=O)NCc2ccccc2)CCCCC1 ZINC000072168903 203180765 /nfs/dbraw/zinc/18/07/65/203180765.db2.gz DMYMMTUNXIWNKQ-UHFFFAOYSA-N 1 0 339.505 2.265 50 0 EEAARO Cc1cc(C[N@@H+]2CCC[C@H](Cn3cc(-c4ccccn4)nn3)C2)[nH]n1 ZINC000020166058 212108819 /nfs/dbraw/zinc/10/88/19/212108819.db2.gz VMRUZDNVLWPYEH-HNNXBMFYSA-N 1 0 337.431 2.284 50 0 EEAARO CCN1CC2(CC1=O)CC[NH+](Cc1[nH]nc3ccc(OC)cc31)CC2 ZINC000072408866 203215893 /nfs/dbraw/zinc/21/58/93/203215893.db2.gz NWXZZYPDKAFDNZ-UHFFFAOYSA-N 1 0 342.443 2.406 50 0 EEAARO FC1(F)Oc2cccc(-n3ccnc3-c3cc4n(n3)CC[NH2+]C4)c2O1 ZINC000072412326 203217309 /nfs/dbraw/zinc/21/73/09/203217309.db2.gz YXYNBQYBQGOHDT-UHFFFAOYSA-N 1 0 345.309 2.161 50 0 EEAARO c1ccc(-c2nc3c(c(NCC[C@H]4CCOC4)n2)CC[NH2+]CC3)nc1 ZINC000072436597 203224107 /nfs/dbraw/zinc/22/41/07/203224107.db2.gz FGTYCZYNHBRTLC-AWEZNQCLSA-N 1 0 339.443 2.065 50 0 EEAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)o1 ZINC000077488193 203391472 /nfs/dbraw/zinc/39/14/72/203391472.db2.gz QWBJMGHHPHQNJE-LJQANCHMSA-N 1 0 345.443 2.006 50 0 EEAARO COc1ccc(OC2CCN(C(=O)[C@@H]([NH3+])CCSC)CC2)cc1 ZINC000077536863 203393649 /nfs/dbraw/zinc/39/36/49/203393649.db2.gz GQPUOXOTYOBHSJ-INIZCTEOSA-N 1 0 338.473 2.145 50 0 EEAARO O=c1c(=O)c(NC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)c1NCc1ccco1 ZINC000100795000 206256192 /nfs/dbraw/zinc/25/61/92/206256192.db2.gz ZLFZSHHBOTVGOY-DZGCQCFKSA-N 1 0 343.427 2.164 50 0 biogenic EEAARO CCc1nc(C)ccc1OCC(=O)N1C[C@H]([NH3+])[C@@H](c2ccc(C)o2)C1 ZINC000091452682 218009339 /nfs/dbraw/zinc/00/93/39/218009339.db2.gz LUONQYDNZQRFLC-GJZGRUSLSA-N 1 0 343.427 2.186 50 0 EEAARO CN(C)C(=O)c1ccc(N2CCC([NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000299783568 258091089 /nfs/dbraw/zinc/09/10/89/258091089.db2.gz VPLZCPWZZNADHT-GOSISDBHSA-N 1 0 331.460 2.126 50 0 EEAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccccc3OCCO)[C@H]2C1 ZINC000299789056 258095260 /nfs/dbraw/zinc/09/52/60/258095260.db2.gz YNACTPOOAUYOPV-YTQUADARSA-N 1 0 335.444 2.216 50 0 EEAARO O=C([C@H]1CCC[NH2+]CC1)N1CCN(Cc2cccc(Cl)c2)CC1 ZINC000299795071 258099798 /nfs/dbraw/zinc/09/97/98/258099798.db2.gz KGTNWDQSZIPVER-INIZCTEOSA-N 1 0 335.879 2.374 50 0 EEAARO c1cc(-c2ccc(C[N@@H+]3CC[C@H]4[C@H](C3)OCc3cnnn34)s2)n[nH]1 ZINC000299797931 258102029 /nfs/dbraw/zinc/10/20/29/258102029.db2.gz PKOCCZZSEUSKJP-GJZGRUSLSA-N 1 0 342.428 2.076 50 0 EEAARO Cc1oc2c(c1C(=O)NC[C@@H](O)C[NH+]1CCCCCC1)C(=O)CCC2 ZINC000299801781 258105064 /nfs/dbraw/zinc/10/50/64/258105064.db2.gz ZBXBKQGUJGDNKB-CQSZACIVSA-N 1 0 348.443 2.074 50 0 EEAARO Cc1nc(CNc2nc(NC3CC3)nc3c2CC[NH2+]CC3)cs1 ZINC000072477941 258064759 /nfs/dbraw/zinc/06/47/59/258064759.db2.gz WAHPAOJQFZGOFW-UHFFFAOYSA-N 1 0 330.461 2.116 50 0 EEAARO COc1nccnc1-c1cccc(C(=O)NCCC[NH+]2CCCC2)c1 ZINC000299761079 258077683 /nfs/dbraw/zinc/07/76/83/258077683.db2.gz QZVVXYUULLPJCH-UHFFFAOYSA-N 1 0 340.427 2.368 50 0 EEAARO COc1ccc([N+]2=C3COCCN3C[C@@]2(O)c2ccc(C)cc2)cc1 ZINC000001779550 286325215 /nfs/dbraw/zinc/32/52/15/286325215.db2.gz DYWZIOJJRUINNM-HXUWFJFHSA-N 1 0 339.415 2.110 50 0 EEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1cccc(OC)c1 ZINC000021868530 276152356 /nfs/dbraw/zinc/15/23/56/276152356.db2.gz FUTYKODXUQWUFD-UHFFFAOYSA-N 1 0 344.411 2.362 50 0 biogenic EEAARO CN1CC[C@H]2C[N@@H+](C3CCN(c4nc5ccccc5o4)CC3)C[C@H]21 ZINC000095384106 277179246 /nfs/dbraw/zinc/17/92/46/277179246.db2.gz BIDVMHAJMUPUFR-WMLDXEAASA-N 1 0 326.444 2.433 50 0 EEAARO CC[C@H](C)NC(=O)c1sc2ncnc(N3CC[NH+](C)CC3)c2c1C ZINC000033048195 280748555 /nfs/dbraw/zinc/74/85/55/280748555.db2.gz SAQGIKZWWJSLBL-NSHDSACASA-N 1 0 347.488 2.280 50 0 EEAARO C[N@@H+]1CCC[C@@H](OC(=O)COc2ccc(Br)cc2)C1 ZINC000000472873 462565916 /nfs/dbraw/zinc/56/59/16/462565916.db2.gz ZNERHFHGOIDZBU-CYBMUJFWSA-N 1 0 328.206 2.465 50 0 EEAARO COc1cccc(OCCN(C)C(=O)N[C@H](C)C[NH+]2CCCC2)c1 ZINC000534657463 468271167 /nfs/dbraw/zinc/27/11/67/468271167.db2.gz OPCFVTBWEQKXCA-OAHLLOKOSA-N 1 0 335.448 2.200 50 0 EEAARO O=C(N[C@@H]1C[NH+]2CCC1CC2)c1cc(Br)cc2[nH]cnc21 ZINC000000385643 462558235 /nfs/dbraw/zinc/55/82/35/462558235.db2.gz QPXFEYWQPIKKED-CYBMUJFWSA-N 1 0 349.232 2.149 50 0 EEAARO CCOC(=O)c1cnc2c(CC)cccc2c1NCCOCCO ZINC000001911126 462588077 /nfs/dbraw/zinc/58/80/77/462588077.db2.gz LSBBORODOAWYMX-UHFFFAOYSA-N 1 0 332.400 2.395 50 0 EEAARO O=C(COc1ccc2c(c1)CCC2)N1CCN(c2ccccn2)CC1 ZINC000004802083 462638185 /nfs/dbraw/zinc/63/81/85/462638185.db2.gz SZSXSPPXFJLAIO-UHFFFAOYSA-N 1 0 337.423 2.298 50 0 EEAARO NC(=O)CCn1cc(C[NH2+]CCNc2cccnc2)c2ccccc21 ZINC000063870731 462680774 /nfs/dbraw/zinc/68/07/74/462680774.db2.gz QTZWVDGBTMKRKO-UHFFFAOYSA-N 1 0 337.427 2.113 50 0 EEAARO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000006553574 462689180 /nfs/dbraw/zinc/68/91/80/462689180.db2.gz CEBBZYOPSHRSLV-QWHCGFSZSA-N 1 0 328.416 2.307 50 0 EEAARO Cc1cccc(C)c1NC(=O)CNC(=O)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000007811205 462752312 /nfs/dbraw/zinc/75/23/12/462752312.db2.gz HNGRIMWLOKMNDZ-ZIAGYGMSSA-N 1 0 331.460 2.336 50 0 EEAARO Cc1nc(N(C)C)cc(NCCNC(=O)Nc2cccc(F)c2)[nH+]1 ZINC000065364840 462758419 /nfs/dbraw/zinc/75/84/19/462758419.db2.gz QYEPQNPAJVOYJN-UHFFFAOYSA-N 1 0 332.383 2.224 50 0 EEAARO COc1ccccc1OC1CN(C(=O)CC[C@H]2CCC[N@H+](C)C2)C1 ZINC000065407124 462766928 /nfs/dbraw/zinc/76/69/28/462766928.db2.gz WKGGFDXWVWEJLL-OAHLLOKOSA-N 1 0 332.444 2.407 50 0 EEAARO CC(=O)Nc1ccc(CNC(=O)C[NH2+]CCc2ccccc2)cc1 ZINC000065527608 462790264 /nfs/dbraw/zinc/79/02/64/462790264.db2.gz GEUJWABBTZXAGD-UHFFFAOYSA-N 1 0 325.412 2.094 50 0 EEAARO C[C@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000012380603 462851666 /nfs/dbraw/zinc/85/16/66/462851666.db2.gz IWXMUXUIRGTJHF-NSHDSACASA-N 1 0 341.249 2.427 50 0 EEAARO C[C@@H]1CN(C(=O)C[NH+]2CCC(c3ccccc3)CC2)C[C@@]1(O)C1CC1 ZINC000091593022 462891155 /nfs/dbraw/zinc/89/11/55/462891155.db2.gz RGFMBUYRHDBCCF-IERDGZPVSA-N 1 0 342.483 2.485 50 0 EEAARO Cc1csc(C[N@@H+]2CC[C@@]3(C2)CCCN(C2CCOCC2)C3=O)n1 ZINC000091782078 462906743 /nfs/dbraw/zinc/90/67/43/462906743.db2.gz XTISPWTUTRHOKJ-GOSISDBHSA-N 1 0 349.500 2.445 50 0 EEAARO CC[C@]1(CO)CCC[N@@H+](C2CCN(C(=O)c3cccnc3)CC2)C1 ZINC000091951806 462914637 /nfs/dbraw/zinc/91/46/37/462914637.db2.gz CBZKJKGRPXRQEM-IBGZPJMESA-N 1 0 331.460 2.171 50 0 EEAARO Cc1ccccc1CCC(=O)N1CC[C@H]([NH+](C)C)[C@H](CCCO)C1 ZINC000092028730 462920612 /nfs/dbraw/zinc/92/06/12/462920612.db2.gz ZMERBMUFUBTZMM-MOPGFXCFSA-N 1 0 332.488 2.479 50 0 EEAARO O=c1cc(N2CC[NH2+]CC2)cnn1Cc1c(Cl)cccc1Cl ZINC000020212527 463024977 /nfs/dbraw/zinc/02/49/77/463024977.db2.gz 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Cc1ccccc1CC[C@H]1CCC[N@H+](Cc2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000072151652 203172650 /nfs/dbraw/zinc/17/26/50/203172650.db2.gz SNCQCCUGYSPXBT-OAHLLOKOSA-N 1 0 327.428 2.216 50 0 EEAARO C[NH+](C)[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cn(-c2ccccc2)nn1 ZINC000072152776 203173108 /nfs/dbraw/zinc/17/31/08/203173108.db2.gz WVDWJRWHBGIJNO-RTBURBONSA-N 1 0 347.422 2.225 50 0 EEAARO Cc1ccn(CC(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)n1 ZINC000072440376 203225438 /nfs/dbraw/zinc/22/54/38/203225438.db2.gz UCIIMYWXHBWUTH-UHFFFAOYSA-N 1 0 342.487 2.305 50 0 EEAARO O=C(c1ccc2n[nH]nc2c1)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000072474528 203230381 /nfs/dbraw/zinc/23/03/81/203230381.db2.gz QRKWFFVSUPQKTA-UHFFFAOYSA-N 1 0 341.440 2.368 50 0 EEAARO CCc1cc(N2CCC([NH+]3CCSCC3)CC2)n2nccc2n1 ZINC000072409070 203215648 /nfs/dbraw/zinc/21/56/48/203215648.db2.gz QRGDPNJHFRNRME-UHFFFAOYSA-N 1 0 331.489 2.309 50 0 EEAARO CSCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3[nH]cnc3C)CC[C@H]21 ZINC000072435955 203224191 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CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@@H](CNC(=O)C2CCC2)C1 ZINC000067774943 463049412 /nfs/dbraw/zinc/04/94/12/463049412.db2.gz GZHTZLFEUAFVBM-LBPRGKRZSA-N 1 0 338.883 2.374 50 0 EEAARO COc1cccc(NC(=O)NC[C@@H]2CC[N@H+](Cc3cnc(C)[nH]3)C2)c1 ZINC000067769583 463049769 /nfs/dbraw/zinc/04/97/69/463049769.db2.gz DNBKJFITUCFVHD-AWEZNQCLSA-N 1 0 343.431 2.370 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(COc2ccccc2)n[nH]1 ZINC000067804688 463053483 /nfs/dbraw/zinc/05/34/83/463053483.db2.gz VMLNFKCJMVEWKG-OAHLLOKOSA-N 1 0 328.416 2.203 50 0 EEAARO CC[NH+]1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@H]2C(C)C)CC1 ZINC000022859074 463057444 /nfs/dbraw/zinc/05/74/44/463057444.db2.gz KVOWRJFVDKLSCJ-YDZRNGNQSA-N 1 0 326.525 2.462 50 0 EEAARO O=C1N[C@@](Cc2ccccc2)(C2CC[NH2+]CC2)C(=O)N1C1CCCC1 ZINC000067868700 463060923 /nfs/dbraw/zinc/06/09/23/463060923.db2.gz SGWCLDXLZPSXMS-FQEVSTJZSA-N 1 0 341.455 2.462 50 0 EEAARO Cc1cc2c(cc1C[N@@H+]1CC[C@@H](CNC(=O)C3CCC3)C1)OCO2 ZINC000067908529 463066076 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[NH3+]CC[C@@H]1CN(C(=O)Nc2ccccc2Oc2cccnc2)CCO1 ZINC000096180632 463193693 /nfs/dbraw/zinc/19/36/93/463193693.db2.gz SNDHMSSQBYETPA-OAHLLOKOSA-N 1 0 342.399 2.455 50 0 EEAARO Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055132370 463288762 /nfs/dbraw/zinc/28/87/62/463288762.db2.gz JMFAFEMVSRCKTD-OAHLLOKOSA-N 1 0 330.432 2.190 50 0 EEAARO COc1ccc(C2(CNC(=O)C3(O)CC[NH+](C)CC3)CCCC2)cc1 ZINC000097323877 463353479 /nfs/dbraw/zinc/35/34/79/463353479.db2.gz RBQVSCGTLYBVNU-UHFFFAOYSA-N 1 0 346.471 2.080 50 0 EEAARO c1c(C[N@@H+]2CCCO[C@H](CN3CCOCC3)C2)oc2ccccc12 ZINC000097657249 463360944 /nfs/dbraw/zinc/36/09/44/463360944.db2.gz FVTIBJSJTZSACD-GOSISDBHSA-N 1 0 330.428 2.356 50 0 EEAARO Cn1c(CO)nnc1C1CC[NH+](Cc2ccnc3ccccc23)CC1 ZINC000097805621 463363115 /nfs/dbraw/zinc/36/31/15/463363115.db2.gz BKELGXDDOAQJBF-UHFFFAOYSA-N 1 0 337.427 2.235 50 0 EEAARO Cc1nnsc1SCCNc1cc([C@H]2CCC[NH2+]C2)ncn1 ZINC000039358105 463450217 /nfs/dbraw/zinc/45/02/17/463450217.db2.gz 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COC(=O)c1cn(CC2([NH+](C)C)CCCCC2)cc2c(=O)[nH]nc1-2 ZINC000409415571 466687671 /nfs/dbraw/zinc/68/76/71/466687671.db2.gz QJSVMHMUOYSPIZ-UHFFFAOYSA-N 1 0 332.404 2.140 50 0 EEAARO O=c1c2ccccc2cnn1CC[NH2+][C@@H]1CCN(c2ccccc2)C1 ZINC000534578577 468263413 /nfs/dbraw/zinc/26/34/13/468263413.db2.gz NENFUFQEEUUUDH-QGZVFWFLSA-N 1 0 334.423 2.265 50 0 EEAARO C[C@H](CNS(=O)(=O)C1CC1)[NH2+]C1(Cc2ccc(Cl)cc2)CC1 ZINC000534589960 468266677 /nfs/dbraw/zinc/26/66/77/468266677.db2.gz NNRZVFSWGAYXLE-GFCCVEGCSA-N 1 0 342.892 2.475 50 0 EEAARO CCO[C@H]1C[N@@H+](C2CCN(c3ccc(F)c(F)c3)CC2)C[C@@H]1O ZINC000223935610 485533973 /nfs/dbraw/zinc/53/39/73/485533973.db2.gz QLTVJNSJCGLCBW-IRXDYDNUSA-N 1 0 326.387 2.015 50 0 EEAARO CC[N@H+](C)C[C@@H](C)CNC(=O)N1CC(Oc2cccc(OC)c2)C1 ZINC000534636352 485550701 /nfs/dbraw/zinc/55/07/01/485550701.db2.gz AZUBGHLFTOFEIB-AWEZNQCLSA-N 1 0 335.448 2.056 50 0 EEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)NCc3cccc4[nH]ccc43)nn2)CC1 ZINC000240228059 527414441 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O=C1N(Cc2cccc(F)c2F)CCC[C@]12CC[N@@H+](CCCO)C2 ZINC000426518124 241302405 /nfs/dbraw/zinc/30/24/05/241302405.db2.gz AFYQHEXHHDMZDA-GOSISDBHSA-N 1 0 338.398 2.162 50 0 EEAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(c2ncon2)CC1 ZINC000426544615 241306781 /nfs/dbraw/zinc/30/67/81/241306781.db2.gz BQYNAHBQHFAREZ-KRWDZBQOSA-N 1 0 340.427 2.440 50 0 EEAARO O=C(CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2)NC1CC1 ZINC000426563072 241309247 /nfs/dbraw/zinc/30/92/47/241309247.db2.gz HNMCTEDNNBNEMA-HXUWFJFHSA-N 1 0 345.462 2.392 50 0 EEAARO Cn1ncc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@@H]23)c1-n1cccc1 ZINC000230207266 242249057 /nfs/dbraw/zinc/24/90/57/242249057.db2.gz KNHRZLCAJJLOMM-WBVHZDCISA-N 1 0 341.459 2.205 50 0 biogenic EEAARO CN1CCCN(C(=O)CCCOc2ccccc2)CC12CC[NH2+]CC2 ZINC000244873227 243090752 /nfs/dbraw/zinc/09/07/52/243090752.db2.gz WMGHFBNTPNQGDU-UHFFFAOYSA-N 1 0 345.487 2.132 50 0 EEAARO COc1cccc(-c2cc(C(=O)N3CC[C@]4(C3)CCC[NH2+]C4)[nH]n2)c1 ZINC000067432850 202915683 /nfs/dbraw/zinc/91/56/83/202915683.db2.gz FIEUYDYANHCTFV-LJQANCHMSA-N 1 0 340.427 2.301 50 0 EEAARO C[NH+](C)C[C@H]1CSCCCN1S(=O)(=O)Cc1cccc(F)c1 ZINC000090608984 202994453 /nfs/dbraw/zinc/99/44/53/202994453.db2.gz GSRNFTBGMRYVKF-HNNXBMFYSA-N 1 0 346.493 2.025 50 0 EEAARO Cc1c(C(=O)N(C)C[C@H]2CCC[N@H+](C)C2)nnn1Cc1ccccc1 ZINC000071419593 203095257 /nfs/dbraw/zinc/09/52/57/203095257.db2.gz BDHGSSOSHDCGNQ-KRWDZBQOSA-N 1 0 341.459 2.049 50 0 EEAARO [NH3+]CCCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072137231 203167559 /nfs/dbraw/zinc/16/75/59/203167559.db2.gz LMJQJKNOLCSGNW-QXAKKESOSA-N 1 0 349.425 2.092 50 0 EEAARO CCCc1nc2c(cnn2C)c(N2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000072156918 203176630 /nfs/dbraw/zinc/17/66/30/203176630.db2.gz IETIFUFMKZRFKL-UHFFFAOYSA-N 1 0 328.464 2.238 50 0 EEAARO O=C(C[N@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1)N1CCOCC1 ZINC000072169161 203181310 /nfs/dbraw/zinc/18/13/10/203181310.db2.gz HTSPOTAJOOKENP-KRWDZBQOSA-N 1 0 334.435 2.329 50 0 EEAARO Cc1n[nH]c(C)c1CNc1nc(-c2ccco2)nc2c1CC[NH2+]CC2 ZINC000072422284 203219867 /nfs/dbraw/zinc/21/98/67/203219867.db2.gz CUXFOUKIMBFYJZ-UHFFFAOYSA-N 1 0 338.415 2.377 50 0 EEAARO CCn1ccc2ccc(C[NH+]3CCC(NS(C)(=O)=O)CC3)cc21 ZINC000077357583 203383896 /nfs/dbraw/zinc/38/38/96/203383896.db2.gz BRVDSKUTKNXFJT-UHFFFAOYSA-N 1 0 335.473 2.175 50 0 EEAARO Cc1cc(N2CCCN(C(=O)c3ccc4n[nH]nc4c3)CC2)cc[nH+]1 ZINC000077300482 203378890 /nfs/dbraw/zinc/37/88/90/203378890.db2.gz KWXOCDBKQLLBGC-UHFFFAOYSA-N 1 0 336.399 2.014 50 0 EEAARO CN(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CCN2CCOCC2)cn1 ZINC000077389385 203384707 /nfs/dbraw/zinc/38/47/07/203384707.db2.gz MVLKZGHRZLHOOX-GOSISDBHSA-N 1 0 332.492 2.224 50 0 EEAARO CCc1nn(C)c(Cl)c1CN1CC[C@@](O)(C[NH+]2CCCCC2)C1 ZINC000077521740 203394164 /nfs/dbraw/zinc/39/41/64/203394164.db2.gz RTWMXMQWKILERW-QGZVFWFLSA-N 1 0 340.899 2.059 50 0 EEAARO CC[NH+]1CCN(Cc2cc(Br)c(O)c(OC)c2)CC1 ZINC000019537239 212041712 /nfs/dbraw/zinc/04/17/12/212041712.db2.gz UMMRECVMHZMJJZ-UHFFFAOYSA-N 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258104605 /nfs/dbraw/zinc/10/46/05/258104605.db2.gz YQSIGXYZQCVFHS-CYBMUJFWSA-N 1 0 333.457 2.412 50 0 EEAARO O=C(NCCC[N@H+]1CCC[C@@H](O)C1)c1ccc(Cn2cccc2)cc1 ZINC000299757597 258075591 /nfs/dbraw/zinc/07/55/91/258075591.db2.gz KVYVGUYEWFSMPR-LJQANCHMSA-N 1 0 341.455 2.113 50 0 EEAARO c1cc(C[NH2+][C@H]2CCCN(c3ncccn3)C2)n(-c2ccccn2)c1 ZINC000015077583 135706887 /nfs/dbraw/zinc/70/68/87/135706887.db2.gz CYVGPANBDOFANN-INIZCTEOSA-N 1 0 334.427 2.421 50 0 EEAARO COCCC(=O)Nc1nc2ccccc2n1CC[NH+]1CCCCC1 ZINC000028305528 441429413 /nfs/dbraw/zinc/42/94/13/441429413.db2.gz PLDOPJJVDKGYIU-UHFFFAOYSA-N 1 0 330.432 2.497 50 0 EEAARO COc1ccc([C@H]([NH3+])CC(=O)N(C)Cc2cscn2)cc1OC ZINC000534653743 468270901 /nfs/dbraw/zinc/27/09/01/468270901.db2.gz KMRVKXLCSPTJJG-CYBMUJFWSA-N 1 0 335.429 2.209 50 0 EEAARO C[NH+](C)CCCOC(=O)c1ccccc1I ZINC000001823581 462587506 /nfs/dbraw/zinc/58/75/06/462587506.db2.gz XAYCFSGUBJCCJC-UHFFFAOYSA-N 1 0 333.169 2.400 50 0 EEAARO CCOC(=O)c1sc(C)c(C(=O)NCC(C)(C)C[NH+](C)C)c1N ZINC000002289922 462591251 /nfs/dbraw/zinc/59/12/51/462591251.db2.gz LIEBBPJXOBHPRD-UHFFFAOYSA-N 1 0 341.477 2.133 50 0 EEAARO CC[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cnn(C)c2C)N3)C1 ZINC000002738277 462600655 /nfs/dbraw/zinc/60/06/55/462600655.db2.gz IAJYAKDAGNGFOD-CQSZACIVSA-N 1 0 331.445 2.022 50 0 EEAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(OC)c(OC)cc2OC)C1 ZINC000004834226 462637735 /nfs/dbraw/zinc/63/77/35/462637735.db2.gz SSMCHWBPSSRORC-ZDUSSCGKSA-N 1 0 337.416 2.488 50 0 EEAARO CCc1cc(=O)oc2cc(C)cc(OCC(=O)NCCC[NH+](C)C)c12 ZINC000006659832 462695041 /nfs/dbraw/zinc/69/50/41/462695041.db2.gz DYUYPTQFPOJHSV-UHFFFAOYSA-N 1 0 346.427 2.111 50 0 EEAARO O[C@H](C[NH2+]CCCn1ccnc1)CO[C@H]1CCCc2ccccc21 ZINC000006909458 462711842 /nfs/dbraw/zinc/71/18/42/462711842.db2.gz FQYMDDDUGIUPBL-MJGOQNOKSA-N 1 0 329.444 2.318 50 0 EEAARO CCOc1ccc([C@@H](O)C[NH+]2CCN(c3ccccn3)CC2)cc1 ZINC000065255239 462749190 /nfs/dbraw/zinc/74/91/90/462749190.db2.gz ANFGFDXSGSFBOU-SFHVURJKSA-N 1 0 327.428 2.336 50 0 EEAARO Cc1ccc(C)c(NC(=O)CN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC000007910988 462756865 /nfs/dbraw/zinc/75/68/65/462756865.db2.gz DKSJATUMJYBPQO-UHFFFAOYSA-N 1 0 331.460 2.432 50 0 EEAARO CC(C)c1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)c(=O)n1C ZINC000065405620 462766405 /nfs/dbraw/zinc/76/64/05/462766405.db2.gz VNHACMLCZHCOTQ-UHFFFAOYSA-N 1 0 331.460 2.067 50 0 EEAARO Cn1cc(NC(=O)c2ccc(C[N@H+](C)C[C@H]3CCCO3)cc2)cn1 ZINC000065417531 462767166 /nfs/dbraw/zinc/76/71/66/462767166.db2.gz OCRMOJHPZZQYOX-QGZVFWFLSA-N 1 0 328.416 2.283 50 0 EEAARO COc1cccc(-c2ccc(C(=O)N3C[C@H]([NH+](C)C)C[C@H]3CO)o2)c1 ZINC000065509230 462784737 /nfs/dbraw/zinc/78/47/37/462784737.db2.gz PNDQDZSLYFRHFA-CABCVRRESA-N 1 0 344.411 2.092 50 0 EEAARO O=C(c1ccc(Cl)cc1)N1CCC2(CC1)[NH2+]CCc1nc[nH]c12 ZINC000008764655 462796006 /nfs/dbraw/zinc/79/60/06/462796006.db2.gz ILVKCSROBFFROE-UHFFFAOYSA-N 1 0 330.819 2.340 50 0 biogenic EEAARO CCOc1ccc(C[N@H+](C)[C@@H](C)C(=O)NC(=O)NCC(C)C)cc1 ZINC000011170982 462828083 /nfs/dbraw/zinc/82/80/83/462828083.db2.gz LBWVICDOQKJTQO-AWEZNQCLSA-N 1 0 335.448 2.387 50 0 EEAARO O=C(NCCNc1ccc(Nc2cc[nH+]cc2)nn1)c1ccccc1 ZINC000011697763 462837794 /nfs/dbraw/zinc/83/77/94/462837794.db2.gz FOPXWDDMKBAWBZ-UHFFFAOYSA-N 1 0 334.383 2.457 50 0 EEAARO CC(C)C[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011873584 462840069 /nfs/dbraw/zinc/84/00/69/462840069.db2.gz UGGZBMHLHRRBBZ-KRWDZBQOSA-N 1 0 326.387 2.064 50 0 EEAARO O=C(NCC[NH+]1CCCCC1)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000012391250 462852026 /nfs/dbraw/zinc/85/20/26/462852026.db2.gz OLIZYHDJPCRLFS-UHFFFAOYSA-N 1 0 339.399 2.434 50 0 EEAARO C[NH+]1CCN(c2ccc(NC(=O)[C@H]3Cc4ccccc4O3)cc2)CC1 ZINC000012528303 462854111 /nfs/dbraw/zinc/85/41/11/462854111.db2.gz UKEUMCQGJCZTBM-LJQANCHMSA-N 1 0 337.423 2.381 50 0 EEAARO Cc1ccccc1-n1cc(CN2CCO[C@H](CC[NH+](C)C)C2)cn1 ZINC000012575198 462858668 /nfs/dbraw/zinc/85/86/68/462858668.db2.gz 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ZINC000067803327 463053620 /nfs/dbraw/zinc/05/36/20/463053620.db2.gz IFFKIBKIFRIEFM-AWEZNQCLSA-N 1 0 345.468 2.139 50 0 EEAARO CN(CCc1cn[nH]c1)c1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067805350 463053725 /nfs/dbraw/zinc/05/37/25/463053725.db2.gz OPUMRRVTQHDEEB-UHFFFAOYSA-N 1 0 334.427 2.191 50 0 EEAARO CCOc1ccccc1NC(=O)CC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000067833716 463055608 /nfs/dbraw/zinc/05/56/08/463055608.db2.gz OLQCUDGUEDHSAW-HNNXBMFYSA-N 1 0 345.443 2.111 50 0 EEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3ccoc3)cnn2c1 ZINC000067867735 463060865 /nfs/dbraw/zinc/06/08/65/463060865.db2.gz BQBAUAOHYREORX-UHFFFAOYSA-N 1 0 327.388 2.094 50 0 EEAARO CN1CC[C@]2(CN(c3nccc4ccccc43)CC[N@@H+]2C)CCC1=O ZINC000095356171 463068340 /nfs/dbraw/zinc/06/83/40/463068340.db2.gz KSWSQWVLYNOEBZ-FQEVSTJZSA-N 1 0 338.455 2.368 50 0 EEAARO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000067920148 463068476 /nfs/dbraw/zinc/06/84/76/463068476.db2.gz ZBXIOXGVEVVMQW-KRWDZBQOSA-N 1 0 338.473 2.110 50 0 EEAARO CCc1ccccc1NC(=O)CCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000095371168 463069481 /nfs/dbraw/zinc/06/94/81/463069481.db2.gz KKHKUGULGIYRPW-OAHLLOKOSA-N 1 0 327.432 2.336 50 0 EEAARO COc1ccc([C@@H]2C[N@H+](Cc3c(C)noc3C)C[C@H]2NC(C)=O)cc1 ZINC000095508411 463098058 /nfs/dbraw/zinc/09/80/58/463098058.db2.gz UBBSONWACDTLRO-RBUKOAKNSA-N 1 0 343.427 2.404 50 0 EEAARO CCOc1cc2c(cc1C[NH+]1CCC(CC(N)=O)CC1)O[C@H](C)C2 ZINC000078575653 463130630 /nfs/dbraw/zinc/13/06/30/463130630.db2.gz APYKZGFFARTJFJ-CYBMUJFWSA-N 1 0 332.444 2.496 50 0 EEAARO C[N@@H+]1CC[C@H](CNC(=O)Cc2cc(Br)ccc2F)C1 ZINC000121907079 463215983 /nfs/dbraw/zinc/21/59/83/463215983.db2.gz QBGZSYXSZKXHJH-SNVBAGLBSA-N 1 0 329.213 2.199 50 0 EEAARO C[C@H](c1ccncn1)[N@H+](C)Cc1cn(CCC(N)=O)c2ccccc12 ZINC000055198587 463295067 /nfs/dbraw/zinc/29/50/67/463295067.db2.gz VRXVUEWEUYPVQT-CQSZACIVSA-N 1 0 337.427 2.500 50 0 EEAARO O=C(C[NH2+]C1(c2ccc3c(c2)OCCO3)CCCC1)N1CCCC1 ZINC000123104899 463316787 /nfs/dbraw/zinc/31/67/87/463316787.db2.gz DYOGCPFUOHHBSA-UHFFFAOYSA-N 1 0 330.428 2.439 50 0 EEAARO CN(CC[N@H+](C)C1CCN(C)CC1)C(=O)c1nccc2ccccc21 ZINC000102489441 463388042 /nfs/dbraw/zinc/38/80/42/463388042.db2.gz SFSZBCWJKPRWMV-UHFFFAOYSA-N 1 0 340.471 2.333 50 0 EEAARO Cc1nccn1CCC[N@@H+]1CCCN(C(=O)c2ccsc2)CC1 ZINC000124977835 463487546 /nfs/dbraw/zinc/48/75/46/463487546.db2.gz WXAZIVWNOXUFMX-UHFFFAOYSA-N 1 0 332.473 2.491 50 0 EEAARO COc1ccc(C[NH2+][C@H]2CCCN(c3cccnn3)C2)c(OC)c1 ZINC000105905277 463495786 /nfs/dbraw/zinc/49/57/86/463495786.db2.gz RLIIHEXZWOLLBA-HNNXBMFYSA-N 1 0 328.416 2.252 50 0 EEAARO O=C(NCc1cc2n(n1)CC[NH2+]C2)C(c1ccccc1)c1ccccc1 ZINC000082097651 463513958 /nfs/dbraw/zinc/51/39/58/463513958.db2.gz VSIIRENKAZRSNG-UHFFFAOYSA-N 1 0 346.434 2.435 50 0 EEAARO C[C@H]1CN(c2ccc(Cl)cc2)C(=O)CN1C(=O)C[NH+]1CCCCC1 ZINC000082139170 463517792 /nfs/dbraw/zinc/51/77/92/463517792.db2.gz KESIQUGZAHBAJG-AWEZNQCLSA-N 1 0 349.862 2.390 50 0 EEAARO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000106559814 463525273 /nfs/dbraw/zinc/52/52/73/463525273.db2.gz SCSJOZJGJRVQLM-YNEHKIRRSA-N 1 0 333.432 2.361 50 0 EEAARO C[C@H](CCc1ccccc1)[N@@H+]1CCC[C@@H]([C@@]2(C)NC(=O)NC2=O)C1 ZINC000106918687 463552197 /nfs/dbraw/zinc/55/21/97/463552197.db2.gz GCVXGLZDRYSMMK-IDHHARJASA-N 1 0 329.444 2.318 50 0 EEAARO O=C(NCC1CC[NH+]([C@@H]2CCSC2)CC1)c1ccc2c(c1)OCO2 ZINC000225568801 464172332 /nfs/dbraw/zinc/17/23/32/464172332.db2.gz OMTHSOUGWGCASQ-OAHLLOKOSA-N 1 0 348.468 2.363 50 0 EEAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)COCC(F)(F)C(F)F ZINC000252505372 464973833 /nfs/dbraw/zinc/97/38/33/464973833.db2.gz VQNCVPZZQNJPPW-ZDUSSCGKSA-N 1 0 348.340 2.076 50 0 EEAARO C[N@@H+]1CCN2CCN(C(=O)C3(c4ccccc4)CCCCC3)C[C@@H]2C1 ZINC000252509448 464975613 /nfs/dbraw/zinc/97/56/13/464975613.db2.gz YOBHEIWDPZIVDL-IBGZPJMESA-N 1 0 341.499 2.347 50 0 EEAARO Nc1nc([C@H]2CCOC2)cc(N2CCOc3ccc(Cl)cc3C2)n1 ZINC000426376403 467142048 /nfs/dbraw/zinc/14/20/48/467142048.db2.gz PHTOETFXFGUFIC-NSHDSACASA-N 1 0 346.818 2.615 50 0 EEAARO Cc1cc2nc(CCNC(=O)N3CCC[N@@H+](C)CC3)[nH]c2cc1C ZINC000534589977 468267321 /nfs/dbraw/zinc/26/73/21/468267321.db2.gz OUAVMLJQRRNKQX-UHFFFAOYSA-N 1 0 329.448 2.069 50 0 EEAARO CCN(Cc1noc(C2CC2)n1)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000426361313 535396807 /nfs/dbraw/zinc/39/68/07/535396807.db2.gz YDNQTCFPHJZYMA-AWEZNQCLSA-N 1 0 335.452 2.353 50 0 EEAARO COc1ccccc1-n1cc(C[N@@H+]2CCC[C@H](c3nnc[nH]3)C2)cn1 ZINC000216094300 536977410 /nfs/dbraw/zinc/97/74/10/536977410.db2.gz PXPLDXVQLMQBNS-HNNXBMFYSA-N 1 0 338.415 2.379 50 0 EEAARO Cc1cccn2ncc(C(=O)N3CCC([NH+]4CCSCC4)CC3)c12 ZINC001772708943 1179297957 /nfs/dbraw/zinc/29/79/57/1179297957.db2.gz GNFPARATKKCWLE-UHFFFAOYSA-N 1 0 344.484 2.296 50 0 EEAARO CN(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cn1 ZINC000091586254 1213885216 /nfs/dbraw/zinc/88/52/16/1213885216.db2.gz QXTVCZHMBFIAPG-HXUWFJFHSA-N 1 0 342.487 2.372 50 0 EEAARO C[N@@H+]1CC[C@H](N2CC3(CCC2=O)CCN(c2ncccc2F)CC3)C1 ZINC000095360967 1215351536 /nfs/dbraw/zinc/35/15/36/1215351536.db2.gz WOSQUZBGHBBYID-HNNXBMFYSA-N 1 0 346.450 2.134 50 0 EEAARO CC[C@H]1C(=O)N(C)CCN1Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067921388 1243171524 /nfs/dbraw/zinc/17/15/24/1243171524.db2.gz SGZGDXFIMYUPJQ-HNNXBMFYSA-N 1 0 333.819 2.234 50 0 EEAARO COc1ccc(S(=O)(=O)NCC[C@H]2CCCC[NH2+]2)cc1Cl ZINC001238523868 1308906219 /nfs/dbraw/zinc/90/62/19/1308906219.db2.gz MMRQGQRXBVFVQY-LLVKDONJSA-N 1 0 332.853 2.159 50 0 EEAARO CCSC[C@@H](C)[N@@H+]1CCCN(C(=O)Cn2nc(C)cc2C)CC1 ZINC001772818496 1410372620 /nfs/dbraw/zinc/37/26/20/1410372620.db2.gz GQPUZFFETLLQHO-MRXNPFEDSA-N 1 0 338.521 2.176 50 0 EEAARO C[C@H](CN(C)S(=O)(=O)N(C)Cc1ccccc1)C[NH+]1CCCC1 ZINC000952968795 796131855 /nfs/dbraw/zinc/13/18/55/796131855.db2.gz FYXDSRGDAPFGDJ-MRXNPFEDSA-N 1 0 339.505 2.027 50 0 EEAARO CC(=O)Nc1ccc2nc(CN(C)[C@H](C)C(=O)N(C)C)ccc2c1 ZINC000820592984 798589386 /nfs/dbraw/zinc/58/93/86/798589386.db2.gz XDIJXDPIXCTYSU-GFCCVEGCSA-N 1 0 328.416 2.102 50 0 EEAARO Cc1ccc([C@@H](C(=O)Nc2nnc(CC[NH+](C)C)s2)N(C)C)cc1 ZINC001529109571 1121318253 /nfs/dbraw/zinc/31/82/53/1121318253.db2.gz FYQZSGZFIHDPRB-HNNXBMFYSA-N 1 0 347.488 2.192 50 0 EEAARO C[N@@H+]1CCC[C@@H](C(=O)N2CCCN(Cc3ccc(Cl)o3)CC2)C1 ZINC001529185060 1121360078 /nfs/dbraw/zinc/36/00/78/1121360078.db2.gz INNMZZLZVNPADM-CQSZACIVSA-N 1 0 339.867 2.309 50 0 EEAARO C[NH+](C)Cc1ccc(C(=O)N[C@H]2COC[C@H]2Cc2ccncc2)cc1 ZINC001529198629 1121365994 /nfs/dbraw/zinc/36/59/94/1121365994.db2.gz HITBVPODGZOEFK-MOPGFXCFSA-N 1 0 339.439 2.131 50 0 EEAARO C[N@@H+]1CC[C@H](CNC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)C1 ZINC000067490075 215153193 /nfs/dbraw/zinc/15/31/93/215153193.db2.gz NGXYAQLWNXOHMF-CQSZACIVSA-N 1 0 339.439 2.302 50 0 EEAARO Cc1ccc(S[C@@H](C)C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000020819767 202054471 /nfs/dbraw/zinc/05/44/71/202054471.db2.gz SSCGEYZAFYVBSG-INIZCTEOSA-N 1 0 335.517 2.229 50 0 EEAARO Cc1ccc(S[C@H](C)C(=O)NCCCN2CC[NH+](C)CC2)cc1 ZINC000020819764 202054825 /nfs/dbraw/zinc/05/48/25/202054825.db2.gz SSCGEYZAFYVBSG-MRXNPFEDSA-N 1 0 335.517 2.229 50 0 EEAARO OC1(c2cn(CC3CC[NH+]([C@H]4CCSC4)CC3)nn2)CCCC1 ZINC000020854560 202056280 /nfs/dbraw/zinc/05/62/80/202056280.db2.gz RHRXARPCUMCKOU-HNNXBMFYSA-N 1 0 336.505 2.257 50 0 EEAARO CC(C)CC[N@@H+]1CCN(Cc2ccc3c(c2)OCCO3)C[C@@H]1CCO ZINC000020906869 202059010 /nfs/dbraw/zinc/05/90/10/202059010.db2.gz SFKJLSVIKVAUJD-SFHVURJKSA-N 1 0 348.487 2.373 50 0 EEAARO C[NH+](C)[C@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1ccccc1 ZINC000025169421 202127834 /nfs/dbraw/zinc/12/78/34/202127834.db2.gz BSQLBKXXVDKWSG-MRXNPFEDSA-N 1 0 339.395 2.050 50 0 EEAARO CC1CC[NH+]([C@H](CNc2ccc3nnnn3n2)c2cccs2)CC1 ZINC000028936452 202178215 /nfs/dbraw/zinc/17/82/15/202178215.db2.gz KNZNJMCQOKUVAE-CYBMUJFWSA-N 1 0 343.460 2.466 50 0 EEAARO CC(=O)NCc1ccc(C(=O)NCc2ccccc2C[NH+](C)C)cc1 ZINC000032744912 202232508 /nfs/dbraw/zinc/23/25/08/202232508.db2.gz AUOMVGALEQISEE-UHFFFAOYSA-N 1 0 339.439 2.314 50 0 EEAARO COc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1Br ZINC000037977340 202382460 /nfs/dbraw/zinc/38/24/60/202382460.db2.gz AVHHBQCIFLULDC-UHFFFAOYSA-N 1 0 327.222 2.282 50 0 EEAARO Cc1nn(-c2ccccc2)c(C)c1CCC(=O)NCCC[NH+](C)C ZINC000027977306 212591843 /nfs/dbraw/zinc/59/18/43/212591843.db2.gz GJTLAXWIMPSJNY-UHFFFAOYSA-N 1 0 328.460 2.490 50 0 EEAARO CC(=O)c1ccc(OC[C@@H](O)C[NH2+]Cc2ccc3c(c2)OCO3)cc1 ZINC000000119035 201437400 /nfs/dbraw/zinc/43/74/00/201437400.db2.gz MYFQFRXBARKKSW-INIZCTEOSA-N 1 0 343.379 2.147 50 0 EEAARO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]3C[C@H]4CC[C@@H](C3)N(C)C4=O)cc2c1 ZINC000215833613 241151135 /nfs/dbraw/zinc/15/11/35/241151135.db2.gz ODDMCTQDOTWJHU-PBHICJAKSA-N 1 0 339.439 2.198 50 0 EEAARO [NH3+]Cc1nnc(SCc2nc(C3CC3)no2)n1Cc1ccccc1 ZINC000426634190 241319311 /nfs/dbraw/zinc/31/93/11/241319311.db2.gz MDSSFBFMSFFONR-UHFFFAOYSA-N 1 0 342.428 2.338 50 0 EEAARO CCC[N@@H+]1CCC[C@H](NC(=O)N(CCO)Cc2ccc(F)cc2)C1 ZINC000426487697 241297347 /nfs/dbraw/zinc/29/73/47/241297347.db2.gz YDLWLPJROFRAKA-KRWDZBQOSA-N 1 0 337.439 2.204 50 0 EEAARO CN(Cc1cc(-c2cccnc2)no1)C(=O)NC[C@@]1(C)CC[N@H+](C)C1 ZINC000426500119 241300434 /nfs/dbraw/zinc/30/04/34/241300434.db2.gz NEDCLQAUHHUNQQ-GOSISDBHSA-N 1 0 343.431 2.220 50 0 EEAARO Cc1ccc(Cc2ccccc2C(=O)NC[C@]2(O)CC[NH2+]C2)cc1F ZINC000244882620 243095776 /nfs/dbraw/zinc/09/57/76/243095776.db2.gz XVGHRFPJRBASCY-FQEVSTJZSA-N 1 0 342.414 2.179 50 0 EEAARO Cc1ccsc1[C@H](CNC(=O)c1ccc2[nH]c(=O)[nH]c2c1)[NH+](C)C ZINC000067691964 202926483 /nfs/dbraw/zinc/92/64/83/202926483.db2.gz DYKAUJUULGVKGY-AWEZNQCLSA-N 1 0 344.440 2.259 50 0 EEAARO Cc1ccc([C@@H](CNC(=O)CCNC(=O)[C@H]2C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000069517662 203013208 /nfs/dbraw/zinc/01/32/08/203013208.db2.gz LFURGMDWBBQEFL-CWRNSKLLSA-N 1 0 347.459 2.003 50 0 EEAARO Cc1cc(C)cc(C(=O)N2CCC(C(N)=O)([NH+]3CCCCC3)CC2)c1 ZINC000071768192 203112263 /nfs/dbraw/zinc/11/22/63/203112263.db2.gz XQTDBFBLYPUXMU-UHFFFAOYSA-N 1 0 343.471 2.249 50 0 EEAARO CC(C)[C@@H]1CN(C(=O)CN(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071759998 203109458 /nfs/dbraw/zinc/10/94/58/203109458.db2.gz SUTFMUMMRYCABE-SFHVURJKSA-N 1 0 335.467 2.446 50 0 EEAARO CC(C)[C@@H]1C[N@H+](CCCC(N)=O)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071774966 203111425 /nfs/dbraw/zinc/11/14/25/203111425.db2.gz YBGAWSYLAVLBMJ-KRWDZBQOSA-N 1 0 349.450 2.150 50 0 EEAARO Cn1ncc2c1nc(C(C)(C)C)nc2N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000072146311 203172059 /nfs/dbraw/zinc/17/20/59/203172059.db2.gz LKADWHIKCUOQDG-SFHVURJKSA-N 1 0 328.464 2.241 50 0 EEAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)c(F)c1F ZINC000072152140 203173319 /nfs/dbraw/zinc/17/33/19/203173319.db2.gz SAWGKGZGKYTUPQ-CQSZACIVSA-N 1 0 338.398 2.335 50 0 EEAARO CN(C)c1ncc(CN2CCC[N@H+](Cc3ccccc3F)CC2)cn1 ZINC000072151771 203173527 /nfs/dbraw/zinc/17/35/27/203173527.db2.gz CXOPRDUPIUZRAE-UHFFFAOYSA-N 1 0 343.450 2.390 50 0 EEAARO O=C(C[C@@H]1COCC[NH2+]1)Nc1ccccc1OCCc1ccccn1 ZINC000072162262 203178269 /nfs/dbraw/zinc/17/82/69/203178269.db2.gz PRYPXSFZLPCOLA-MRXNPFEDSA-N 1 0 341.411 2.020 50 0 EEAARO CCOCc1nc2c(c(NCCCc3ccccn3)n1)CC[NH2+]CC2 ZINC000072463820 203229141 /nfs/dbraw/zinc/22/91/41/203229141.db2.gz ISGOIYSXYRHEOS-UHFFFAOYSA-N 1 0 341.459 2.141 50 0 EEAARO CC(C)([NH3+])CN1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072479870 203232551 /nfs/dbraw/zinc/23/25/51/203232551.db2.gz LMECXCJKUWFTKS-LJQANCHMSA-N 1 0 330.476 2.024 50 0 EEAARO NC(=O)CCC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072422793 203220598 /nfs/dbraw/zinc/22/05/98/203220598.db2.gz KCNSVFPPAKDTTG-HXUWFJFHSA-N 1 0 343.471 2.157 50 0 EEAARO CN(CC1([NH+]2CCCCC2)CCCCC1)C(=O)CCc1nncn1C ZINC000072429010 203222565 /nfs/dbraw/zinc/22/25/65/203222565.db2.gz UYHLQYQYMXUHFG-UHFFFAOYSA-N 1 0 347.507 2.395 50 0 EEAARO CCCNC(=O)c1ccc(NC(=O)NC[C@@H]2CCC[NH2+]2)cc1Cl ZINC000299775919 258086821 /nfs/dbraw/zinc/08/68/21/258086821.db2.gz MGILYEVDIMVDNU-LBPRGKRZSA-N 1 0 338.839 2.353 50 0 EEAARO CN1CC[NH+](CCC(=O)NC[C@@]2(c3ccccc3)CC2(C)C)CC1 ZINC000299757827 258075353 /nfs/dbraw/zinc/07/53/53/258075353.db2.gz CDZLFFGBIRYNSM-HXUWFJFHSA-N 1 0 329.488 2.108 50 0 EEAARO O=C(c1ccccc1-n1cnnc1)N1CC[NH+](C2CCCCC2)CC1 ZINC000299758149 258075901 /nfs/dbraw/zinc/07/59/01/258075901.db2.gz DLDOXBFECSBSMP-UHFFFAOYSA-N 1 0 339.443 2.358 50 0 EEAARO Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@H]32)c1 ZINC000122334740 222063746 /nfs/dbraw/zinc/06/37/46/222063746.db2.gz MDMIVNCEMTXOOX-DOTOQJQBSA-N 1 0 329.444 2.185 50 0 EEAARO CC(C)(C)c1oc(C(N)=O)cc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071762032 273504039 /nfs/dbraw/zinc/50/40/39/273504039.db2.gz YHCBXFYXHIXJSY-UHFFFAOYSA-N 1 0 347.459 2.263 50 0 EEAARO CCN1CCC([NH+]2CCC3(CC2)Nc2ccccc2NC3=O)CC1 ZINC000082106220 276149486 /nfs/dbraw/zinc/14/94/86/276149486.db2.gz WKJYOEFWUFUTGW-UHFFFAOYSA-N 1 0 328.460 2.370 50 0 EEAARO CNC(=O)c1cc(NC(=O)NCCC23CCC[NH+]2CCC3)ccc1F ZINC000097076639 277255784 /nfs/dbraw/zinc/25/57/84/277255784.db2.gz UBTNRSOHVZSMDY-UHFFFAOYSA-N 1 0 348.422 2.325 50 0 EEAARO CC(C)n1cccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091965132 278133670 /nfs/dbraw/zinc/13/36/70/278133670.db2.gz BKUNRBOSFNLOIR-IAGOWNOFSA-N 1 0 333.476 2.235 50 0 EEAARO C[NH+](C)C1(CNC(=O)N2CCC[C@H]2Cn2cccn2)CCCCC1 ZINC000426370722 289047852 /nfs/dbraw/zinc/04/78/52/289047852.db2.gz XFDHVQMRJPCEMC-INIZCTEOSA-N 1 0 333.480 2.322 50 0 EEAARO O=C(Cc1cccc(F)c1)N1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000437691122 315047794 /nfs/dbraw/zinc/04/77/94/315047794.db2.gz HSSIBVAXYBDURD-INIZCTEOSA-N 1 0 334.435 2.329 50 0 EEAARO Cc1cc2nc(SCC(=O)NCC[NH+]3CCCC3)[nH]c2cc1C ZINC000000203535 462548156 /nfs/dbraw/zinc/54/81/56/462548156.db2.gz UVVZDGFCTYADBR-UHFFFAOYSA-N 1 0 332.473 2.484 50 0 EEAARO CCn1c(C)[n+](CC)c2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000000243460 462551686 /nfs/dbraw/zinc/55/16/86/462551686.db2.gz UDPFOPZSEJMHMK-UHFFFAOYSA-N 1 0 336.481 2.452 50 0 EEAARO COc1ccccc1NC(=[NH2+])Nc1nc(C(F)(F)F)cc(=O)[nH]1 ZINC000000449172 462563429 /nfs/dbraw/zinc/56/34/29/462563429.db2.gz XPBUUPJVSVUKQE-UHFFFAOYSA-N 1 0 327.266 2.256 50 0 EEAARO Cc1cc(NC(=O)CC[NH+]2CCN(c3ccccc3C)CC2)no1 ZINC000004574957 462635408 /nfs/dbraw/zinc/63/54/08/462635408.db2.gz FDAZTZOVGIOQAK-UHFFFAOYSA-N 1 0 328.416 2.442 50 0 EEAARO CC[NH+](CC)[C@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000004697140 462637178 /nfs/dbraw/zinc/63/71/78/462637178.db2.gz UIEKOKIAENKGCG-LBPRGKRZSA-N 1 0 325.206 2.423 50 0 EEAARO COCc1cc(C)nc(NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C(N)=O ZINC000004751816 462637183 /nfs/dbraw/zinc/63/71/83/462637183.db2.gz AVIPBDUIHZPFPH-UHFFFAOYSA-N 1 0 334.464 2.356 50 0 EEAARO O=C(CNC(=O)c1ccccc1)OC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000004731352 462637257 /nfs/dbraw/zinc/63/72/57/462637257.db2.gz HOXLEEYZWFUSMS-IAGOWNOFSA-N 1 0 330.428 2.224 50 0 biogenic EEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCN(c2ccccc2O)CC1 ZINC000046375006 462674384 /nfs/dbraw/zinc/67/43/84/462674384.db2.gz LMSHGJLDFCZHCX-INIZCTEOSA-N 1 0 346.475 2.098 50 0 EEAARO CS(=O)(=O)N1CCC(C[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129581080 462714607 /nfs/dbraw/zinc/71/46/07/462714607.db2.gz KRIKXPUNJOJSQI-QWHCGFSZSA-N 1 0 342.427 2.369 50 0 EEAARO COc1cccc([C@@H]2CC[N@H+](Cc3cccnc3OC)C[C@H]2O)c1 ZINC000065388094 462762359 /nfs/dbraw/zinc/76/23/59/462762359.db2.gz FQENPHVTAVNFTH-ZWKOTPCHSA-N 1 0 328.412 2.449 50 0 EEAARO O[C@@H](CNc1ncnc2sc3c(c21)CC[NH2+]C3)c1ccccc1 ZINC000065404296 462764892 /nfs/dbraw/zinc/76/48/92/462764892.db2.gz UHHFDVRKXGIIQO-ZDUSSCGKSA-N 1 0 326.425 2.483 50 0 EEAARO Cc1[nH+]c(N2CCCC2)nc(NCCSc2nncn2C)c1C ZINC000065431557 462770088 /nfs/dbraw/zinc/77/00/88/462770088.db2.gz UEVBFUJKVXQCAG-UHFFFAOYSA-N 1 0 333.465 2.026 50 0 EEAARO CC(C)c1nnc2n1C[C@@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000065462386 462774233 /nfs/dbraw/zinc/77/42/33/462774233.db2.gz SGOWJUGHCBSWJS-HNNXBMFYSA-N 1 0 337.431 2.291 50 0 EEAARO Cc1noc(C)c1CCCn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000065502056 462783356 /nfs/dbraw/zinc/78/33/56/462783356.db2.gz SIDJOZOACHKUHV-UHFFFAOYSA-N 1 0 344.440 2.341 50 0 EEAARO CCC1=NO[C@H](CNC(=O)C2(Oc3ccc(C)cc3)CC[NH2+]CC2)C1 ZINC000065528023 462790114 /nfs/dbraw/zinc/79/01/14/462790114.db2.gz BBEVFMOUONHSMS-KRWDZBQOSA-N 1 0 345.443 2.167 50 0 EEAARO O=C(Cc1cn2ccsc2n1)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000012507009 462854536 /nfs/dbraw/zinc/85/45/36/462854536.db2.gz PYKWZKVFGXDOGI-CQSZACIVSA-N 1 0 344.440 2.485 50 0 EEAARO CC(C)Nc1ncc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cn1 ZINC000091254222 462866064 /nfs/dbraw/zinc/86/60/64/462866064.db2.gz NNUGTRRBEWEYSO-BEFAXECRSA-N 1 0 348.491 2.296 50 0 EEAARO CC[NH+]1CCN(Cc2ccc(-c3nc(C)c(C)c(=O)[nH]3)cc2)CC1 ZINC000048155988 462866638 /nfs/dbraw/zinc/86/66/38/462866638.db2.gz HNEDDBKQFIOHTD-UHFFFAOYSA-N 1 0 326.444 2.191 50 0 EEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1ccccc1Cn1cccn1 ZINC000091519320 462886115 /nfs/dbraw/zinc/88/61/15/462886115.db2.gz BMBHKICHOGHYPF-GOSISDBHSA-N 1 0 326.444 2.422 50 0 EEAARO CC1CC[NH+](CCCNS(=O)(=O)Cc2ccccc2F)CC1 ZINC000013668685 462898429 /nfs/dbraw/zinc/89/84/29/462898429.db2.gz CYZZBRIERHIRNU-UHFFFAOYSA-N 1 0 328.453 2.367 50 0 EEAARO COc1cccc2c1OC[C@@H](C(=O)NCCNc1cc(C)cc[nH+]1)C2 ZINC000091677320 462898547 /nfs/dbraw/zinc/89/85/47/462898547.db2.gz RLMJLOICNJTUPL-HNNXBMFYSA-N 1 0 341.411 2.178 50 0 EEAARO Cc1cc(C[NH+]2CCC3(CCC(=O)N(C[C@@H]4CCCO4)C3)CC2)on1 ZINC000091770121 462905930 /nfs/dbraw/zinc/90/59/30/462905930.db2.gz WTEZVWDGOOVGHV-INIZCTEOSA-N 1 0 347.459 2.367 50 0 EEAARO Cc1cc(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)nc(N(C)C)[nH+]1 ZINC000091779516 462907035 /nfs/dbraw/zinc/90/70/35/462907035.db2.gz KIOIZAVCYCFFJX-UHFFFAOYSA-N 1 0 343.475 2.222 50 0 EEAARO CCOc1ccc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cn1 ZINC000091859530 462910349 /nfs/dbraw/zinc/91/03/49/462910349.db2.gz NFYUEWVTFWKTKA-BEFAXECRSA-N 1 0 334.460 2.480 50 0 EEAARO CC(C)[N@@H+]1CCC[C@H](CN(C)C(=O)c2ccc(-n3cnnc3)cc2)C1 ZINC000091914544 462913485 /nfs/dbraw/zinc/91/34/85/462913485.db2.gz HOZRXTXRNPPRQB-MRXNPFEDSA-N 1 0 341.459 2.460 50 0 EEAARO CNC(=O)c1ccc(NC(=O)N2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000119788379 462928303 /nfs/dbraw/zinc/92/83/03/462928303.db2.gz UGJKXVGZOJHLFG-OAHLLOKOSA-N 1 0 344.459 2.386 50 0 EEAARO CCN(CC[NH+](CC)CC)C(=O)CCc1nnc(-c2cc(C)on2)o1 ZINC000014962020 462935992 /nfs/dbraw/zinc/93/59/92/462935992.db2.gz BRYJNZNTQWASCK-UHFFFAOYSA-N 1 0 349.435 2.156 50 0 EEAARO COCCSc1nnc(C2CC[NH+](Cc3cccnc3)CC2)n1C ZINC000014998077 462938078 /nfs/dbraw/zinc/93/80/78/462938078.db2.gz OMUBONBEXCAJQW-UHFFFAOYSA-N 1 0 347.488 2.328 50 0 EEAARO Cc1nc(C)c(C(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)s1 ZINC000015062982 462939552 /nfs/dbraw/zinc/93/95/52/462939552.db2.gz GNGSYQLOTWSEIA-AWEZNQCLSA-N 1 0 336.505 2.048 50 0 EEAARO OCC[NH+]1CCN(c2nnc(-c3ccccc3)c3ccccc32)CC1 ZINC000020001062 463024386 /nfs/dbraw/zinc/02/43/86/463024386.db2.gz IPGGBRDLOCZFCK-UHFFFAOYSA-N 1 0 334.423 2.411 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)CCc2[nH]nc3c2CCCC3)C1 ZINC000067649440 463030904 /nfs/dbraw/zinc/03/09/04/463030904.db2.gz ADGZNIMIQUGOJH-CQSZACIVSA-N 1 0 330.476 2.306 50 0 EEAARO C[C@@H]1CNC(=O)CC[N@@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000067692389 463038191 /nfs/dbraw/zinc/03/81/91/463038191.db2.gz SIKWYNKQLDOOBW-OAHLLOKOSA-N 1 0 325.412 2.371 50 0 EEAARO Cc1cccn2c(CC(=O)NC[C@@H]3CC[N@@H+](CC(C)C)C3)cnc12 ZINC000067692866 463038399 /nfs/dbraw/zinc/03/83/99/463038399.db2.gz GQGTWCJWRKQPKO-INIZCTEOSA-N 1 0 328.460 2.279 50 0 EEAARO Cc1nc(N2CCN(C(=O)C(C)C)CC2)cc(N2CCCCC2)[nH+]1 ZINC000021793702 463041455 /nfs/dbraw/zinc/04/14/55/463041455.db2.gz FNKGLDMLLUATJM-UHFFFAOYSA-N 1 0 331.464 2.080 50 0 EEAARO O=C(NC[C@H]1CC[N@H+](Cc2ccco2)C1)c1cn2ccsc2n1 ZINC000067774068 463049384 /nfs/dbraw/zinc/04/93/84/463049384.db2.gz DUFMJBDFESDUNT-GFCCVEGCSA-N 1 0 330.413 2.241 50 0 EEAARO CN(CCC[NH+](C)C)C(=O)c1cc(COc2cccc(F)c2)[nH]n1 ZINC000067770884 463050060 /nfs/dbraw/zinc/05/00/60/463050060.db2.gz YJPYFXKPPUHHCZ-UHFFFAOYSA-N 1 0 334.395 2.152 50 0 EEAARO Cc1ncc(C[N@@H+]2CCC[C@H](CCNC(=O)c3cncs3)C2)[nH]1 ZINC000067804482 463053065 /nfs/dbraw/zinc/05/30/65/463053065.db2.gz 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EEAARO CCn1ccc(C(=O)N[C@H]2CCC[N@H+](Cc3cccs3)C2)cc1=O ZINC000823587978 798745805 /nfs/dbraw/zinc/74/58/05/798745805.db2.gz RNTNSCXYKPBPMM-HNNXBMFYSA-N 1 0 345.468 2.324 50 0 EEAARO O=S1(=O)CC[C@@H]([NH2+]C2CCN(c3ccccc3Cl)CC2)C1 ZINC000825596829 800343854 /nfs/dbraw/zinc/34/38/54/800343854.db2.gz VQHOHDFNVZJULO-CYBMUJFWSA-N 1 0 328.865 2.086 50 0 EEAARO Cc1ccccc1-c1noc(CNC(=O)N2CCCC[C@H]2C[NH3+])n1 ZINC000827268072 800463200 /nfs/dbraw/zinc/46/32/00/800463200.db2.gz ZMCPOUYYVSWHLR-ZDUSSCGKSA-N 1 0 329.404 2.068 50 0 EEAARO COCC[N@@H+]1CC[C@H](C(=O)Nc2c(-c3ccccc3)c(C)nn2C)C1 ZINC001506430745 1114605075 /nfs/dbraw/zinc/60/50/75/1114605075.db2.gz BXDVOBFABYGVFY-INIZCTEOSA-N 1 0 342.443 2.302 50 0 EEAARO C[C@H]1C[C@H](C)C[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000016475096 539328808 /nfs/dbraw/zinc/32/88/08/539328808.db2.gz USHXGOQJNMCLQV-STQMWFEESA-N 1 0 347.415 2.084 50 0 EEAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]C3CCCC3)C2=O)c1 ZINC000012712944 201861022 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C[C@H]1Cc2cc(NC(=O)CCc3cc4n(n3)CCC[NH2+]C4)ccc2O1 ZINC000072431985 216224968 /nfs/dbraw/zinc/22/49/68/216224968.db2.gz SOUFKKRCUKSFPH-ZDUSSCGKSA-N 1 0 340.427 2.271 50 0 EEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000058403414 201141084 /nfs/dbraw/zinc/14/10/84/201141084.db2.gz WBLNUIFMQHSMJP-FUHWJXTLSA-N 1 0 326.444 2.211 50 0 EEAARO C[NH+](C)CCN(Cc1cnc(N2CCCCC2)nc1)C[C@@H]1CCCO1 ZINC000215169704 241111537 /nfs/dbraw/zinc/11/15/37/241111537.db2.gz MKKGKLOGLJTFFZ-SFHVURJKSA-N 1 0 347.507 2.010 50 0 EEAARO Cn1c(C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cc2ccc(Cl)cc21 ZINC000215258017 241114643 /nfs/dbraw/zinc/11/46/43/241114643.db2.gz XWXKGDZPDUKLCC-OAHLLOKOSA-N 1 0 349.862 2.408 50 0 EEAARO c1coc(-c2ncc(CN3CCCO[C@@H](C[NH+]4CCCC4)C3)cn2)c1 ZINC000215918209 241153177 /nfs/dbraw/zinc/15/31/77/241153177.db2.gz QKWGLBPYOFYTJL-KRWDZBQOSA-N 1 0 342.443 2.423 50 0 EEAARO Cn1c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)C2)cc2cc(F)ccc21 ZINC000215387797 241122094 /nfs/dbraw/zinc/12/20/94/241122094.db2.gz NFNFVRCUIYELDA-KRWDZBQOSA-N 1 0 330.451 2.139 50 0 EEAARO COC(=O)[C@H](Sc1nnc(C2CC[NH2+]CC2)n1C)c1ccccc1 ZINC000426395437 241277401 /nfs/dbraw/zinc/27/74/01/241277401.db2.gz UWAONUHHDILDPL-CQSZACIVSA-N 1 0 346.456 2.289 50 0 EEAARO CC(C)c1nnc([C@@H](C)NC(=O)CSCC[NH+]2CCCC2)o1 ZINC000426503146 241300702 /nfs/dbraw/zinc/30/07/02/241300702.db2.gz WMMMOSDXZYHESZ-GFCCVEGCSA-N 1 0 326.466 2.199 50 0 EEAARO CCNC(=O)CN1CC[C@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000426517983 241301888 /nfs/dbraw/zinc/30/18/88/241301888.db2.gz UFVDUKQQTNOILY-HXUWFJFHSA-N 1 0 329.488 2.419 50 0 EEAARO COc1ccc(OC)c([C@H]2CCN(C(=O)NCCC[NH+](C)C)C2)c1 ZINC000426597475 241313311 /nfs/dbraw/zinc/31/33/11/241313311.db2.gz ZAHGUUUWXKPEPT-AWEZNQCLSA-N 1 0 335.448 2.154 50 0 EEAARO Cc1c[nH+]ccc1NCCNC(=O)[C@H](Oc1ccccc1)C(C)C ZINC000426627724 241317329 /nfs/dbraw/zinc/31/73/29/241317329.db2.gz NATXRKHQOJFYMC-GOSISDBHSA-N 1 0 327.428 2.444 50 0 EEAARO C[NH+]1CCC(CNC(=O)c2[nH]nc(N)c2Cl)(c2ccccc2)CC1 ZINC000219312562 241376480 /nfs/dbraw/zinc/37/64/80/241376480.db2.gz FTWDCWRVMPVCNT-UHFFFAOYSA-N 1 0 347.850 2.039 50 0 EEAARO Cc1ccccc1[C@]1(O)CC[N@H+](CCC(=O)Nc2cccnc2)C1 ZINC000244718705 243066109 /nfs/dbraw/zinc/06/61/09/243066109.db2.gz LPMKFRMABQTIEW-IBGZPJMESA-N 1 0 325.412 2.312 50 0 EEAARO C[N@H+](CCCn1cccn1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000244574761 243042401 /nfs/dbraw/zinc/04/24/01/243042401.db2.gz CQYBNRMCXDIENY-FQEVSTJZSA-N 1 0 342.487 2.496 50 0 EEAARO Cc1ccc(C)c([C@H](C)NC(=O)C[N@H+](C)CC2(CO)CCOCC2)c1 ZINC000244874672 243094719 /nfs/dbraw/zinc/09/47/19/243094719.db2.gz XFKIIYAIRTUBBK-KRWDZBQOSA-N 1 0 348.487 2.202 50 0 EEAARO Cc1cc(=O)[nH]c(CCNc2cc([C@H]3C[C@@H]([NH3+])C3)nc(C3CC3)n2)n1 ZINC000253535444 244010954 /nfs/dbraw/zinc/01/09/54/244010954.db2.gz YXTGLAVGAARXSB-BETUJISGSA-N 1 0 340.431 2.017 50 0 EEAARO CC(C)[C@H]1CN(C(=O)CN(C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071759999 203109722 /nfs/dbraw/zinc/10/97/22/203109722.db2.gz SUTFMUMMRYCABE-GOSISDBHSA-N 1 0 335.467 2.446 50 0 EEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)Cc2c(F)cccc2Cl)CC1 ZINC000072134346 203166398 /nfs/dbraw/zinc/16/63/98/203166398.db2.gz XYHCPVTUGZHULD-QGZVFWFLSA-N 1 0 342.842 2.327 50 0 EEAARO Cn1ncc2c1nc(-c1ccncc1)nc2N1CC([NH+]2CCCCC2)C1 ZINC000072145171 203170490 /nfs/dbraw/zinc/17/04/90/203170490.db2.gz ZZMHZZBGRZZPFE-UHFFFAOYSA-N 1 0 349.442 2.100 50 0 EEAARO CC[N@@H+]1CCC[C@H](c2nccn2-c2ccc(Oc3nn[nH]n3)cc2)C1 ZINC000072164902 203177643 /nfs/dbraw/zinc/17/76/43/203177643.db2.gz FWZQNNVNBWYZTA-ZDUSSCGKSA-N 1 0 339.403 2.377 50 0 EEAARO Cn1ccnc1SCCNC(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072165419 203179405 /nfs/dbraw/zinc/17/94/05/203179405.db2.gz QFVGTQDXERXMRE-ZDUSSCGKSA-N 1 0 330.457 2.019 50 0 EEAARO CN(Cc1ccco1)c1nc(-c2ccncc2)nc2c1CC[NH2+]CC2 ZINC000072417840 203218904 /nfs/dbraw/zinc/21/89/04/203218904.db2.gz UGFGXLQNPYXECL-UHFFFAOYSA-N 1 0 335.411 2.456 50 0 EEAARO CCNc1cc(N2CCN(C(=O)c3cccc(C)c3)CC2)nc(C)[nH+]1 ZINC000077134075 203372011 /nfs/dbraw/zinc/37/20/11/203372011.db2.gz MSAZOWNWTGVHOF-UHFFFAOYSA-N 1 0 339.443 2.488 50 0 EEAARO Cc1cc(N2CCCO[C@H](C[NH+]3CCCCC3)C2)n2nccc2n1 ZINC000077385164 203385369 /nfs/dbraw/zinc/38/53/69/203385369.db2.gz SQTLAAGIUIVNBN-MRXNPFEDSA-N 1 0 329.448 2.119 50 0 EEAARO Cc1nc(CC(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)cs1 ZINC000092002325 203662111 /nfs/dbraw/zinc/66/21/11/203662111.db2.gz ZFWXISSMMRLZTJ-WMLDXEAASA-N 1 0 349.500 2.096 50 0 EEAARO C[C@H](C[NH2+]Cc1cn(C)nc1-c1ccncc1)N1C[C@@H](C)O[C@H](C)C1 ZINC000106574242 204204223 /nfs/dbraw/zinc/20/42/23/204204223.db2.gz HHPKBAUNBXVOOJ-BZUAXINKSA-N 1 0 343.475 2.069 50 0 EEAARO OC[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1Nc1ncc(Cl)cn1 ZINC000108119122 204254726 /nfs/dbraw/zinc/25/47/26/204254726.db2.gz RQZUVRSNBARBTD-ZBFHGGJFSA-N 1 0 332.835 2.425 50 0 EEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccncc2)n[nH]1 ZINC000096116403 218610579 /nfs/dbraw/zinc/61/05/79/218610579.db2.gz DNPQNUMJUOOOPC-MAUKXSAKSA-N 1 0 339.443 2.466 50 0 biogenic EEAARO Cn1cccc1C[NH2+]CCNC(=O)c1cccc(Br)c1 ZINC000119223693 221270636 /nfs/dbraw/zinc/27/06/36/221270636.db2.gz OCVDDQQMWLGDFX-UHFFFAOYSA-N 1 0 336.233 2.307 50 0 EEAARO CN1CC[NH+](CC[C@@H]2CCCCN2C(=O)CCc2ccncc2)CC1 ZINC000299778741 258088151 /nfs/dbraw/zinc/08/81/51/258088151.db2.gz KMKYHSABWYZDHV-IBGZPJMESA-N 1 0 344.503 2.033 50 0 EEAARO CSCC[C@H](O)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000299779091 258088497 /nfs/dbraw/zinc/08/84/97/258088497.db2.gz RXSVULKCLYEKRT-INIZCTEOSA-N 1 0 340.464 2.020 50 0 EEAARO C[C@H](Cn1cncn1)NC(=O)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000299791801 258097586 /nfs/dbraw/zinc/09/75/86/258097586.db2.gz GUJSKRQIJIEJHD-MRXNPFEDSA-N 1 0 341.459 2.085 50 0 EEAARO Cc1nc2cc(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc2[nH]1 ZINC000299797431 258102002 /nfs/dbraw/zinc/10/20/02/258102002.db2.gz OXPFQNWLGHJLAZ-INIZCTEOSA-N 1 0 342.443 2.245 50 0 EEAARO C[NH+]1CCC(CNC(=O)c2cccc(=O)[nH]2)(c2ccccc2)CC1 ZINC000299799975 258103743 /nfs/dbraw/zinc/10/37/43/258103743.db2.gz XEBJFNVQGICUOK-UHFFFAOYSA-N 1 0 325.412 2.181 50 0 EEAARO Cc1ccc(C[NH+]2CCC(CNC(=O)CCc3ccnn3C)CC2)o1 ZINC000215990774 258072330 /nfs/dbraw/zinc/07/23/30/258072330.db2.gz YFZVEFWREVFVPA-UHFFFAOYSA-N 1 0 344.459 2.283 50 0 EEAARO O=C(NCc1cnc2c(c1)CCC2)C1CC[NH+](C2CCOCC2)CC1 ZINC000299761740 258078350 /nfs/dbraw/zinc/07/83/50/258078350.db2.gz ZLNWUOSBXFBIDW-UHFFFAOYSA-N 1 0 343.471 2.078 50 0 EEAARO C[C@@H](NC(=O)Nc1ccc2c(c1)OCC(=O)N2)C(C)(C)C[NH+](C)C ZINC000121182449 221780095 /nfs/dbraw/zinc/78/00/95/221780095.db2.gz QVVJXJQQAGBKED-LLVKDONJSA-N 1 0 334.420 2.115 50 0 EEAARO CCN1CC2(CCC1=O)CCN(C(=O)C[C@@H]([NH3+])c1ccccc1)CC2 ZINC000092028075 276148416 /nfs/dbraw/zinc/14/84/16/276148416.db2.gz WWMUKVWNVUKYIK-QGZVFWFLSA-N 1 0 343.471 2.328 50 0 EEAARO CNC(=O)c1ccc(NC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]3C2)cc1 ZINC000007590789 277259378 /nfs/dbraw/zinc/25/93/78/277259378.db2.gz YOLHPCMFBJNQJQ-GOEBONIOSA-N 1 0 329.444 2.497 50 0 EEAARO CC(C)[C@H](CO)NC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000012597821 277899614 /nfs/dbraw/zinc/89/96/14/277899614.db2.gz KNVSZJYENLCRNL-SFHVURJKSA-N 1 0 330.472 2.143 50 0 EEAARO C[C@@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(C(N)=O)c1 ZINC000000403011 462559278 /nfs/dbraw/zinc/55/92/78/462559278.db2.gz SGUAFYQXFOLMHL-SCLBCKFNSA-N 1 0 328.412 2.135 50 0 fda EEAARO C[NH+](C)CCNC(=O)Cn1nc(C(F)(F)F)c(Cl)c1C1CC1 ZINC000002770987 462601937 /nfs/dbraw/zinc/60/19/37/462601937.db2.gz VTNMVZFYCWHXLE-UHFFFAOYSA-N 1 0 338.761 2.111 50 0 EEAARO CCOC(=O)C1CC[NH+](C[C@H](O)COc2cccc(C)c2C)CC1 ZINC000004305052 462631056 /nfs/dbraw/zinc/63/10/56/462631056.db2.gz WETJTFYVZAPPKP-KRWDZBQOSA-N 1 0 335.444 2.318 50 0 EEAARO CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000006891336 462709873 /nfs/dbraw/zinc/70/98/73/462709873.db2.gz HHMDTOHWBSOBNK-UHFFFAOYSA-N 1 0 341.496 2.482 50 0 EEAARO Cc1ccccc1[S@@](=O)Cc1ccc(C(=O)NCC[NH+](C)C)o1 ZINC000006895376 462711881 /nfs/dbraw/zinc/71/18/81/462711881.db2.gz VBPVUIJGLOGTFD-HSZRJFAPSA-N 1 0 334.441 2.187 50 0 EEAARO COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1)OCO2 ZINC000065421806 462768286 /nfs/dbraw/zinc/76/82/86/462768286.db2.gz SDWNGKCYJKDASB-MRXNPFEDSA-N 1 0 348.443 2.111 50 0 EEAARO CSCC[C@@H](CO)Nc1nc(CC[NH3+])nc2sc(C)c(C)c21 ZINC000065421813 462768357 /nfs/dbraw/zinc/76/83/57/462768357.db2.gz OQRZIDOKBAITAT-NSHDSACASA-N 1 0 340.518 2.335 50 0 EEAARO Cc1ccsc1[C@@H](CNC(=O)c1c(C)nc2ncccn21)[NH+](C)C ZINC000065429683 462769953 /nfs/dbraw/zinc/76/99/53/462769953.db2.gz NZLCVFZTNVFKEL-CYBMUJFWSA-N 1 0 343.456 2.440 50 0 EEAARO CC(C)c1nnc2n1C[C@H]([NH2+]Cc1c[nH]nc1-c1cccnc1)CC2 ZINC000065462383 462774605 /nfs/dbraw/zinc/77/46/05/462774605.db2.gz SGOWJUGHCBSWJS-OAHLLOKOSA-N 1 0 337.431 2.291 50 0 EEAARO CC[NH+](CC)CC(=O)N1CCC[C@@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000011775289 462839304 /nfs/dbraw/zinc/83/93/04/462839304.db2.gz NREPDFWSTXMVCI-HNNXBMFYSA-N 1 0 349.450 2.136 50 0 EEAARO C[NH+]1CCN(c2ncccc2CNC(=O)CCc2ccsc2)CC1 ZINC000012076675 462841990 /nfs/dbraw/zinc/84/19/90/462841990.db2.gz SCVVEJJMPOTAJN-UHFFFAOYSA-N 1 0 344.484 2.144 50 0 EEAARO Cc1ocnc1C(=O)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012192166 462846700 /nfs/dbraw/zinc/84/67/00/462846700.db2.gz LWJLBZHIDBWCHZ-MRXNPFEDSA-N 1 0 325.412 2.345 50 0 EEAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@H+](Cc3cccc(O)c3)C2)CC1 ZINC000012208964 462847049 /nfs/dbraw/zinc/84/70/49/462847049.db2.gz GTXNUSHFGWVNOM-KRWDZBQOSA-N 1 0 345.487 2.158 50 0 EEAARO C[C@@H](NC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1)c1nc[nH]n1 ZINC000012612133 462859625 /nfs/dbraw/zinc/85/96/25/462859625.db2.gz XIVOZKNNUSMZOL-CQSZACIVSA-N 1 0 339.443 2.005 50 0 EEAARO CCOC(=O)CN(C)C(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000012707005 462863007 /nfs/dbraw/zinc/86/30/07/462863007.db2.gz NYQPWUVCFLHWQX-UHFFFAOYSA-N 1 0 344.455 2.031 50 0 EEAARO COc1ncccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091441621 462879386 /nfs/dbraw/zinc/87/93/86/462879386.db2.gz 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ZINC000019327110 463015550 /nfs/dbraw/zinc/01/55/50/463015550.db2.gz MSIBCJHILDGGTL-MRXNPFEDSA-N 1 0 340.774 2.041 50 0 EEAARO Cc1nc(N2CCCC2)cc(NCCNC(=O)c2cccc(F)c2)[nH+]1 ZINC000067612900 463026116 /nfs/dbraw/zinc/02/61/16/463026116.db2.gz NSIJXDNFPHCBIQ-UHFFFAOYSA-N 1 0 343.406 2.366 50 0 EEAARO COc1ccc(OC)c(-c2nc(CN3CC[NH2+]C[C@@H]3C)c(C)o2)c1 ZINC000067674418 463035276 /nfs/dbraw/zinc/03/52/76/463035276.db2.gz FZQKZDHKZIYVME-LBPRGKRZSA-N 1 0 331.416 2.461 50 0 EEAARO CCC[N@@H+]1CCCN(Cc2cc3ccc(OC)cc3[nH]c2=O)CC1 ZINC000067740392 463044647 /nfs/dbraw/zinc/04/46/47/463044647.db2.gz MDZOTCWZQBVPJO-UHFFFAOYSA-N 1 0 329.444 2.454 50 0 EEAARO CC[C@H]1CN(C(=O)c2ccc(-c3cnn(C)c3)nc2)CC[N@@H+]1C(C)C ZINC000067785126 463050606 /nfs/dbraw/zinc/05/06/06/463050606.db2.gz DBIROHYARXHDNZ-KRWDZBQOSA-N 1 0 341.459 2.427 50 0 EEAARO Oc1ccccc1N1CC[NH+](C[C@@H](O)COCc2cccs2)CC1 ZINC000023387018 463065915 /nfs/dbraw/zinc/06/59/15/463065915.db2.gz CLCZLBHQNZZESD-OAHLLOKOSA-N 1 0 348.468 2.153 50 0 EEAARO 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218294954 /nfs/dbraw/zinc/29/49/54/218294954.db2.gz RDYPNOPHANZHKB-AWEZNQCLSA-N 1 0 346.456 2.330 50 0 EEAARO Cc1nc2c(cnn2C)c(NC2CC[NH+](C3CCSCC3)CC2)n1 ZINC000095378251 218311069 /nfs/dbraw/zinc/31/10/69/218311069.db2.gz JAADZOVHQKTWBZ-UHFFFAOYSA-N 1 0 346.504 2.444 50 0 EEAARO CC(C)(C)c1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)[nH]n1 ZINC000095391844 218323599 /nfs/dbraw/zinc/32/35/99/218323599.db2.gz VOVPJWVTFKJYEA-CQSZACIVSA-N 1 0 348.491 2.214 50 0 EEAARO CCCCCC[C@]1(C(=O)OCC)C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000005929298 210560222 /nfs/dbraw/zinc/56/02/22/210560222.db2.gz GYOMEBUCSCBPAJ-XHDPSFHLSA-N 1 0 330.450 2.448 50 0 EEAARO O=C(NCC[NH+]1CCCCCC1)c1cccc(N2CCCC2=O)c1 ZINC000004991577 210352396 /nfs/dbraw/zinc/35/23/96/210352396.db2.gz NMSVKNHQZNFWBE-UHFFFAOYSA-N 1 0 329.444 2.419 50 0 EEAARO CC(C)(C)c1cc(C(=O)NC[C@@H]2CC[N@@H+](C3CCCC3)C2)[nH]c(=O)n1 ZINC000299792564 258097791 /nfs/dbraw/zinc/09/77/91/258097791.db2.gz GFQHWMJZERBPCK-ZDUSSCGKSA-N 1 0 346.475 2.474 50 0 EEAARO CN1CC[NH+](CC2CCN(C(=O)c3ccc(Cl)o3)CC2)CC1 ZINC000098052428 292223649 /nfs/dbraw/zinc/22/36/49/292223649.db2.gz XVIJWSOIWJZEMM-UHFFFAOYSA-N 1 0 325.840 2.033 50 0 EEAARO CC(C)[C@H](CNC(=O)c1cc2c(s1)CCC2)N1CC[NH+](C)CC1 ZINC000040522813 276018141 /nfs/dbraw/zinc/01/81/41/276018141.db2.gz NXLJFYNMDSOVBU-HNNXBMFYSA-N 1 0 335.517 2.239 50 0 EEAARO CNC(=O)c1cc2c(s1)CCN(C(=O)CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000091935036 277015551 /nfs/dbraw/zinc/01/55/51/277015551.db2.gz KJDLLPURLIPCBA-CQSZACIVSA-N 1 0 349.500 2.257 50 0 EEAARO COCC[NH+]1CCC(NC(=O)COc2ccc(C(C)C)cc2)CC1 ZINC000085467971 462549339 /nfs/dbraw/zinc/54/93/39/462549339.db2.gz ZHTSDKASUQXADK-UHFFFAOYSA-N 1 0 334.460 2.416 50 0 EEAARO COc1cccc(C[N@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c1OC ZINC000000234588 462550288 /nfs/dbraw/zinc/55/02/88/462550288.db2.gz MCMDFBGSCTVRAS-GOEBONIOSA-N 1 0 340.423 2.485 50 0 biogenic EEAARO Cc1nc(CCc2ccc(OC[C@H](O)C[NH2+]C(C)(C)C)cc2)no1 ZINC000003107238 462610264 /nfs/dbraw/zinc/61/02/64/462610264.db2.gz RDSYDBGTFVJRNA-OAHLLOKOSA-N 1 0 333.432 2.291 50 0 EEAARO Cc1ccc(NC(=O)NCCNc2cc(N(C)C)nc(C)[nH+]2)cc1 ZINC000065364417 462758376 /nfs/dbraw/zinc/75/83/76/462758376.db2.gz KNMSDMHNWVXWJK-UHFFFAOYSA-N 1 0 328.420 2.393 50 0 EEAARO Cc1cc(NC(=O)C[NH2+]CCN2CCCOC2=O)ccc1Cl ZINC000065395303 462762392 /nfs/dbraw/zinc/76/23/92/462762392.db2.gz DRYVZDKMBULZCS-UHFFFAOYSA-N 1 0 325.796 2.019 50 0 EEAARO O=c1oc2ccccc2n1CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000065473411 462776450 /nfs/dbraw/zinc/77/64/50/462776450.db2.gz IAYKRGQYSHHJLG-HNNXBMFYSA-N 1 0 338.411 2.424 50 0 EEAARO Cc1ccc(-c2n[nH]cc2[C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)o1 ZINC000011035549 462827042 /nfs/dbraw/zinc/82/70/42/462827042.db2.gz YGUHWIBOYFYDNQ-HNNXBMFYSA-N 1 0 333.355 2.424 50 0 EEAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cnc(C)nc1)CC2 ZINC000091255757 462866146 /nfs/dbraw/zinc/86/61/46/462866146.db2.gz DOFQVBFRMLYIQJ-UHFFFAOYSA-N 1 0 346.475 2.026 50 0 EEAARO Cc1nc2ccsc2c(NCC[C@H]2CCC(=O)N2CC[NH+](C)C)n1 ZINC000091289412 462870306 /nfs/dbraw/zinc/87/03/06/462870306.db2.gz GFMCGRAKTLPJQA-CYBMUJFWSA-N 1 0 347.488 2.354 50 0 EEAARO O=c1cc(-c2cccnc2)nc(-c2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)[nH]1 ZINC000048428226 462909397 /nfs/dbraw/zinc/90/93/97/462909397.db2.gz MKBKGGVUXXDBAX-QGZVFWFLSA-N 1 0 348.406 2.066 50 0 EEAARO CCn1nc(C)c(C[NH2+]Cc2cccnc2N2CCC[C@H](O)C2)c1C ZINC000014972701 462937096 /nfs/dbraw/zinc/93/70/96/462937096.db2.gz HNUGNKNJOGHILZ-KRWDZBQOSA-N 1 0 343.475 2.166 50 0 EEAARO COc1ccc(C[NH2+]CCCN2C(=O)NC3(CCCC3)C2=O)cc1 ZINC000015184117 462943627 /nfs/dbraw/zinc/94/36/27/462943627.db2.gz RHFFOGTWHQCVBA-UHFFFAOYSA-N 1 0 331.416 2.040 50 0 EEAARO CCN(CC)S(=O)(=O)NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000119967390 462946554 /nfs/dbraw/zinc/94/65/54/462946554.db2.gz XFYNQJHFOKJEHF-AWEZNQCLSA-N 1 0 345.534 2.136 50 0 EEAARO Cc1nc2ccccc2nc1CN1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077439543 462985013 /nfs/dbraw/zinc/98/50/13/462985013.db2.gz ULULZDGVWJNXBY-FQEVSTJZSA-N 1 0 340.471 2.361 50 0 EEAARO O[C@@]1(CNCc2ccc(-c3ccccc3Cl)o2)C[NH2+]CCOC1 ZINC000077452770 462988198 /nfs/dbraw/zinc/98/81/98/462988198.db2.gz LLQAVAXYXPTQTL-QGZVFWFLSA-N 1 0 336.819 2.041 50 0 EEAARO CCn1ccnc1CN1CC[N@H+](Cc2ccccc2C)[C@@H](CCO)C1 ZINC000019228435 463015315 /nfs/dbraw/zinc/01/53/15/463015315.db2.gz LNXPBUMGMNBGGZ-IBGZPJMESA-N 1 0 342.487 2.280 50 0 EEAARO COC(=O)c1csc(N2[NH2+]C3=C(CCC3)[C@@]2(O)C(F)(F)F)n1 ZINC000025185922 463112781 /nfs/dbraw/zinc/11/27/81/463112781.db2.gz MHWABVCPIKEMQO-KSBSHMNSSA-N 1 0 335.307 2.157 50 0 EEAARO CCC(=O)Nc1cc(NC(=O)N2CC[C@@H]([NH+](C)C)C2)ccc1OC ZINC000096133201 463183973 /nfs/dbraw/zinc/18/39/73/463183973.db2.gz VALABTBVQFNZPO-CYBMUJFWSA-N 1 0 334.420 2.212 50 0 EEAARO Cc1ccc(NC[C@H]2CC[N@H+](Cc3cc(=O)n4ccccc4n3)C2)nc1 ZINC000097200780 463346151 /nfs/dbraw/zinc/34/61/51/463346151.db2.gz UXSAQGAISQPNLR-MRXNPFEDSA-N 1 0 349.438 2.332 50 0 EEAARO Cc1cc(C)cc(OCC[N@@H+](C)Cc2cc(=O)n3nccc3[nH]2)c1 ZINC000101025760 463375931 /nfs/dbraw/zinc/37/59/31/463375931.db2.gz XEYLKUNATWIQOZ-UHFFFAOYSA-N 1 0 326.400 2.150 50 0 EEAARO Cc1noc2nc(C3CC3)cc(C(=O)N3CC[C@H]([NH+]4CC=CC4)C3)c12 ZINC000101277887 463377298 /nfs/dbraw/zinc/37/72/98/463377298.db2.gz YJKVYJPPKXGIRX-AWEZNQCLSA-N 1 0 338.411 2.495 50 0 EEAARO O=C(c1cnnn1-c1ccccc1Cl)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000101277864 463377510 /nfs/dbraw/zinc/37/75/10/463377510.db2.gz RSSMQMHMMIGYHL-ZDUSSCGKSA-N 1 0 343.818 2.007 50 0 EEAARO Cc1cc(N2CCCCC2)nc(N2CCN(C(=O)C(C)(C)C)CC2)[nH+]1 ZINC000032498023 463380445 /nfs/dbraw/zinc/38/04/45/463380445.db2.gz SMAXMNHUFUDNGY-UHFFFAOYSA-N 1 0 345.491 2.470 50 0 EEAARO Fc1cc(C[NH2+]C[C@H]2COc3ccccc3O2)ccc1-n1cncn1 ZINC000032900922 463401057 /nfs/dbraw/zinc/40/10/57/463401057.db2.gz FXCHBRPOSIPEED-AWEZNQCLSA-N 1 0 340.358 2.336 50 0 EEAARO CCc1[nH]c2ccc(CNC(=O)CN3CC[C@@H]([NH+](C)C)C3)cc2c1C ZINC000071775818 463424443 /nfs/dbraw/zinc/42/44/43/463424443.db2.gz MQLCAZRDFACZTJ-MRXNPFEDSA-N 1 0 342.487 2.291 50 0 EEAARO C[N@H+](CC[S@@](=O)c1ccccc1)[C@H]1CCCN(c2cccnn2)C1 ZINC000106774414 463535225 /nfs/dbraw/zinc/53/52/25/463535225.db2.gz GUVLFUZIHOSQJN-FYSMJZIKSA-N 1 0 344.484 2.185 50 0 EEAARO C[NH+]1CCC(CNC(=O)C(=O)c2cccnc2)(c2ccccc2)CC1 ZINC000223428237 464142640 /nfs/dbraw/zinc/14/26/40/464142640.db2.gz YFSXIHWRHFMSGZ-UHFFFAOYSA-N 1 0 337.423 2.044 50 0 EEAARO C[C@@H](C(=O)Nc1nncs1)N1CCC[N@@H+](C2CCCCC2)CC1 ZINC000244734403 464461797 /nfs/dbraw/zinc/46/17/97/464461797.db2.gz NEYMVACEKYKUMB-ZDUSSCGKSA-N 1 0 337.493 2.206 50 0 EEAARO C[C@@H](Cc1cccs1)NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000244763899 464461990 /nfs/dbraw/zinc/46/19/90/464461990.db2.gz OXKNLBVYWHYAQP-RWMBFGLXSA-N 1 0 333.461 2.143 50 0 EEAARO C/C=C(\C)C[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccn(C)n3)O2)CC1 ZINC000299769813 465884134 /nfs/dbraw/zinc/88/41/34/465884134.db2.gz QQBFUCDCGXCCEV-MRJCOXNESA-N 1 0 346.475 2.130 50 0 EEAARO CC[C@H](C[NH+](C)C)NC(=O)N(C)CCc1nc2c(cccc2C)[nH]1 ZINC000584901431 468960143 /nfs/dbraw/zinc/96/01/43/468960143.db2.gz ATKYGJWVLJKOMX-CQSZACIVSA-N 1 0 331.464 2.395 50 0 EEAARO C[C@H](C[NH+]1CCCC1)NC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000534640077 485550993 /nfs/dbraw/zinc/55/09/93/485550993.db2.gz CBYUREZKYQTUQF-MRXNPFEDSA-N 1 0 331.460 2.164 50 0 EEAARO CN(Cc1ccccc1)C(=O)C1CC[NH+](CCc2ncc[nH]2)CC1 ZINC000670458280 485651640 /nfs/dbraw/zinc/65/16/40/485651640.db2.gz RYJRBSUITDPXEG-UHFFFAOYSA-N 1 0 326.444 2.323 50 0 EEAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000426444502 536371012 /nfs/dbraw/zinc/37/10/12/536371012.db2.gz IUCDNULNXPGTHL-MRXNPFEDSA-N 1 0 334.439 2.142 50 0 EEAARO COCCN1CCC[C@@]2(CC[N@H+](Cc3cccc(OC)c3)C2)C1=O ZINC000015064714 681624274 /nfs/dbraw/zinc/62/42/74/681624274.db2.gz QNXMGQJBDLWWIY-IBGZPJMESA-N 1 0 332.444 2.156 50 0 EEAARO CCc1cnc(N)nc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC001772704680 1179288814 /nfs/dbraw/zinc/28/88/14/1179288814.db2.gz DNIBTEDTMGRGMI-KRWDZBQOSA-N 1 0 341.459 2.324 50 0 EEAARO c1nc2ncnc(N3C[C@H]4C[NH2+]C[C@@]4(CCc4ccccc4)C3)c2[nH]1 ZINC001772704304 1179290494 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CC1=C(C(=O)N2CCC[C@H]([N@H+](C)Cc3ccccc3)C2)OCCO1 ZINC000012195999 800126526 /nfs/dbraw/zinc/12/65/26/800126526.db2.gz MJUQCNOFKCQTKW-KRWDZBQOSA-N 1 0 330.428 2.388 50 0 EEAARO Nc1ncc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000827590670 800489250 /nfs/dbraw/zinc/48/92/50/800489250.db2.gz SPJSNBRTXBLHSR-AWEZNQCLSA-N 1 0 330.457 2.335 50 0 EEAARO O=C(Cc1ccc(Cl)c(Cl)c1)NCC[N@H+]1CCCC[C@H]1CO ZINC000828710974 800806541 /nfs/dbraw/zinc/80/65/41/800806541.db2.gz SYJSUHXUCLOXCJ-ZDUSSCGKSA-N 1 0 345.270 2.499 50 0 EEAARO CS(=O)(=O)C[C@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC001506396593 1114595258 /nfs/dbraw/zinc/59/52/58/1114595258.db2.gz VPQARIWKRSOGEG-HNNXBMFYSA-N 1 0 340.489 2.001 50 0 EEAARO CCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001506403864 1114596948 /nfs/dbraw/zinc/59/69/48/1114596948.db2.gz UQSOLKZBASKWJB-LBPRGKRZSA-N 1 0 346.880 2.372 50 0 EEAARO CCc1ccc(N2C[C@H](C(=O)NC[C@@H]3CCC[N@H+]3CC)CC2=O)cc1 ZINC000034916316 539331708 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O=C1N(CCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1cccs1 ZINC000067654846 215176145 /nfs/dbraw/zinc/17/61/45/215176145.db2.gz HHCBAEYCNJRYNO-LJQANCHMSA-N 1 0 344.480 2.434 50 0 EEAARO CCNC(=O)Cc1ccc(-c2cc(F)cc3c2O[C@H](C[NH3+])C3)cc1 ZINC000067689291 215185349 /nfs/dbraw/zinc/18/53/49/215185349.db2.gz XJUSQTKADKXTSX-INIZCTEOSA-N 1 0 328.387 2.434 50 0 EEAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000067754309 215203039 /nfs/dbraw/zinc/20/30/39/215203039.db2.gz INUVFTLIHNFMKU-SFHVURJKSA-N 1 0 329.488 2.152 50 0 EEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cc(=O)c3ccccc3[nH]2)C1 ZINC000067755081 215203165 /nfs/dbraw/zinc/20/31/65/215203165.db2.gz KQQVBXFDKNZNDW-CQSZACIVSA-N 1 0 327.428 2.236 50 0 EEAARO CC(C)[N@@H+]1CC[C@H](CNC(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000067772778 215209696 /nfs/dbraw/zinc/20/96/96/215209696.db2.gz KORGOTLTWOZBPI-QGZVFWFLSA-N 1 0 326.444 2.392 50 0 EEAARO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)c3cnc4ccccc4c3)C2)cn1 ZINC000067868086 215235244 /nfs/dbraw/zinc/23/52/44/215235244.db2.gz DRLAWGMHWBVAIU-OAHLLOKOSA-N 1 0 349.438 2.220 50 0 EEAARO COc1ccc(O)c(C(=O)NC[C@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000067880731 215239385 /nfs/dbraw/zinc/23/93/85/215239385.db2.gz BKAJWTPKJHENNX-CQSZACIVSA-N 1 0 348.443 2.022 50 0 EEAARO C[C@H](Cc1cnccn1)Nc1nc(-c2cccnc2)nc2c1CC[NH2+]C2 ZINC000067885404 215241413 /nfs/dbraw/zinc/24/14/13/215241413.db2.gz UIHDNWHZJFQSIZ-CYBMUJFWSA-N 1 0 347.426 2.017 50 0 EEAARO O=C1N[C@@](Cc2ccccc2F)(C2CC[NH2+]CC2)C(=O)N1CC1CC1 ZINC000067948060 215257973 /nfs/dbraw/zinc/25/79/73/215257973.db2.gz VAKNEVFKTNRGMT-IBGZPJMESA-N 1 0 345.418 2.068 50 0 EEAARO C[NH+](C)CCCNC(=O)CCn1nc(C(F)(F)F)cc1C1CC1 ZINC000002487565 209856497 /nfs/dbraw/zinc/85/64/97/209856497.db2.gz KXQKERZFICEURA-UHFFFAOYSA-N 1 0 332.370 2.237 50 0 EEAARO O=C(c1cc(-c2ccc(O)cc2)n[nH]1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000072125567 216016411 /nfs/dbraw/zinc/01/64/11/216016411.db2.gz OLTNCMLHQYYTBY-OAHLLOKOSA-N 1 0 340.427 2.483 50 0 EEAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)C(=O)NCc1ccccc1C ZINC000107504758 219783169 /nfs/dbraw/zinc/78/31/69/219783169.db2.gz KIRLBFDTSODZRR-SUMDDJOVSA-N 1 0 345.487 2.236 50 0 EEAARO Cc1nc2c(c(NCc3ccc4nsnc4c3)n1)CC[NH2+]CC2 ZINC000072425000 216214572 /nfs/dbraw/zinc/21/45/72/216214572.db2.gz UGBVZWXJYDSQPL-UHFFFAOYSA-N 1 0 326.429 2.090 50 0 EEAARO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCC[C@H]1c1cccnc1 ZINC000072463817 216246327 /nfs/dbraw/zinc/24/63/27/216246327.db2.gz ZPCTUGKDXZVYQI-SFHVURJKSA-N 1 0 339.443 2.068 50 0 EEAARO COCC[NH+]1CCC(CNC(=O)CCc2ccc(OC)cc2)CC1 ZINC000023127921 212351691 /nfs/dbraw/zinc/35/16/91/212351691.db2.gz DLOBAKRXXZQIAT-UHFFFAOYSA-N 1 0 334.460 2.102 50 0 EEAARO O[C@@H](COCc1ccccc1)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022587197 212308344 /nfs/dbraw/zinc/30/83/44/212308344.db2.gz IFELFPSTWKRDLF-OAQYLSRUSA-N 1 0 340.467 2.382 50 0 EEAARO C[C@@H]1C[N@H+](Cc2ccccc2OCCCN2CCOCC2)CCCO1 ZINC000216063527 241163561 /nfs/dbraw/zinc/16/35/61/241163561.db2.gz YAAUJYGOFWLUGJ-GOSISDBHSA-N 1 0 348.487 2.399 50 0 EEAARO C[NH+]1CCN(Cn2nc3c(Cl)cc(Cl)cn3c2=S)CC1 ZINC000022038763 212272693 /nfs/dbraw/zinc/27/26/93/212272693.db2.gz ZOWOQRBVRKZJAG-UHFFFAOYSA-N 1 0 332.260 2.377 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)NCc2ccc3c(c2)OCO3)C1 ZINC000426674412 241326046 /nfs/dbraw/zinc/32/60/46/241326046.db2.gz XPTWSWKOXCWKCS-CYBMUJFWSA-N 1 0 331.416 2.184 50 0 EEAARO CC(C)(C(=O)NCc1csc(-c2cnccn2)n1)[NH+]1CCCC1 ZINC000426410702 241278527 /nfs/dbraw/zinc/27/85/27/241278527.db2.gz NGDQXWSQCVIYGT-UHFFFAOYSA-N 1 0 331.445 2.091 50 0 EEAARO CCN(C[C@H]1CC[N@H+](C)C1)C(=O)NCc1[nH]nc2c1CCCCC2 ZINC000426419733 241280718 /nfs/dbraw/zinc/28/07/18/241280718.db2.gz JCLPFPCZTZXNOG-AWEZNQCLSA-N 1 0 333.480 2.162 50 0 EEAARO CC[N@@H+]1CCC[C@H](CNC(=O)N2CC(OCc3ccccc3F)C2)C1 ZINC000426521191 241305167 /nfs/dbraw/zinc/30/51/67/241305167.db2.gz HNYLMTBWGKSJLT-OAHLLOKOSA-N 1 0 349.450 2.468 50 0 EEAARO CCCN(Cc1ccccn1)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426544707 241306987 /nfs/dbraw/zinc/30/69/87/241306987.db2.gz JEJXPTWLVLOKME-MRXNPFEDSA-N 1 0 341.459 2.184 50 0 EEAARO C[NH+](C)CC(C)(C)CNC(=O)c1ccc(-c2cnc(N)cn2)cc1 ZINC000426597227 241314453 /nfs/dbraw/zinc/31/44/53/241314453.db2.gz MYTMBDHSBFHBGP-UHFFFAOYSA-N 1 0 327.432 2.043 50 0 EEAARO CN(C)c1ccc(-c2noc(C(=O)NCC[NH+]3CCCCC3)n2)cc1 ZINC000020719373 212164082 /nfs/dbraw/zinc/16/40/82/212164082.db2.gz PIEIIYVJXHCKDL-UHFFFAOYSA-N 1 0 343.431 2.018 50 0 EEAARO CCOc1cc(CNCC[NH2+]C[C@@H](C)O)cc(Cl)c1OCC ZINC000020175632 212109912 /nfs/dbraw/zinc/10/99/12/212109912.db2.gz JLYGXLAULXYHEN-GFCCVEGCSA-N 1 0 330.856 2.197 50 0 EEAARO CC(=O)Nc1ccc(CN2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc1 ZINC000077287389 216863848 /nfs/dbraw/zinc/86/38/48/216863848.db2.gz UNOXQUOSASCSDU-LJQANCHMSA-N 1 0 331.460 2.068 50 0 EEAARO Cn1c(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)cc2ccccc21 ZINC000077389324 216892365 /nfs/dbraw/zinc/89/23/65/216892365.db2.gz JKPSCCNJRFLOAP-FQEVSTJZSA-N 1 0 341.455 2.241 50 0 EEAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(CC3CCC3)C2=O)cc1F ZINC000012386726 211364900 /nfs/dbraw/zinc/36/49/00/211364900.db2.gz PFWOHJXZLDJGHN-LJQANCHMSA-N 1 0 334.435 2.377 50 0 EEAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COC[C@@H]2COc3ccccc3O2)C1 ZINC000012170328 211310443 /nfs/dbraw/zinc/31/04/43/211310443.db2.gz SUZCNOSJLWNTST-YYIAUSFCSA-N 1 0 335.444 2.182 50 0 EEAARO Cc1cc(N2CCN(C(=O)[C@H]3COc4ccccc4C3)CC2)cc[nH+]1 ZINC000091746802 218058405 /nfs/dbraw/zinc/05/84/05/218058405.db2.gz BXINNMVEDHBTKQ-QGZVFWFLSA-N 1 0 337.423 2.290 50 0 EEAARO Cc1nnc(SCCCNC(=O)[C@@H]2CCCCC[N@H+]2C)s1 ZINC000091893924 218084242 /nfs/dbraw/zinc/08/42/42/218084242.db2.gz ISOJFLFVNDQJGH-LBPRGKRZSA-N 1 0 328.507 2.319 50 0 EEAARO Cc1nc(C)c(C(=O)N2CCC(c3nccn3CC[NH+](C)C)CC2)o1 ZINC000092108021 218122191 /nfs/dbraw/zinc/12/21/91/218122191.db2.gz PWCRLQWPKUSCCW-UHFFFAOYSA-N 1 0 345.447 2.069 50 0 EEAARO O=C(c1ccon1)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095353465 218287501 /nfs/dbraw/zinc/28/75/01/218287501.db2.gz SYDDSNORZSTJDT-WMLDXEAASA-N 1 0 337.423 2.378 50 0 EEAARO CN(C)C(=O)c1cccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000095352170 218285571 /nfs/dbraw/zinc/28/55/71/218285571.db2.gz MASSIRGRJLRDTM-KRWDZBQOSA-N 1 0 331.460 2.269 50 0 EEAARO O=C(C1CCCC1)N1CC[C@]2(O)CC[N@@H+](Cc3cncs3)C[C@@H]2C1 ZINC000095363969 218296506 /nfs/dbraw/zinc/29/65/06/218296506.db2.gz UGVZYMFYBRFMNG-CRAIPNDOSA-N 1 0 349.500 2.119 50 0 EEAARO Cc1ccnn1CCC(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095372649 218305000 /nfs/dbraw/zinc/30/50/00/218305000.db2.gz BYNIEVGJRLYSFO-QZTJIDSGSA-N 1 0 330.476 2.305 50 0 EEAARO O=C1CCCN1CCCN1C(=O)CC[C@@H]1CC[NH2+]Cc1ccccc1 ZINC000012159085 284788605 /nfs/dbraw/zinc/78/86/05/284788605.db2.gz VWURSSLRBPEIOL-GOSISDBHSA-N 1 0 343.471 2.170 50 0 EEAARO Cc1cc(C)c2c(ncnc2NC[C@@H](O)C[NH+]2CCCCCC2)n1 ZINC000095378655 218311746 /nfs/dbraw/zinc/31/17/46/218311746.db2.gz DGTJKRLRQCNLFA-OAHLLOKOSA-N 1 0 329.448 2.290 50 0 EEAARO CC(C)(NC(=O)[C@@H]1CCC[N@@H+](C2CCCC2)C1)c1nnc(N)s1 ZINC000095391452 218322925 /nfs/dbraw/zinc/32/29/25/218322925.db2.gz CIBWIWCJUTWONV-LLVKDONJSA-N 1 0 337.493 2.126 50 0 EEAARO CC(C)[NH+]1CCC(CC(=O)N2CCC(O)(c3cccnc3)CC2)CC1 ZINC000095385511 218316349 /nfs/dbraw/zinc/31/63/49/218316349.db2.gz FTGCWLHTHQERKX-UHFFFAOYSA-N 1 0 345.487 2.402 50 0 EEAARO CCc1c(C)[nH+]c(N)nc1NC[C@H]1CC(=O)N(C)c2ccccc21 ZINC000095392699 218323970 /nfs/dbraw/zinc/32/39/70/218323970.db2.gz RLLUJLDBKUUMCX-GFCCVEGCSA-N 1 0 325.416 2.492 50 0 EEAARO CNc1ncc(C(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cn1 ZINC000096164665 533087644 /nfs/dbraw/zinc/08/76/44/533087644.db2.gz KEUCYOXPIOGNJQ-MRXNPFEDSA-N 1 0 339.443 2.128 50 0 EEAARO CC1(C)C[C@@H](C[NH+]2CCN(c3ccc4nccn4n3)CC2)CCO1 ZINC000097447051 219025634 /nfs/dbraw/zinc/02/56/34/219025634.db2.gz ILYQVJPZTOLVMY-HNNXBMFYSA-N 1 0 329.448 2.057 50 0 EEAARO O=C(NC[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1)c1c[nH]c(=O)cn1 ZINC000299773499 258085620 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COc1ccc(OCCCN2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000175466773 464556085 /nfs/dbraw/zinc/55/60/85/464556085.db2.gz MOYJIJFGKCBDOK-UHFFFAOYSA-N 1 0 334.460 2.261 50 0 EEAARO O=C(CN1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1F ZINC000252486811 464963177 /nfs/dbraw/zinc/96/31/77/464963177.db2.gz HOXQFKMARIVSRG-INIZCTEOSA-N 1 0 325.815 2.493 50 0 EEAARO O=c1[nH]ccn1CC[NH+]1CCC(c2nc3cc(F)ccc3[nH]2)CC1 ZINC000252486897 464963877 /nfs/dbraw/zinc/96/38/77/464963877.db2.gz HQEDYKMGCFPCSQ-UHFFFAOYSA-N 1 0 329.379 2.071 50 0 EEAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cccn3cnnc23)C1 ZINC000426634099 467144713 /nfs/dbraw/zinc/14/47/13/467144713.db2.gz DRILEGCNDJDAMF-INIZCTEOSA-N 1 0 349.438 2.257 50 0 EEAARO COc1nn(C)cc1C(=O)NC[C@H](c1cc2ccccc2o1)[NH+](C)C ZINC000575621865 468152146 /nfs/dbraw/zinc/15/21/46/468152146.db2.gz WGYPERBRTKDAAH-CQSZACIVSA-N 1 0 342.399 2.208 50 0 EEAARO O=C(NCCCc1ccco1)N1CCC([NH+]2CCSCC2)CC1 ZINC000534592721 468266882 /nfs/dbraw/zinc/26/68/82/468266882.db2.gz 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O=C1N(CCc2ccccc2)CCC[C@]1(O)C[NH2+]CCc1ccco1 ZINC000067727261 215198140 /nfs/dbraw/zinc/19/81/40/215198140.db2.gz MDHRAWYYFQOYAY-FQEVSTJZSA-N 1 0 342.439 2.008 50 0 EEAARO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(NC(=O)C3CCCC3)c2)C1 ZINC000067785161 215211916 /nfs/dbraw/zinc/21/19/16/215211916.db2.gz DQDAKWAXUJYBHA-AWEZNQCLSA-N 1 0 329.444 2.497 50 0 EEAARO CN(Cc1cc(C(=O)N(C)[C@H]2CC[N@H+](C)C2)no1)Cc1ccccc1 ZINC000067784378 215210854 /nfs/dbraw/zinc/21/08/54/215210854.db2.gz GSGNRYPBNHEZFQ-INIZCTEOSA-N 1 0 342.443 2.083 50 0 EEAARO CC(C)C[N@@H+]1CCC[C@H](CNC(=O)Cc2cnc3ccccn23)C1 ZINC000067803243 215215661 /nfs/dbraw/zinc/21/56/61/215215661.db2.gz HKZTVIYTYDTDGX-MRXNPFEDSA-N 1 0 328.460 2.361 50 0 EEAARO COc1cc(C(=O)NCC[C@@H]2CCC[N@@H+](C3CCOCC3)C2)ccn1 ZINC000067817510 215220675 /nfs/dbraw/zinc/22/06/75/215220675.db2.gz JXMGBQIEBHQPEC-HNNXBMFYSA-N 1 0 347.459 2.101 50 0 EEAARO CCc1csc(CNC(=O)c2ccc(NC3CC[NH2+]CC3)nc2)n1 ZINC000067821768 215222902 /nfs/dbraw/zinc/22/29/02/215222902.db2.gz 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2.418 50 0 EEAARO Cc1c(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cnn1-c1ccccn1 ZINC000106514936 463518864 /nfs/dbraw/zinc/51/88/64/463518864.db2.gz ZSWBHVLPGKKNLD-CABCVRRESA-N 1 0 341.459 2.426 50 0 EEAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+][C@H](C)C(=O)N2CCC(C)CC2)cn1 ZINC000107322503 463565296 /nfs/dbraw/zinc/56/52/96/463565296.db2.gz MBCAXOPBYRZCJK-SOLBZPMBSA-N 1 0 348.491 2.217 50 0 EEAARO CO[C@H](C[NH2+]Cc1c(C)nn(C)c1N1CCOCC1)c1ccccc1 ZINC000058423696 463597397 /nfs/dbraw/zinc/59/73/97/463597397.db2.gz JWDOQAZYPDEWOI-GOSISDBHSA-N 1 0 344.459 2.042 50 0 EEAARO Cn1cc([C@](C)(O)C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)cn1 ZINC000108363809 463601982 /nfs/dbraw/zinc/60/19/82/463601982.db2.gz AMBCOUFUCWYWJU-AZUAARDMSA-N 1 0 342.487 2.270 50 0 EEAARO O=C(NCc1cnn2cccnc12)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000219845548 464110743 /nfs/dbraw/zinc/11/07/43/464110743.db2.gz BMQIXYKVSZRQRT-KRWDZBQOSA-N 1 0 335.411 2.010 50 0 EEAARO COc1ccccc1CCC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000222782910 464133890 /nfs/dbraw/zinc/13/38/90/464133890.db2.gz UONKGGRXOGWHHZ-SFHVURJKSA-N 1 0 346.471 2.387 50 0 EEAARO C[N@@H+]1C[C@H](NC(=O)c2cc(C(F)(F)F)ccc2Cl)C[C@H]1CO ZINC000223718813 464146237 /nfs/dbraw/zinc/14/62/37/464146237.db2.gz PCHZTYJFKUKELW-ZJUUUORDSA-N 1 0 336.741 2.154 50 0 EEAARO Cn1ncc(C(=O)NC[C@H]2CCC[N@@H+]3CCCC[C@H]23)c1-n1cccc1 ZINC000225416123 464158889 /nfs/dbraw/zinc/15/88/89/464158889.db2.gz KNHRZLCAJJLOMM-NVXWUHKLSA-N 1 0 341.459 2.205 50 0 biogenic EEAARO CN(CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000264536540 464363940 /nfs/dbraw/zinc/36/39/40/464363940.db2.gz ZWPPAMCAOVZXST-GOSISDBHSA-N 1 0 330.476 2.393 50 0 EEAARO O[C@H]1CCCOC12CC[NH+](Cc1cncn1Cc1ccccc1)CC2 ZINC000244734612 464461287 /nfs/dbraw/zinc/46/12/87/464461287.db2.gz NIXFRBAEMCOBKM-IBGZPJMESA-N 1 0 341.455 2.437 50 0 EEAARO C[C@@H](C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1)N1CCOCC1 ZINC000244898858 464465367 /nfs/dbraw/zinc/46/53/67/464465367.db2.gz ZCYAZXUFGZJIHW-HNNXBMFYSA-N 1 0 338.879 2.344 50 0 EEAARO C[C@H]1CCCC[N@@H+]1C1CN(CCC(=O)NCc2ccccc2F)C1 ZINC000252483927 464962586 /nfs/dbraw/zinc/96/25/86/464962586.db2.gz FLBYVGQRFZMLIJ-HNNXBMFYSA-N 1 0 333.451 2.391 50 0 EEAARO COC1CC[NH+](C2CN(C(=O)NCCCc3ccccc3)C2)CC1 ZINC000575609901 468147714 /nfs/dbraw/zinc/14/77/14/468147714.db2.gz AQVJOYRIVHYCHZ-UHFFFAOYSA-N 1 0 331.460 2.124 50 0 EEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)NCC2(CO)CCC2)cc1 ZINC000534581118 468266131 /nfs/dbraw/zinc/26/61/31/468266131.db2.gz POHDAEMHUJHEHQ-UHFFFAOYSA-N 1 0 333.476 2.231 50 0 EEAARO COc1ccccc1OCC(=O)N1CCN(c2cc[nH+]cc2C)CC1 ZINC000219268798 537089859 /nfs/dbraw/zinc/08/98/59/537089859.db2.gz GWHXOPHHPOZEJK-UHFFFAOYSA-N 1 0 341.411 2.126 50 0 EEAARO Cc1nc(C2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)cc(=O)[nH]1 ZINC000023581428 681753160 /nfs/dbraw/zinc/75/31/60/681753160.db2.gz LYZLWTBVCQKEMI-UHFFFAOYSA-N 1 0 339.399 2.441 50 0 EEAARO Cc1ccc(N2CCC[N@H+](C[C@](C)(O)c3ccccc3)CC2)nn1 ZINC000105801812 1204895600 /nfs/dbraw/zinc/89/56/00/1204895600.db2.gz LAOGEYORLYYMMP-IBGZPJMESA-N 1 0 326.444 2.205 50 0 EEAARO COC(=O)c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3CO)c(C)o2)cc1 ZINC000012710075 1221897286 /nfs/dbraw/zinc/89/72/86/1221897286.db2.gz FRCXNODUGDFCNO-HNNXBMFYSA-N 1 0 330.384 2.393 50 0 EEAARO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@]3(C1)CCCN(C)C3=O)CO2 ZINC000014969322 1226369731 /nfs/dbraw/zinc/36/97/31/1226369731.db2.gz SBAYFLKSAUTKNR-FQEVSTJZSA-N 1 0 342.439 2.415 50 0 EEAARO Cc1ncc(C[NH2+][C@@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)n1C ZINC000015067212 1226503079 /nfs/dbraw/zinc/50/30/79/1226503079.db2.gz KRAAAKCHINCMFI-MRXNPFEDSA-N 1 0 346.862 2.315 50 0 EEAARO O=C([C@H]1CCOC1)N1CCC[N@H+](CCCCOc2ccccc2)CC1 ZINC001195089167 1283438790 /nfs/dbraw/zinc/43/87/90/1283438790.db2.gz LCSCKLGTGVRSEA-SFHVURJKSA-N 1 0 346.471 2.416 50 0 EEAARO Nc1nc(NC2CC2)cc(N2CCC(c3cc[nH]c(=O)c3)CC2)n1 ZINC001772806144 1410368237 /nfs/dbraw/zinc/36/82/37/1410368237.db2.gz ZKFBBPKMGCZMKZ-UHFFFAOYSA-N 1 0 326.404 2.118 50 0 EEAARO Cc1nccnc1N1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001772814069 1410371097 /nfs/dbraw/zinc/37/10/97/1410371097.db2.gz IEPRCSJAHRLNMD-KRWDZBQOSA-N 1 0 345.491 2.088 50 0 EEAARO CCOC(=O)N1CCC([NH+]2CCC(c3ccn(C)c(=O)c3)CC2)CC1 ZINC001772819694 1410372125 /nfs/dbraw/zinc/37/21/25/1410372125.db2.gz ZWLVVKNOGBVDST-UHFFFAOYSA-N 1 0 347.459 2.186 50 0 EEAARO CNC(=O)[C@@H]1CCC[N@H+](Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000823820355 798768727 /nfs/dbraw/zinc/76/87/27/798768727.db2.gz ZZFVEJWGQADFAO-OAHLLOKOSA-N 1 0 340.427 2.151 50 0 EEAARO Cc1c(C[N@@H+]2C[C@H](O)[C@H](Cc3ccnc4ccccc34)C2)cnn1C ZINC001529154892 1121344571 /nfs/dbraw/zinc/34/45/71/1121344571.db2.gz LLUZPCWSXITJRU-UZLBHIALSA-N 1 0 336.439 2.312 50 0 EEAARO CCCCN(Cc1ccccc1)C(=O)[C@H]1CCC[N@H+](CC(N)=O)C1 ZINC000055212047 214290060 /nfs/dbraw/zinc/29/00/60/214290060.db2.gz FLIVMPPQGLDUAM-KRWDZBQOSA-N 1 0 331.460 2.013 50 0 EEAARO COC[C@@H]1CCCN1C(=O)c1ccc(Cl)cc1OCCC[NH3+] ZINC000426398972 536765026 /nfs/dbraw/zinc/76/50/26/536765026.db2.gz DFLVRUOWSRRANF-ZDUSSCGKSA-N 1 0 326.824 2.319 50 0 EEAARO COc1ccc(N[C@@H]2CS(=O)(=O)C[C@H]2[NH2+]Cc2ccccc2)cc1 ZINC000004188873 210142078 /nfs/dbraw/zinc/14/20/78/210142078.db2.gz IVBBPUCRCSFDLZ-QZTJIDSGSA-N 1 0 346.452 2.063 50 0 EEAARO CN(C/C=C/c1ccccc1)C(=O)c1cn(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000067459645 215149712 /nfs/dbraw/zinc/14/97/12/215149712.db2.gz KFPIWLNMAUHNHB-DKISHCGFSA-N 1 0 339.443 2.063 50 0 EEAARO Cc1cc(C)c(C(=O)NCC[C@H]2CCC[N@@H+](CC(C)C)C2)c(=O)[nH]1 ZINC000067473281 215152240 /nfs/dbraw/zinc/15/22/40/215152240.db2.gz ZOYJMFORZLEBSB-MRXNPFEDSA-N 1 0 333.476 2.480 50 0 EEAARO Cn1cc(C[N@@H+]2CC[C@H](CNC(=O)c3coc4ccccc34)C2)cn1 ZINC000067675036 215180614 /nfs/dbraw/zinc/18/06/14/215180614.db2.gz AWLBMCLFPOOBAS-CQSZACIVSA-N 1 0 338.411 2.418 50 0 EEAARO COc1ccc(C(C)C)cc1S(=O)(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000067843584 215228199 /nfs/dbraw/zinc/22/81/99/215228199.db2.gz VXKKUPVVNHLQOF-CQSZACIVSA-N 1 0 340.489 2.439 50 0 EEAARO Cc1cnc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000067935194 215254511 /nfs/dbraw/zinc/25/45/11/215254511.db2.gz MAKLXNNQFHPZBO-AWEZNQCLSA-N 1 0 328.391 2.176 50 0 EEAARO CC(=O)NC[C@H]1CC[N@H+](Cc2cnn(-c3ccc(C)c(C)c3)c2)C1 ZINC000067935482 215254532 /nfs/dbraw/zinc/25/45/32/215254532.db2.gz KBCLDALTMLRSKG-QGZVFWFLSA-N 1 0 326.444 2.447 50 0 EEAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccc3nonc3c2)C1)NC1CCCC1 ZINC000067947962 215257300 /nfs/dbraw/zinc/25/73/00/215257300.db2.gz IWAXWJNJJLJGHN-AWEZNQCLSA-N 1 0 343.431 2.287 50 0 EEAARO COc1ccc(S(=O)(=O)NC[C@@H](C)[NH+]2CCCC2)cc1Cl ZINC000036077239 213060918 /nfs/dbraw/zinc/06/09/18/213060918.db2.gz JLZAGBBDKXFGTQ-LLVKDONJSA-N 1 0 332.853 2.111 50 0 EEAARO Cc1[nH]c(=O)[nH]c(=O)c1C[N@@H+]1CCC[C@H](CCc2ccccc2F)C1 ZINC000072144367 216031107 /nfs/dbraw/zinc/03/11/07/216031107.db2.gz XBBPAUVRVXFTOD-CQSZACIVSA-N 1 0 345.418 2.356 50 0 EEAARO O=S(=O)(C1CC1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072164600 216053501 /nfs/dbraw/zinc/05/35/01/216053501.db2.gz CHYVDTNASGMMTO-RCCFBDPRSA-N 1 0 332.469 2.041 50 0 EEAARO Cc1n[nH]c(C)c1CNC(=O)c1ccc(C[C@@H]2CCC[NH2+]C2)cc1 ZINC000072162840 216051117 /nfs/dbraw/zinc/05/11/17/216051117.db2.gz VWFZWXWODYCGBD-INIZCTEOSA-N 1 0 326.444 2.499 50 0 EEAARO CCOc1cccc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c1 ZINC000072407796 216198454 /nfs/dbraw/zinc/19/84/54/216198454.db2.gz OXJXWHMFHZRUPT-UHFFFAOYSA-N 1 0 325.412 2.364 50 0 EEAARO CC[N@@H+](Cc1cnn(C)c1)C[C@H]1CC[C@@H](Cc2ccc(OC)nc2)O1 ZINC000072412019 216203856 /nfs/dbraw/zinc/20/38/56/216203856.db2.gz DAFSRNKSKZGGIF-ZWKOTPCHSA-N 1 0 344.459 2.436 50 0 EEAARO CCc1c(C)scc1C(=O)N1CC[C@@H]2[C@@H](CCC(=O)N2CC[NH3+])C1 ZINC000072420065 216209255 /nfs/dbraw/zinc/20/92/55/216209255.db2.gz VXWIXDCOFGLTBV-XJKSGUPXSA-N 1 0 349.500 2.031 50 0 EEAARO C[NH2+]CCN1C(=O)CC[C@H]2CN(C(=O)C3(C)CCCCC3)CC[C@H]21 ZINC000072438341 216231968 /nfs/dbraw/zinc/23/19/68/216231968.db2.gz CSCWYHLMGNKYRP-JKSUJKDBSA-N 1 0 335.492 2.016 50 0 EEAARO C[C@@H]1C[N@H+](C2CCN(C(=O)c3cncc(Cl)c3)CC2)C[C@H](C)O1 ZINC000072478989 216259017 /nfs/dbraw/zinc/25/90/17/216259017.db2.gz KDQRLCDNHSNDFO-BETUJISGSA-N 1 0 337.851 2.449 50 0 EEAARO c1c(CN2CCCC2)nnn1C1CC[NH+](C2CCSCC2)CC1 ZINC000023541977 212380998 /nfs/dbraw/zinc/38/09/98/212380998.db2.gz RAZMNYVINKGRQL-UHFFFAOYSA-N 1 0 335.521 2.406 50 0 EEAARO Cc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc[nH]c3=O)CC2)cc1 ZINC000023243658 212363598 /nfs/dbraw/zinc/36/35/98/212363598.db2.gz AFKJAWWGIQLUFU-UHFFFAOYSA-N 1 0 325.412 2.031 50 0 EEAARO Cn1c(CSc2nnc([C@H]3CCC[NH2+]C3)n2C)nc2ccccc21 ZINC000426635664 241319548 /nfs/dbraw/zinc/31/95/48/241319548.db2.gz XQGYFGFHQBORBH-LBPRGKRZSA-N 1 0 342.472 2.461 50 0 EEAARO Cc1cccc2cc(C(=O)NC[C@H]3COCC[N@@H+](C)C3)c(C)nc12 ZINC000426405166 241279785 /nfs/dbraw/zinc/27/97/85/241279785.db2.gz PTPCDKCQFNWHPR-OAHLLOKOSA-N 1 0 327.428 2.160 50 0 EEAARO O=C([C@@H]1CCC[N@@H+]1Cc1ccccc1)N1CCC(n2cnnc2)CC1 ZINC000426433697 241283847 /nfs/dbraw/zinc/28/38/47/241283847.db2.gz SVQNEDDCWAABIY-SFHVURJKSA-N 1 0 339.443 2.106 50 0 EEAARO O=C(NCCC[NH+]1CCCCC1)[C@H]1CCN(c2ccc(F)cc2)C1=O ZINC000021933088 212263391 /nfs/dbraw/zinc/26/33/91/212263391.db2.gz LAMCDAIUKSTAHV-QGZVFWFLSA-N 1 0 347.434 2.171 50 0 EEAARO CN(CC[NH+]1CCCCCC1)Cc1cnc(NC[C@@H]2CCCO2)nc1 ZINC000223715919 241682408 /nfs/dbraw/zinc/68/24/08/241682408.db2.gz XVPXNSCAORUGOQ-SFHVURJKSA-N 1 0 347.507 2.375 50 0 EEAARO O=C(NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)c1ccc(=O)[nH]n1 ZINC000027343667 283989270 /nfs/dbraw/zinc/98/92/70/283989270.db2.gz MHBWFNITVWMVEO-OAHLLOKOSA-N 1 0 346.818 2.403 50 0 EEAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)[C@H]2CC[C@@H](O)CC2)C1 ZINC000244718713 243067550 /nfs/dbraw/zinc/06/75/50/243067550.db2.gz LPQMMJKGBDMHMH-KURKYZTESA-N 1 0 330.472 2.452 50 0 EEAARO CN(Cc1ccccc1-n1cccn1)c1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000244719157 243069998 /nfs/dbraw/zinc/06/99/98/243069998.db2.gz LXZWKLWWQHWEAN-GASCZTMLSA-N 1 0 349.442 2.086 50 0 EEAARO Cc1ccccc1[C@@]1(O)CC[N@@H+](Cc2ccc(C(=O)N(C)C)o2)C1 ZINC000244741901 243073112 /nfs/dbraw/zinc/07/31/12/243073112.db2.gz NYQHPAUUQNJSPY-LJQANCHMSA-N 1 0 328.412 2.383 50 0 EEAARO Cc1cc(=O)n(CC[N@@H+](C)Cc2ccccc2C(F)(F)F)c(=O)[nH]1 ZINC000253536489 244011483 /nfs/dbraw/zinc/01/14/83/244011483.db2.gz GVNOXNRPGLOIOS-UHFFFAOYSA-N 1 0 341.333 2.408 50 0 EEAARO C[NH+](C)CCN[C@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl ZINC000020149749 212106741 /nfs/dbraw/zinc/10/67/41/212106741.db2.gz DSHHVDQRXVARIA-SNVBAGLBSA-N 1 0 344.695 2.325 50 0 EEAARO CCCCOC[C@H](O)C[N@H+](CCCC)C[C@H](O)COCCCC ZINC000019911990 212082913 /nfs/dbraw/zinc/08/29/13/212082913.db2.gz CPKFSARJQJZBBC-HDICACEKSA-N 1 0 333.513 2.444 50 0 EEAARO C[N@@H+]1CCCN(c2ncccc2CNC(=O)CCc2ccco2)CC1 ZINC000019143615 212001891 /nfs/dbraw/zinc/00/18/91/212001891.db2.gz WKDWSROLQKUYTA-UHFFFAOYSA-N 1 0 342.443 2.066 50 0 EEAARO COC1CC[NH+](C[C@@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000012471348 211390577 /nfs/dbraw/zinc/39/05/77/211390577.db2.gz ADMWDANXHNKZGB-IBGZPJMESA-N 1 0 338.492 2.031 50 0 EEAARO CN(CCCC[NH+]1CCOCC1)Cc1nc(-c2cccs2)no1 ZINC000012302692 211338912 /nfs/dbraw/zinc/33/89/12/211338912.db2.gz NSAGBMUXCUPDOO-UHFFFAOYSA-N 1 0 336.461 2.342 50 0 EEAARO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@H+](CCCn2cnnn2)C1 ZINC000091636171 218036457 /nfs/dbraw/zinc/03/64/57/218036457.db2.gz GIMYOUCCAYCLAJ-SFHVURJKSA-N 1 0 343.431 2.137 50 0 EEAARO CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1 ZINC000009428962 211082597 /nfs/dbraw/zinc/08/25/97/211082597.db2.gz AOFDUGOYNXOKSB-YJBOKZPZSA-N 1 0 345.487 2.260 50 0 EEAARO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(OC)nc1OC)C2 ZINC000095359575 218292754 /nfs/dbraw/zinc/29/27/54/218292754.db2.gz JSXFKSQRSIMYEB-ZIAGYGMSSA-N 1 0 333.432 2.045 50 0 EEAARO Cc1cccc([C@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)N(C)C)c1 ZINC000095364412 218296873 /nfs/dbraw/zinc/29/68/73/218296873.db2.gz GROQYDPDICKKSB-LJQANCHMSA-N 1 0 338.455 2.342 50 0 EEAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4ccccn4)nc3c12 ZINC000006755941 210703446 /nfs/dbraw/zinc/70/34/46/210703446.db2.gz MELCBOYKTTWKFA-UHFFFAOYSA-N 1 0 335.415 2.319 50 0 EEAARO O=C(C[C@@H]1Oc2ccccc2NC1=O)NCCC[NH+]1CCCCCC1 ZINC000005035903 210370146 /nfs/dbraw/zinc/37/01/46/210370146.db2.gz VBOAUTLPFHJQAH-KRWDZBQOSA-N 1 0 345.443 2.159 50 0 EEAARO Cc1n[nH]c(CN2CCCO[C@H](C[NH+]3CCCCC3)C2)c1Cl ZINC000097575029 219036649 /nfs/dbraw/zinc/03/66/49/219036649.db2.gz SJMHEKSMRLTUNA-CQSZACIVSA-N 1 0 326.872 2.448 50 0 EEAARO COC[C@H]1CCCN(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)C1 ZINC000113599290 220577216 /nfs/dbraw/zinc/57/72/16/220577216.db2.gz MNPWOQTVTWIGDG-YOEHRIQHSA-N 1 0 337.439 2.496 50 0 EEAARO FC(F)Oc1ccc(C[N@@H+]2CC[C@H]3OCc4cnnn4[C@H]3C2)cc1 ZINC000299787010 258093770 /nfs/dbraw/zinc/09/37/70/258093770.db2.gz RCVIKSAUIJUMMA-LSDHHAIUSA-N 1 0 336.342 2.225 50 0 EEAARO C[NH+](C)[C@@H]1CCN(C(=O)Nc2cnn(Cc3cccc(F)c3)c2)C1 ZINC000299787409 258094272 /nfs/dbraw/zinc/09/42/72/258094272.db2.gz WVMIMQSXSYXSDI-MRXNPFEDSA-N 1 0 331.395 2.238 50 0 EEAARO O=C(NC[C@H]1CCC[N@@H+](C2CCCC2)C1)c1cccn2cnnc12 ZINC000299796889 258100860 /nfs/dbraw/zinc/10/08/60/258100860.db2.gz OWDZGFKPBSGXTC-CQSZACIVSA-N 1 0 327.432 2.114 50 0 EEAARO CCN1CC2(CCC1=O)CC[NH+](Cc1ccccc1OCCO)CC2 ZINC000091636078 276148592 /nfs/dbraw/zinc/14/85/92/276148592.db2.gz CATJQQKQFCDHDF-UHFFFAOYSA-N 1 0 346.471 2.282 50 0 EEAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@@H]1CCCO1 ZINC000028305575 441429505 /nfs/dbraw/zinc/42/95/05/441429505.db2.gz HUBNOHRHFKKILH-INIZCTEOSA-N 1 0 330.432 2.496 50 0 EEAARO COc1ccc(CC[NH2+][C@H]2CC(=O)N(c3ccc(C)cc3)C2=O)cc1 ZINC000000183069 462546881 /nfs/dbraw/zinc/54/68/81/462546881.db2.gz SSUYIMLTMGYSGL-SFHVURJKSA-N 1 0 338.407 2.468 50 0 EEAARO O=C1C[C@@H]2OCC=C3C[N@@H+]4CC[C@]56c7ccccc7N1[C@@H]5[C@H]2[C@H]3C[C@H]46 ZINC000003875380 462625378 /nfs/dbraw/zinc/62/53/78/462625378.db2.gz QMGVPVSNSZLJIA-BQNQMXPCSA-N 1 0 334.419 2.093 50 0 in-vitro EEAARO Cc1cc(N2CC[NH+](C3CCOCC3)CC2)nc(-c2cccnc2)n1 ZINC000065394454 462762493 /nfs/dbraw/zinc/76/24/93/462762493.db2.gz NZGWLPMBSZXPEJ-UHFFFAOYSA-N 1 0 339.443 2.148 50 0 EEAARO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)cc1 ZINC000065527076 462790104 /nfs/dbraw/zinc/79/01/04/462790104.db2.gz JQJKKHLEBLUSEP-LJQANCHMSA-N 1 0 331.460 2.332 50 0 EEAARO Cc1ccccc1-n1cc(CN2CCO[C@@H](CC[NH+](C)C)C2)cn1 ZINC000012575204 462858068 /nfs/dbraw/zinc/85/80/68/462858068.db2.gz HKTMJXNSXLKGEH-SFHVURJKSA-N 1 0 328.460 2.333 50 0 EEAARO C[NH+](C)[C@@H](CNC(=O)CSc1nncn1C1CC1)c1ccccc1 ZINC000012882405 462873380 /nfs/dbraw/zinc/87/33/80/462873380.db2.gz AJIQAEJJVDQBDB-HNNXBMFYSA-N 1 0 345.472 2.124 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2nc(NC(C)=O)sc2c1 ZINC000013693497 462900935 /nfs/dbraw/zinc/90/09/35/462900935.db2.gz GYQYRJDBGSMVFH-CYBMUJFWSA-N 1 0 346.456 2.469 50 0 EEAARO Cc1cc(N2CCCN(C(=O)CCc3csc(N)n3)CC2)cc[nH+]1 ZINC000077337224 462970132 /nfs/dbraw/zinc/97/01/32/462970132.db2.gz KSHJGUFOWCKCCP-UHFFFAOYSA-N 1 0 345.472 2.100 50 0 EEAARO Cc1nn(C)cc1C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000077437486 462984232 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CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000028013418 463214297 /nfs/dbraw/zinc/21/42/97/463214297.db2.gz XCCSJINJAWRSJU-INIZCTEOSA-N 1 0 329.444 2.183 50 0 EEAARO CCNC(=O)[C@H]1CC[C@@](C)(C(=O)NCC[NH+]2CCCCC2)C1(C)C ZINC000055054729 463279783 /nfs/dbraw/zinc/27/97/83/463279783.db2.gz PVZOTMZKYWUNQZ-BEFAXECRSA-N 1 0 337.508 2.167 50 0 EEAARO CC[N@H+](Cc1cc(F)ccc1-n1nc(C)cc1C)[C@H]1COC[C@@H]1O ZINC000097117294 463331434 /nfs/dbraw/zinc/33/14/34/463331434.db2.gz KPOLNQHNTZRIAS-ROUUACIJSA-N 1 0 333.407 2.210 50 0 EEAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(-n2cnnn2)c(C)c1)C(C)C ZINC000031386868 463338080 /nfs/dbraw/zinc/33/80/80/463338080.db2.gz BPMWZCWPYBSNRC-KRWDZBQOSA-N 1 0 344.463 2.067 50 0 EEAARO O=C(NC[C@H](O)C[N@@H+]1CCc2ccccc2C1)Nc1ccccc1F ZINC000031663641 463349519 /nfs/dbraw/zinc/34/95/19/463349519.db2.gz HLHHCZMBSZMLNA-INIZCTEOSA-N 1 0 343.402 2.366 50 0 EEAARO COc1ccc(CCNc2ccc(NC(=O)CCC[NH3+])cn2)cc1 ZINC000031960978 463360209 /nfs/dbraw/zinc/36/02/09/463360209.db2.gz QFEUVCMALGGDOP-UHFFFAOYSA-N 1 0 328.416 2.422 50 0 EEAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccn(C)c(=O)c1)c1ccsc1 ZINC000031984170 463360453 /nfs/dbraw/zinc/36/04/53/463360453.db2.gz CGMUIXODVJEILF-HNNXBMFYSA-N 1 0 333.457 2.260 50 0 EEAARO Cc1cc(C)n2ncc(C(=O)N[C@@H](C[NH+](C)C)c3ccccc3)c2n1 ZINC000032448593 463378652 /nfs/dbraw/zinc/37/86/52/463378652.db2.gz AUELRHZOBXUWAC-KRWDZBQOSA-N 1 0 337.427 2.379 50 0 EEAARO Cc1onc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c1CO ZINC000071749280 463420389 /nfs/dbraw/zinc/42/03/89/463420389.db2.gz APFUMJVCMVZAGD-MRXNPFEDSA-N 1 0 335.448 2.058 50 0 EEAARO CCNC(=O)[C@@H]1Cc2ccccc2N2CC[N@@H+](C3CCCC3)C[C@H]12 ZINC000035870047 463432440 /nfs/dbraw/zinc/43/24/40/463432440.db2.gz AZOFKZBPDBKXQA-IEBWSBKVSA-N 1 0 327.472 2.428 50 0 EEAARO Cc1cc(NCC2(c3ccc4c(c3)OCO4)CCOCC2)nc(N)[nH+]1 ZINC000071828023 463433703 /nfs/dbraw/zinc/43/37/03/463433703.db2.gz NSTSIQPVJVJETB-UHFFFAOYSA-N 1 0 342.399 2.256 50 0 EEAARO C[N@H+](Cc1cc(-c2ccncc2)no1)CC(C)(C)N1CCOCC1 ZINC000072128219 463482991 /nfs/dbraw/zinc/48/29/91/463482991.db2.gz KDIUBMPLKJXCOC-UHFFFAOYSA-N 1 0 330.432 2.279 50 0 EEAARO Cc1occc1C(=O)NCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000106057836 463503581 /nfs/dbraw/zinc/50/35/81/463503581.db2.gz AHXZHRIXSYMQJG-SFHVURJKSA-N 1 0 327.428 2.307 50 0 EEAARO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccccc1OC[C@H]1CCCO1 ZINC000106067338 463503870 /nfs/dbraw/zinc/50/38/70/463503870.db2.gz IKLNDWXUMUEEPZ-DOTOQJQBSA-N 1 0 344.455 2.459 50 0 EEAARO CC(C)COc1cccc(C(=O)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000106531006 463521696 /nfs/dbraw/zinc/52/16/96/463521696.db2.gz PUSKNESHXAJBDC-WMZOPIPTSA-N 1 0 332.444 2.314 50 0 EEAARO COc1ccc(NC(=O)N2CCC[C@@H]2CN2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000106630124 463528287 /nfs/dbraw/zinc/52/82/87/463528287.db2.gz DDDXJZZJSXMGDP-IJEWVQPXSA-N 1 0 348.447 2.196 50 0 EEAARO CCO[C@@H]1C[C@@H](O)C12CC[NH+]([C@H](C)C(=O)N1CCCCCC1)CC2 ZINC000106916163 463551884 /nfs/dbraw/zinc/55/18/84/463551884.db2.gz FFUTWUHNGSOFHR-BRWVUGGUSA-N 1 0 338.492 2.029 50 0 EEAARO Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000110702053 463662713 /nfs/dbraw/zinc/66/27/13/463662713.db2.gz HSJLJYHHOHMEDC-OALUTQOASA-N 1 0 326.444 2.004 50 0 EEAARO COc1cc(C)sc1C(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000215894822 464106893 /nfs/dbraw/zinc/10/68/93/464106893.db2.gz TWXYTEFMUKAFHT-CYBMUJFWSA-N 1 0 326.462 2.248 50 0 EEAARO Cc1ccc(C(=O)N2CCCO[C@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000221419410 464122840 /nfs/dbraw/zinc/12/28/40/464122840.db2.gz IUOGEKGAGIBTSO-QGZVFWFLSA-N 1 0 331.460 2.415 50 0 EEAARO Cc1nnc(SCCNC(=O)CC[NH+]2Cc3ccccc3C2)s1 ZINC000223206968 464137719 /nfs/dbraw/zinc/13/77/19/464137719.db2.gz BYAALVNFOFLQSG-UHFFFAOYSA-N 1 0 348.497 2.461 50 0 EEAARO CC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)Cc1cccc(-c2nn[nH]n2)c1 ZINC000240128313 464444973 /nfs/dbraw/zinc/44/49/73/464444973.db2.gz IPOVQUBWQVXIBF-MRXNPFEDSA-N 1 0 342.447 2.090 50 0 EEAARO CNC(=O)C[C@H](C)[N@H+](C)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000252480465 464960124 /nfs/dbraw/zinc/96/01/24/464960124.db2.gz CARDZDOJVYWEDO-LBPRGKRZSA-N 1 0 326.396 2.467 50 0 EEAARO Cc1ccccc1CC1(NC(=O)NC[C@H](O)C[NH+]2CCCCC2)CC1 ZINC000584886507 468955576 /nfs/dbraw/zinc/95/55/76/468955576.db2.gz ZAQIZBAQNRHDNO-SFHVURJKSA-N 1 0 345.487 2.216 50 0 EEAARO Cc1cccc(N2CCC([N@H+]3CCO[C@@H](C(=O)N(C)C)C3)CC2)c1C ZINC000584886079 468955585 /nfs/dbraw/zinc/95/55/85/468955585.db2.gz XQLDBJZJHXNPOO-LJQANCHMSA-N 1 0 345.487 2.061 50 0 EEAARO COCC[NH+]1CCC(CN(C)C(=O)[C@H]2CCOC(C)(C)C2)CC1 ZINC000584903534 468960463 /nfs/dbraw/zinc/96/04/63/468960463.db2.gz QOJSVWQVZHJMSF-INIZCTEOSA-N 1 0 326.481 2.008 50 0 EEAARO COc1cc(Cl)ccc1C(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000649134268 470477630 /nfs/dbraw/zinc/47/76/30/470477630.db2.gz UDEBZMBMLHIKMX-UHFFFAOYSA-N 1 0 338.835 2.285 50 0 EEAARO C[N@H+](Cc1cnn2cccnc12)CC1(N2CCOCC2)CCCCC1 ZINC000216117051 536485132 /nfs/dbraw/zinc/48/51/32/536485132.db2.gz SBHVJOJVQSQBES-UHFFFAOYSA-N 1 0 343.475 2.196 50 0 EEAARO COc1cccc(-n2c(C[NH3+])nnc2SC[C@@H]2CCCOC2)c1 ZINC000426573118 537071669 /nfs/dbraw/zinc/07/16/69/537071669.db2.gz LXTPCODHLXNKGV-GFCCVEGCSA-N 1 0 334.445 2.253 50 0 EEAARO CCCn1cc(C(=O)N2CCC[N@H+](C[C@@H]3CCCOC3)CC2)c(C)n1 ZINC000982706158 682080182 /nfs/dbraw/zinc/08/01/82/682080182.db2.gz NZDWLWLGODAMGY-KRWDZBQOSA-N 1 0 348.491 2.176 50 0 EEAARO Cc1ccc(O[C@H](C)C(=O)N2CCC(CO)(C[NH+](C)C)CC2)cc1C ZINC001772702994 1179287378 /nfs/dbraw/zinc/28/73/78/1179287378.db2.gz BPJQGLMHWHMIJQ-QGZVFWFLSA-N 1 0 348.487 2.233 50 0 EEAARO COC(=O)c1ccc(CN2CC[N@H+](CCC(C)C)[C@H](CCO)C2)cc1 ZINC000253916595 1217134698 /nfs/dbraw/zinc/13/46/98/1217134698.db2.gz RSUUBEJGFGRPID-LJQANCHMSA-N 1 0 348.487 2.388 50 0 EEAARO Cc1nn(C)cc1-c1ccnc(N2CCC[C@]3(CCC[N@H+](C)C3)C2)n1 ZINC000020455638 1229554874 /nfs/dbraw/zinc/55/48/74/1229554874.db2.gz QAFYTCYCEBAWHC-IBGZPJMESA-N 1 0 340.475 2.498 50 0 EEAARO COc1ccccc1[C@H](O)CNc1cc(C2CC[NH2+]CC2)nc(C)n1 ZINC000067771823 1249991924 /nfs/dbraw/zinc/99/19/24/1249991924.db2.gz UNIPZFYDHPAMKT-QGZVFWFLSA-N 1 0 342.443 2.406 50 0 EEAARO O=C(CCNC(=O)C1([NH+]2CCCCC2)CCCCC1)N1CCCC1 ZINC000952973052 796114420 /nfs/dbraw/zinc/11/44/20/796114420.db2.gz RGMSXLHHVCUHON-UHFFFAOYSA-N 1 0 335.492 2.304 50 0 EEAARO CC[C@H](C(=O)Nc1ccccc1CN1CCOCC1)[NH+]1CCCC1 ZINC000952980259 796127743 /nfs/dbraw/zinc/12/77/43/796127743.db2.gz OXGNBCUSYPNLIJ-GOSISDBHSA-N 1 0 331.460 2.332 50 0 EEAARO COCC(=O)Nc1ccc(C)c(NC(=O)C[N@H+](C)C2CCCC2)c1 ZINC000952967372 796130931 /nfs/dbraw/zinc/13/09/31/796130931.db2.gz BAIVOCJEPAFFER-UHFFFAOYSA-N 1 0 333.432 2.393 50 0 EEAARO Cn1cc(C(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)ccc1=O ZINC000952980916 796131874 /nfs/dbraw/zinc/13/18/74/796131874.db2.gz BCQFJLDJCNTVRY-UHFFFAOYSA-N 1 0 341.411 2.111 50 0 EEAARO CN(C)c1nc(NC2CC[NH+](Cc3cccnc3)CC2)ncc1F ZINC000823741552 798761120 /nfs/dbraw/zinc/76/11/20/798761120.db2.gz MFUDNDKRLDKCPS-UHFFFAOYSA-N 1 0 330.411 2.153 50 0 EEAARO Cc1ccc(NC(C)(C)C(=O)NCCC[N@@H+]2CCC[C@@H](CO)C2)cc1 ZINC000828711069 800806390 /nfs/dbraw/zinc/80/63/90/800806390.db2.gz ASADUJZVIRGAES-QGZVFWFLSA-N 1 0 347.503 2.396 50 0 EEAARO COc1ccc(S(=O)(=O)N2CCCC[C@H]([NH+](C)C)C2)cc1Cl ZINC001506400474 1114596160 /nfs/dbraw/zinc/59/61/60/1114596160.db2.gz VKDGUIRPVFJYTF-LBPRGKRZSA-N 1 0 346.880 2.453 50 0 EEAARO CC(C)c1noc([C@@H]2CCCN2C(=O)[C@@H]([NH3+])Cc2ccc(O)cc2)n1 ZINC001506423264 1114602696 /nfs/dbraw/zinc/60/26/96/1114602696.db2.gz DVHHPPFTVSESBF-GJZGRUSLSA-N 1 0 344.415 2.132 50 0 EEAARO CCn1ncc(C)c1NC(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC001529167914 1121350520 /nfs/dbraw/zinc/35/05/20/1121350520.db2.gz RESISTOZJVFVDR-UHFFFAOYSA-N 1 0 327.432 2.216 50 0 EEAARO COc1cc(NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)nc(N)n1 ZINC001529172907 1121354608 /nfs/dbraw/zinc/35/46/08/1121354608.db2.gz SRCLCVDMQZRAOW-HNNXBMFYSA-N 1 0 327.432 2.359 50 0 EEAARO Cc1cc(C[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)C[C@H]2O)[nH]n1 ZINC001529178471 1121355386 /nfs/dbraw/zinc/35/53/86/1121355386.db2.gz MKWAKGRPHVAUHD-RDTXWAMCSA-N 1 0 338.411 2.007 50 0 EEAARO CC1CC[NH+](CCCNC(=O)Cn2ccc3ccccc3c2=O)CC1 ZINC000004563215 210221656 /nfs/dbraw/zinc/22/16/56/210221656.db2.gz NHOAVDUKPLSLCH-UHFFFAOYSA-N 1 0 341.455 2.240 50 0 EEAARO CC1(C)CC(Nc2c(=O)c(=O)c2NCc2ccccn2)CC(C)(C)[NH2+]1 ZINC000101697745 219158376 /nfs/dbraw/zinc/15/83/76/219158376.db2.gz DARFFDKOMPNIQL-UHFFFAOYSA-N 1 0 342.443 2.011 50 0 EEAARO C[NH+](C)C[C@H]1[C@@H]2CN(C(=O)c3cccc(CCC(C)(C)O)c3)C[C@H]12 ZINC000102158373 219187899 /nfs/dbraw/zinc/18/78/99/219187899.db2.gz DILZIPVNOFPOTO-NNZMDNLPSA-N 1 0 330.472 2.270 50 0 EEAARO CCOc1c(CN(C)c2ncnc3c2CC[NH2+]C3)cccc1OC ZINC000067541862 215159583 /nfs/dbraw/zinc/15/95/83/215159583.db2.gz NQGPHZBICRJRPX-UHFFFAOYSA-N 1 0 328.416 2.166 50 0 EEAARO C[C@@H]1C[C@@H](C)C[NH+](CCOc2ccc(CNN3CCOCC3)cc2)C1 ZINC000067613940 215168798 /nfs/dbraw/zinc/16/87/98/215168798.db2.gz FUNLJDCYFPRTOJ-QZTJIDSGSA-N 1 0 347.503 2.380 50 0 EEAARO O=S(=O)(NC[C@@H]1CC[N@@H+](Cc2cccc(O)c2)C1)c1ccccc1 ZINC000067770906 215207512 /nfs/dbraw/zinc/20/75/12/215207512.db2.gz PUXFCXBQCDULRD-INIZCTEOSA-N 1 0 346.452 2.193 50 0 EEAARO CCOc1ccc2[nH]c(=O)c(C[N@H+](C)C3CCN(C)CC3)cc2c1 ZINC000067789032 215213559 /nfs/dbraw/zinc/21/35/59/215213559.db2.gz AVMXONQCBFIFRY-UHFFFAOYSA-N 1 0 329.444 2.453 50 0 EEAARO O=c1c2ccccc2cnn1CC[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000067818712 215221276 /nfs/dbraw/zinc/22/12/76/215221276.db2.gz WKTONLGOQYZXNI-IBGZPJMESA-N 1 0 348.450 2.261 50 0 EEAARO CC(C)Oc1ccc(C[N@@H+]2CCC[C@@H](CNS(C)(=O)=O)C2)cc1 ZINC000067869264 215235841 /nfs/dbraw/zinc/23/58/41/215235841.db2.gz UFWFORJQZRMAHY-INIZCTEOSA-N 1 0 340.489 2.235 50 0 EEAARO C[NH+](C)CCCNC(=O)Cn1ccc2ccc(Br)cc21 ZINC000040283660 213287952 /nfs/dbraw/zinc/28/79/52/213287952.db2.gz SSDYGIUQLBKZGX-UHFFFAOYSA-N 1 0 338.249 2.472 50 0 EEAARO COc1ccc(Br)c(C(=O)N(C)C2CC[NH2+]CC2)c1 ZINC000036282810 213082149 /nfs/dbraw/zinc/08/21/49/213082149.db2.gz MUDFYRIDFUTDMZ-UHFFFAOYSA-N 1 0 327.222 2.282 50 0 EEAARO Cc1cc(-n2cccn2)ccc1CN1CCOC[C@H](C[NH+](C)C)C1 ZINC000072143693 216028861 /nfs/dbraw/zinc/02/88/61/216028861.db2.gz CMMHYWFRZSJEBS-QGZVFWFLSA-N 1 0 328.460 2.191 50 0 EEAARO COc1cccc(CC[C@H]2CCC[N@H+](CCCn3cnnn3)C2)c1 ZINC000072147043 216034184 /nfs/dbraw/zinc/03/41/84/216034184.db2.gz SMKOQDGAMXFVDW-QGZVFWFLSA-N 1 0 329.448 2.417 50 0 EEAARO Cn1ncc2c1nc(-c1ccncc1)nc2NCC[C@H]1CCC[N@@H+]1C ZINC000072150299 216037758 /nfs/dbraw/zinc/03/77/58/216037758.db2.gz ZLDHHIMIIZCWCZ-CQSZACIVSA-N 1 0 337.431 2.322 50 0 EEAARO CC(C)(C[N@@H+]1CCCN(Cc2ccc(F)cc2)CC1)N1CCOCC1 ZINC000072157388 216047220 /nfs/dbraw/zinc/04/72/20/216047220.db2.gz RMIOSWKIPCWSRR-UHFFFAOYSA-N 1 0 349.494 2.444 50 0 EEAARO O=c1cc(C[N@H+]2CCC[C@](O)(CO)CC2)[nH]c2ccc(Cl)cc12 ZINC000072165632 216054821 /nfs/dbraw/zinc/05/48/21/216054821.db2.gz JVNFJOUMEDQUPF-QGZVFWFLSA-N 1 0 336.819 2.303 50 0 EEAARO Cc1ccc(-c2cc(C(=O)N[C@@H]3C[NH2+]C[C@H]3O)c3ccccc3n2)cc1 ZINC000072418737 216206414 /nfs/dbraw/zinc/20/64/14/216206414.db2.gz AXYLOCFSJHGSFF-WOJBJXKFSA-N 1 0 347.418 2.273 50 0 EEAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CC[C@](O)(C[NH+](C)C)C2)c1 ZINC000072423585 216213368 /nfs/dbraw/zinc/21/33/68/216213368.db2.gz YRZTXMZJQLYIHG-IBGZPJMESA-N 1 0 328.460 2.192 50 0 EEAARO Cc1ncc2c(c1CNC(=O)c1cccc(-n3cccn3)c1)CC[NH2+]C2 ZINC000072423740 216213934 /nfs/dbraw/zinc/21/39/34/216213934.db2.gz ZMYXJTAIGNWGGS-UHFFFAOYSA-N 1 0 347.422 2.151 50 0 EEAARO Cc1cccc(OCC(=O)N[C@H]2CC[C@H]2[NH2+]C2CCOCC2)c1C ZINC000072425079 216215111 /nfs/dbraw/zinc/21/51/11/216215111.db2.gz GQXNARTWUAIDRM-SJORKVTESA-N 1 0 332.444 2.098 50 0 EEAARO CCN1CCC([NH2+][C@@H]2CC(=O)N(CCc3ccc(F)cc3)C2)CC1 ZINC000023338521 212368862 /nfs/dbraw/zinc/36/88/62/212368862.db2.gz LKPGZTVCQDENPX-GOSISDBHSA-N 1 0 333.451 2.043 50 0 EEAARO CN(CC(=O)N(Cc1ccncc1)C1CCCCC1)C1CC[NH2+]CC1 ZINC000215858121 241150635 /nfs/dbraw/zinc/15/06/35/241150635.db2.gz MLWIYCBDWRXWMY-UHFFFAOYSA-N 1 0 344.503 2.427 50 0 EEAARO Cc1ccccc1CCNC(=O)Cn1ccc([C@@H]2CCC[NH2+]C2)n1 ZINC000426548943 241309091 /nfs/dbraw/zinc/30/90/91/241309091.db2.gz YISGGNFOQRJOJL-QGZVFWFLSA-N 1 0 326.444 2.017 50 0 EEAARO O=C(NCCc1cccc(F)c1)N1CCCO[C@H](C[NH+]2CCCC2)C1 ZINC000426582802 241310921 /nfs/dbraw/zinc/31/09/21/241310921.db2.gz JXGWECGXJKNYGK-GOSISDBHSA-N 1 0 349.450 2.265 50 0 EEAARO CN1CCN(c2nnc(-n3cccc3C[NH+]3CCCCC3)s2)CC1 ZINC000021880792 212258336 /nfs/dbraw/zinc/25/83/36/212258336.db2.gz IIXIUQULVWFMQF-UHFFFAOYSA-N 1 0 346.504 2.067 50 0 EEAARO O=C(CN1Cc2ccccc2C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000225418717 241853585 /nfs/dbraw/zinc/85/35/85/241853585.db2.gz XVHLCYVSHPNGEO-CRAIPNDOSA-N 1 0 341.455 2.023 50 0 biogenic EEAARO COc1cc(CCNc2cc([C@H]3C[C@@H]([NH3+])C3)ncn2)cc(OC)c1 ZINC000244873161 243091451 /nfs/dbraw/zinc/09/14/51/243091451.db2.gz WLBJVVKNPAJUCN-OKILXGFUSA-N 1 0 328.416 2.353 50 0 EEAARO CSCC[NH+]1CCC(NC(=O)Cc2nc(C)sc2C)CC1 ZINC000244884275 243096908 /nfs/dbraw/zinc/09/69/08/243096908.db2.gz YISNMACKUOOSHX-UHFFFAOYSA-N 1 0 327.519 2.246 50 0 EEAARO OCC1CC[NH+]([C@H]2CCCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000020271715 212115650 /nfs/dbraw/zinc/11/56/50/212115650.db2.gz VBXBTJJRZAJJON-KRWDZBQOSA-N 1 0 332.444 2.084 50 0 EEAARO CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000012303333 211339257 /nfs/dbraw/zinc/33/92/57/211339257.db2.gz KADIGBHNXZYTPV-SFHVURJKSA-N 1 0 329.488 2.499 50 0 EEAARO O=C(c1cn([C@H]2CCC[N@H+](Cc3ccoc3)C2)nn1)N1CCCCC1 ZINC000012079792 211288686 /nfs/dbraw/zinc/28/86/86/211288686.db2.gz FBGYNAQMKPANOQ-INIZCTEOSA-N 1 0 343.431 2.334 50 0 EEAARO Cc1ccc(N2C[C@@H](C)N(C(=O)CC[NH+]3CCCCC3)CC2=O)cc1 ZINC000091426815 218004537 /nfs/dbraw/zinc/00/45/37/218004537.db2.gz OYCHXERASMCQFS-QGZVFWFLSA-N 1 0 343.471 2.435 50 0 EEAARO O=C(NCCCC[NH+]1CCCC1)c1cnc(-c2ccccc2)[nH]c1=O ZINC000091468467 218010569 /nfs/dbraw/zinc/01/05/69/218010569.db2.gz MTUFNMLLTPNJKB-UHFFFAOYSA-N 1 0 340.427 2.043 50 0 EEAARO O=C(CCc1cccc(F)c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091476252 218012065 /nfs/dbraw/zinc/01/20/65/218012065.db2.gz LWGBDEIGYREQGZ-QZTJIDSGSA-N 1 0 348.462 2.311 50 0 EEAARO CC(C)C[N@H+](C)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000011879418 211262722 /nfs/dbraw/zinc/26/27/22/211262722.db2.gz PBEGBJZLJHBHLK-SFHVURJKSA-N 1 0 340.414 2.406 50 0 EEAARO O=c1cc(C[NH+]2CCC(N3CCOCC3)CC2)[nH]c2ccc(F)cc12 ZINC000091695254 218049838 /nfs/dbraw/zinc/04/98/38/218049838.db2.gz NUUPILUCLQVKSL-UHFFFAOYSA-N 1 0 345.418 2.376 50 0 EEAARO COCCn1ccnc1[C@@H]1CCC[N@H+](Cc2[nH]cc(C)c(=O)c2C)C1 ZINC000091706947 218051278 /nfs/dbraw/zinc/05/12/78/218051278.db2.gz RVGOFFACVSZIFJ-MRXNPFEDSA-N 1 0 344.459 2.214 50 0 EEAARO CC[C@@H](C(=O)N1CC[NH+](C2Cc3ccccc3C2)CC1)n1cccn1 ZINC000091626417 218035772 /nfs/dbraw/zinc/03/57/72/218035772.db2.gz QOHQLSFVNPBJGW-IBGZPJMESA-N 1 0 338.455 2.146 50 0 EEAARO CCOc1ccc(C[N@@H+]2CC[C@@](O)(COC)C(C)(C)C2)cc1CO ZINC000091645854 218038797 /nfs/dbraw/zinc/03/87/97/218038797.db2.gz WSAKUAKIIHNAFR-LJQANCHMSA-N 1 0 337.460 2.187 50 0 EEAARO Cc1cc(C(F)(F)F)nc(CCNC(=O)[C@@H]2CCCCC[N@H+]2C)n1 ZINC000091713784 218053969 /nfs/dbraw/zinc/05/39/69/218053969.db2.gz LFTUQNOPWGFVIO-LBPRGKRZSA-N 1 0 344.381 2.337 50 0 EEAARO COc1cccc(C[NH+]2CCC3(CCC(=O)N(C[C@H](C)O)C3)CC2)c1 ZINC000091933966 218091748 /nfs/dbraw/zinc/09/17/48/218091748.db2.gz HDGFVGILHRIJTL-INIZCTEOSA-N 1 0 346.471 2.281 50 0 EEAARO Cc1ccc(CCC2CC[NH+](CC(=O)N3CCNC3=O)CC2)cc1 ZINC000009483590 211090318 /nfs/dbraw/zinc/09/03/18/211090318.db2.gz WVJIBECUOYHDFA-UHFFFAOYSA-N 1 0 329.444 2.191 50 0 EEAARO COCc1cc(CN(C)C(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)[nH]n1 ZINC000095352270 218286311 /nfs/dbraw/zinc/28/63/11/218286311.db2.gz SYHLEGSVKVANOY-CQSZACIVSA-N 1 0 346.431 2.020 50 0 EEAARO CCc1c(C)[nH+]c(N)nc1N1CCN(c2ncnc3ccccc32)CC1 ZINC000095369598 218303127 /nfs/dbraw/zinc/30/31/27/218303127.db2.gz IGACLYKOHCTQQZ-UHFFFAOYSA-N 1 0 349.442 2.199 50 0 EEAARO CC(C)[C@@H]1CN(C(=O)CN(C)Cc2ccccc2F)C[C@H]1[NH+](C)C ZINC000095371595 218304417 /nfs/dbraw/zinc/30/44/17/218304417.db2.gz HOEVAXROSKKDNX-FUHWJXTLSA-N 1 0 335.467 2.302 50 0 EEAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000095373608 218306222 /nfs/dbraw/zinc/30/62/22/218306222.db2.gz WTJPDAVNKKVLLZ-HNNXBMFYSA-N 1 0 329.448 2.183 50 0 EEAARO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000095390302 218321687 /nfs/dbraw/zinc/32/16/87/218321687.db2.gz MPGLXJDISBITFX-MRXNPFEDSA-N 1 0 333.480 2.230 50 0 EEAARO CCc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCOCC3)C2)nc1 ZINC000095383492 218315961 /nfs/dbraw/zinc/31/59/61/218315961.db2.gz XCSPRQGKTZXSPY-KRWDZBQOSA-N 1 0 345.487 2.493 50 0 EEAARO O=C(NCC[N@@H+]1CCC[C@@H](c2ccccc2)C1)c1cn2cccnc2n1 ZINC000097475004 219028896 /nfs/dbraw/zinc/02/88/96/219028896.db2.gz SIPWVRIDEQYXPV-QGZVFWFLSA-N 1 0 349.438 2.339 50 0 EEAARO C[NH+](C)C1(CNC(=O)Nc2ccnn2-c2ccccc2)CCOCC1 ZINC000097499614 219030944 /nfs/dbraw/zinc/03/09/44/219030944.db2.gz ULGMWLIKCHRXDM-UHFFFAOYSA-N 1 0 343.431 2.105 50 0 EEAARO O[C@H]1CN(Cc2cc3c(cc2Cl)OCO3)C[C@@H]1[NH+]1CCCCC1 ZINC000097514472 219032780 /nfs/dbraw/zinc/03/27/80/219032780.db2.gz PJRSHAZBQRHROG-GJZGRUSLSA-N 1 0 338.835 2.100 50 0 EEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000112511461 220341987 /nfs/dbraw/zinc/34/19/87/220341987.db2.gz NHNIGXSDNQMGNS-QWRGUYRKSA-N 1 0 336.379 2.453 50 0 EEAARO Cc1cc(C)c(NC(=O)CNC(=O)C[N@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000012879083 258055618 /nfs/dbraw/zinc/05/56/18/258055618.db2.gz DXFJFTOTCBJZPB-ZDUSSCGKSA-N 1 0 331.460 2.398 50 0 EEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)c1ccc(Cn2cccc2)cc1 ZINC000299767418 258081958 /nfs/dbraw/zinc/08/19/58/258081958.db2.gz KTJFQZXLNHPCEE-OALUTQOASA-N 1 0 341.455 2.374 50 0 EEAARO C[C@@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000109040328 286924730 /nfs/dbraw/zinc/92/47/30/286924730.db2.gz KDZUSEYYCPQEMA-MNOVXSKESA-N 1 0 336.379 2.453 50 0 EEAARO C[NH+]1CCC(NC(=O)c2nn(-c3ccccc3F)c3c2CCC3)CC1 ZINC000033225932 277030696 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CCC[N@H+](Cc1ccc(S(=O)(=O)NC)cc1)Cc1cccnc1 ZINC000063844830 462677586 /nfs/dbraw/zinc/67/75/86/462677586.db2.gz ZIRUFFSVMZHBDW-UHFFFAOYSA-N 1 0 333.457 2.402 50 0 EEAARO COCCC[NH2+]C[C@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000006552533 462689880 /nfs/dbraw/zinc/68/98/80/462689880.db2.gz KNZLKLAIDAGTNE-AWEZNQCLSA-N 1 0 325.449 2.359 50 0 EEAARO C[NH+]1CCN(c2ncnc3c2cnn3Cc2ccccc2Cl)CC1 ZINC000006760015 462703444 /nfs/dbraw/zinc/70/34/44/462703444.db2.gz HDQYOLBRTBEBJU-UHFFFAOYSA-N 1 0 342.834 2.280 50 0 EEAARO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000089926009 462743484 /nfs/dbraw/zinc/74/34/84/462743484.db2.gz HVSBPBAXTNTWGB-GOSISDBHSA-N 1 0 343.427 2.137 50 0 EEAARO O=C(CC[NH2+][C@@H]1CCN(Cc2ccccc2)C1)NCc1ccco1 ZINC000065393774 462762658 /nfs/dbraw/zinc/76/26/58/462762658.db2.gz JNDRNBSRALPESG-QGZVFWFLSA-N 1 0 327.428 2.150 50 0 EEAARO Cc1ncccc1OC1(C(=O)N2CC=C[C@@H]2C(C)C)CC[NH2+]CC1 ZINC000065396867 462763578 /nfs/dbraw/zinc/76/35/78/462763578.db2.gz KXWIXOSYFKXKJH-MRXNPFEDSA-N 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O=C(c1cnc(C2CC2)nc1)N1CC[NH+](C2CCSCC2)CC1 ZINC000097307277 219011335 /nfs/dbraw/zinc/01/13/35/219011335.db2.gz CTUSNCTUVXXIGD-UHFFFAOYSA-N 1 0 332.473 2.007 50 0 EEAARO CN(CC(=O)NC[C@H]1CC[N@@H+](C2CCCCC2)C1)Cc1cccnc1 ZINC000299781257 258090273 /nfs/dbraw/zinc/09/02/73/258090273.db2.gz USWSBGIXTDVOCN-GOSISDBHSA-N 1 0 344.503 2.284 50 0 EEAARO COc1ccc(-c2cc(CNC(=O)C[N@@H+]3C[C@@H]4CC[C@H]3C4)no2)cc1 ZINC000299790738 258096215 /nfs/dbraw/zinc/09/62/15/258096215.db2.gz CEXYSTDPSYDFPB-CJNGLKHVSA-N 1 0 341.411 2.451 50 0 EEAARO C[NH+]1CCC(Oc2ccc(NC(=O)NC3CCOCC3)cc2)CC1 ZINC000299796274 258100320 /nfs/dbraw/zinc/10/03/20/258100320.db2.gz ODZUJUCLIALDAW-UHFFFAOYSA-N 1 0 333.432 2.460 50 0 EEAARO CCc1cc(C(=O)NC[C@H]2Cc3ccccc3C[N@@H+]2C)cc(=O)[nH]1 ZINC000299797348 258101629 /nfs/dbraw/zinc/10/16/29/258101629.db2.gz ONAZCSCRCOWHKR-QGZVFWFLSA-N 1 0 325.412 2.136 50 0 EEAARO C[NH+](C)CC(=O)N1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000072477964 258064665 /nfs/dbraw/zinc/06/46/65/258064665.db2.gz 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C[NH+]1CCN(c2nccc(-c3cnn(-c4ccccc4F)c3)n2)CC1 ZINC000023250278 679958798 /nfs/dbraw/zinc/95/87/98/679958798.db2.gz BXOHHVSNZHTNRK-UHFFFAOYSA-N 1 0 338.390 2.220 50 0 EEAARO COC(=O)c1ccc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)cc1 ZINC000019300986 1229247306 /nfs/dbraw/zinc/24/73/06/1229247306.db2.gz RSUUBEJGFGRPID-IBGZPJMESA-N 1 0 348.487 2.388 50 0 EEAARO NC(=O)[C@@H]1CCC[N@H+](CCCNc2nnc(-c3ccccc3)s2)C1 ZINC000090089002 1357010900 /nfs/dbraw/zinc/01/09/00/1357010900.db2.gz FSZBKHXSQRKKCV-CQSZACIVSA-N 1 0 345.472 2.204 50 0 EEAARO Cn1ccc(C2CC[NH+](CCC(=O)NC3CCCCC3)CC2)cc1=O ZINC001772815117 1410371246 /nfs/dbraw/zinc/37/12/46/1410371246.db2.gz JGADUCNTHRIMEA-UHFFFAOYSA-N 1 0 345.487 2.404 50 0 EEAARO O=C(c1cnc2ccccc2c1)N1CCC[N@@H+]([C@H]2CCOC2)CC1 ZINC001772815959 1410372789 /nfs/dbraw/zinc/37/27/89/1410372789.db2.gz FDUCNTOZTVNDIJ-KRWDZBQOSA-N 1 0 325.412 2.172 50 0 EEAARO CC1(C)[C@@H]2C[C@H]1C(C[NH+]1CCN(c3ncccc3C(N)=O)CC1)=CC2 ZINC000952973626 796116090 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Cc1nc2cc(CNC(=O)c3cccc(OCC[NH3+])c3)ccc2n1C ZINC000426634369 241320800 /nfs/dbraw/zinc/32/08/00/241320800.db2.gz ZIXMAIXINSXZCH-UHFFFAOYSA-N 1 0 338.411 2.149 50 0 EEAARO CCc1nnc(CSc2nnc([C@@H]([NH3+])Cc3ccccc3)n2C)[nH]1 ZINC000426478214 241294343 /nfs/dbraw/zinc/29/43/43/241294343.db2.gz YJXOTZYEZYHBIE-LBPRGKRZSA-N 1 0 343.460 2.030 50 0 EEAARO CC1(C)CC(NC(=O)c2ccc(-n3cncn3)cc2)CC(C)(C)[NH2+]1 ZINC000021472953 212225695 /nfs/dbraw/zinc/22/56/95/212225695.db2.gz RTDFRJKANJBUNC-UHFFFAOYSA-N 1 0 327.432 2.306 50 0 EEAARO O=C([C@H]1CCC[NH2+]C1)N1C[C@@H](CCN2CCCC2=O)c2ccccc21 ZINC000120456147 296111082 /nfs/dbraw/zinc/11/10/82/296111082.db2.gz BEZVHXSXRGJXGF-JKSUJKDBSA-N 1 0 341.455 2.129 50 0 EEAARO CCC[NH+]1CCN(CCCNC(=O)c2noc3c2CCCCC3)CC1 ZINC000020940801 212191364 /nfs/dbraw/zinc/19/13/64/212191364.db2.gz OTWZMDQLYJATJI-UHFFFAOYSA-N 1 0 348.491 2.091 50 0 EEAARO OC1C2(Cc3ccccc3)CN3CC1(Cc1ccccc1)C[NH+](C2)CC3 ZINC000019939507 212087554 /nfs/dbraw/zinc/08/75/54/212087554.db2.gz 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C[C@@H]1C[N@H+](CCCOc2ccc(C(N)=O)cc2)C[C@@]1(O)C1CCC1 ZINC000092077767 218116018 /nfs/dbraw/zinc/11/60/18/218116018.db2.gz GQNYADVNIXTLHC-KUHUBIRLSA-N 1 0 332.444 2.037 50 0 EEAARO COCC[N@@H+]1C[C@H](NC(=O)CCc2cccc(F)c2)[C@@H](C2CC2)C1 ZINC000092078329 218116394 /nfs/dbraw/zinc/11/63/94/218116394.db2.gz UUCORWRWOSVAMI-MSOLQXFVSA-N 1 0 334.435 2.231 50 0 EEAARO O=C1CC[C@@]2(CCC[N@H+](Cc3ccoc3)C2)CN1CCc1c[nH]cn1 ZINC000092078640 218117655 /nfs/dbraw/zinc/11/76/55/218117655.db2.gz OUFLQHYBARFLQA-LJQANCHMSA-N 1 0 342.443 2.450 50 0 EEAARO O=C(C1CC[NH+](Cc2ccco2)CC1)N1C[C@H]2CCC[C@@]2(CO)C1 ZINC000095354354 218287829 /nfs/dbraw/zinc/28/78/29/218287829.db2.gz JKJKQHCOHWZJRK-APWZRJJASA-N 1 0 332.444 2.113 50 0 EEAARO CCc1ccc(C[NH+]2CCC3(CC(=O)N(CCCOC)C3)CC2)nc1 ZINC000095372704 218305478 /nfs/dbraw/zinc/30/54/78/218305478.db2.gz SUWZMRYGTAUZLI-UHFFFAOYSA-N 1 0 345.487 2.495 50 0 EEAARO COc1ccc(OCC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000008881368 211015450 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EEAARO Cc1n[nH]c(C)c1CC(=O)N[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670468368 485652620 /nfs/dbraw/zinc/65/26/20/485652620.db2.gz LUWNIROIWFPDAQ-AWEZNQCLSA-N 1 0 332.473 2.411 50 0 EEAARO Nc1nnc([C@H](NC(=O)CCC[NH+]2CCCC2)c2ccccc2)s1 ZINC000219993438 518197885 /nfs/dbraw/zinc/19/78/85/518197885.db2.gz TXAZXGVPRFAQBC-OAHLLOKOSA-N 1 0 345.472 2.202 50 0 EEAARO CCC[NH+]1CCC(CNC(=O)N2CC[C@@H](Oc3cccnc3)C2)CC1 ZINC000129131196 528184648 /nfs/dbraw/zinc/18/46/48/528184648.db2.gz BRWZARQKRMRGBC-GOSISDBHSA-N 1 0 346.475 2.366 50 0 EEAARO CC(=O)N[C@@H]1C[N@@H+](Cc2ccccc2-n2cccn2)C[C@H]1C(C)C ZINC000077516148 679624072 /nfs/dbraw/zinc/62/40/72/679624072.db2.gz NXDSNTHAFJRSMI-ZWKOTPCHSA-N 1 0 326.444 2.465 50 0 EEAARO Cc1nncn1CC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001772704308 1179290127 /nfs/dbraw/zinc/29/01/27/1179290127.db2.gz AEJZLIHGDJLCLQ-UHFFFAOYSA-N 1 0 347.850 2.088 50 0 EEAARO Cc1cc(CC(=O)N2C[C@H]3C[NH2+]C[C@]3(CCc3ccccc3)C2)on1 ZINC001772708487 1179298844 /nfs/dbraw/zinc/29/88/44/1179298844.db2.gz IHMPLQFFAKBCLB-YLJYHZDGSA-N 1 0 339.439 2.206 50 0 EEAARO Cc1c(-c2cc(C(=O)N[C@@H](C)C[NH+]3CCC(C)CC3)on2)cnn1C ZINC000013641731 1224038757 /nfs/dbraw/zinc/03/87/57/1224038757.db2.gz RJXNZKPPSBONSF-ZDUSSCGKSA-N 1 0 345.447 2.234 50 0 EEAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]C1CC=CC1 ZINC000067878241 1236280025 /nfs/dbraw/zinc/28/00/25/1236280025.db2.gz QQIOJWSCZLCMLX-HXUWFJFHSA-N 1 0 328.456 2.281 50 0 EEAARO C[N@@H+]1CCCC[C@H]1CNS(=O)(=O)Cc1ccc(Cl)cc1F ZINC001191912642 1281728418 /nfs/dbraw/zinc/72/84/18/1281728418.db2.gz CJLJCGMHUQHSOY-ZDUSSCGKSA-N 1 0 334.844 2.383 50 0 EEAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)Cc2cnc[nH]2)CC1 ZINC000063845022 793912061 /nfs/dbraw/zinc/91/20/61/793912061.db2.gz VCFWRKKBPZGIIY-UHFFFAOYSA-N 1 0 326.444 2.118 50 0 EEAARO CC[C@@H](C(=O)Nc1ccccc1CN1CCOCC1)[NH+]1CCCC1 ZINC000952980261 796127706 /nfs/dbraw/zinc/12/77/06/796127706.db2.gz OXGNBCUSYPNLIJ-SFHVURJKSA-N 1 0 331.460 2.332 50 0 EEAARO C[C@H](C[N@@H+]1CCc2ccccc2C1)Nc1cncc(C(=O)N(C)C)n1 ZINC000952982764 796145817 /nfs/dbraw/zinc/14/58/17/796145817.db2.gz MONVBPYDMZZGBV-CQSZACIVSA-N 1 0 339.443 2.037 50 0 EEAARO CC[NH+]1CCN(Cc2nc(C3CC3)nn2Cc2ccc(F)cc2)CC1 ZINC000823116955 798695041 /nfs/dbraw/zinc/69/50/41/798695041.db2.gz CUMADPJUNQAZAV-UHFFFAOYSA-N 1 0 343.450 2.480 50 0 EEAARO C[C@@H](NC(=O)N1CCC[NH2+]CC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000825554406 800345200 /nfs/dbraw/zinc/34/52/00/800345200.db2.gz QJYBASGBECZEEQ-LLVKDONJSA-N 1 0 349.822 2.456 50 0 EEAARO CN(C)c1ncc(/C=C/C(=O)N2CCCC[C@H]2C[NH+]2CCCC2)cn1 ZINC000827939664 800547550 /nfs/dbraw/zinc/54/75/50/800547550.db2.gz RUGXWSIYPYGKFI-IJDCCNJMSA-N 1 0 343.475 2.033 50 0 EEAARO Cn1nc(C(=O)Nc2ccnn2C2CC[NH+](C)CC2)c2ccccc21 ZINC001506399993 1114596017 /nfs/dbraw/zinc/59/60/17/1114596017.db2.gz GNCFQZAMYTYCMQ-UHFFFAOYSA-N 1 0 338.415 2.289 50 0 EEAARO Cc1ccc(-c2ccc(=O)[nH]n2)cc1NC(=O)[C@H]1CCC[N@@H+](C)C1 ZINC001506403640 1114596869 /nfs/dbraw/zinc/59/68/69/1114596869.db2.gz QKEJDUITSQABHB-AWEZNQCLSA-N 1 0 326.400 2.438 50 0 EEAARO CCCOc1ccccc1C[N@H+]1C[C@@H](Cc2cnccn2)[C@H](O)C1 ZINC001529133212 1121333744 /nfs/dbraw/zinc/33/37/44/1121333744.db2.gz GIZWVHVOHDOWMI-SJLPKXTDSA-N 1 0 327.428 2.301 50 0 EEAARO CCOc1ccc(C[N@@H+]2C[C@H](O)[C@H](Cc3cc(C)no3)C2)cc1OC ZINC001529150866 1121341443 /nfs/dbraw/zinc/34/14/43/1121341443.db2.gz AVRQNIKUFWRIAX-WBVHZDCISA-N 1 0 346.427 2.426 50 0 EEAARO CCn1cc(C[N@H+]2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)cn1 ZINC001529197377 1121365785 /nfs/dbraw/zinc/36/57/85/1121365785.db2.gz PIYXPUODASTSKJ-YLJYHZDGSA-N 1 0 336.439 2.487 50 0 EEAARO CCn1ncc(C(=O)NCC[N@@H+]2CC[C@H](c3ccccc3)C2)c1C ZINC000097757837 219054977 /nfs/dbraw/zinc/05/49/77/219054977.db2.gz NKDKALVCTUOVAQ-KRWDZBQOSA-N 1 0 326.444 2.431 50 0 EEAARO CN1CCc2c3ccccc3n(C[C@@H](O)C[NH2+]C3CCCC3)c2C1=O ZINC000003999702 210097296 /nfs/dbraw/zinc/09/72/96/210097296.db2.gz UCPUYOMUIKVFJV-HNNXBMFYSA-N 1 0 341.455 2.163 50 0 biogenic EEAARO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1)c1ccc[nH]1 ZINC000067460215 215149949 /nfs/dbraw/zinc/14/99/49/215149949.db2.gz GSDHUTCOYGCZJF-ZDUSSCGKSA-N 1 0 339.399 2.193 50 0 EEAARO O=C(NC[C@H]1CC[N@H+](C/C=C/c2ccccc2)C1)c1ccc(=O)[nH]c1 ZINC000067472859 215150714 /nfs/dbraw/zinc/15/07/14/215150714.db2.gz CZZAMVAUZRTXLH-BBOMDTFKSA-N 1 0 337.423 2.140 50 0 EEAARO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](CNC(=O)c2cncc(C)c2)C1 ZINC000067643150 215172041 /nfs/dbraw/zinc/17/20/41/215172041.db2.gz KADGEHPWBQZWAC-INIZCTEOSA-N 1 0 341.459 2.372 50 0 EEAARO Cn1cnnc1Sc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000067774218 215209222 /nfs/dbraw/zinc/20/92/22/215209222.db2.gz MSWODAPGDPCTJV-MRXNPFEDSA-N 1 0 333.461 2.135 50 0 EEAARO O=C(NC[C@H]1CCC[N@H+](C/C=C/c2ccco2)C1)c1cncnc1 ZINC000067921576 215251913 /nfs/dbraw/zinc/25/19/13/215251913.db2.gz YPRKXQZSCQTZLB-FIMWJMCYSA-N 1 0 326.400 2.225 50 0 EEAARO COc1ccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c(OC)c1 ZINC000104464696 219388375 /nfs/dbraw/zinc/38/83/75/219388375.db2.gz OOPGBPBHURFAQW-QGZVFWFLSA-N 1 0 336.476 2.228 50 0 EEAARO CC(C)=CC[N@H+]1CCN(Cc2c(C)nn(C)c2Cl)C[C@H]1CCO ZINC000038149459 213203290 /nfs/dbraw/zinc/20/32/90/213203290.db2.gz BVFZKRVEJPLYPH-OAHLLOKOSA-N 1 0 340.899 2.217 50 0 EEAARO O=S(=O)(NC1CC[NH2+]CC1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000036285979 213082115 /nfs/dbraw/zinc/08/21/15/213082115.db2.gz SIDADTHNPBEOLR-UHFFFAOYSA-N 1 0 342.770 2.389 50 0 EEAARO COCC[N@@H+](Cc1ccccc1OC)C[C@H](O)COCc1ccco1 ZINC000036096179 213063606 /nfs/dbraw/zinc/06/36/06/213063606.db2.gz LVSURZMYASWVRH-KRWDZBQOSA-N 1 0 349.427 2.314 50 0 EEAARO CC(C)OC[C@@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000033537785 212954983 /nfs/dbraw/zinc/95/49/83/212954983.db2.gz DKAFBZZVFJWSEJ-AWEZNQCLSA-N 1 0 347.381 2.008 50 0 EEAARO CC(C)NC(=O)CC[N@@H+]1CCC[C@@H](Nc2ccc3c(c2)OCCO3)C1 ZINC000072146980 216034041 /nfs/dbraw/zinc/03/40/41/216034041.db2.gz JNHQPIATOFMEES-MRXNPFEDSA-N 1 0 347.459 2.249 50 0 EEAARO O=C(N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1)N1CCOCC1 ZINC000072156690 216045964 /nfs/dbraw/zinc/04/59/64/216045964.db2.gz ATFFRORFDFBTQB-IPMKNSEASA-N 1 0 341.455 2.001 50 0 EEAARO Cc1ccc2nc(C[N@H+]3CCC[C@@]4(CN(C)C(=O)O4)CC3)cn2c1 ZINC000072169950 216061300 /nfs/dbraw/zinc/06/13/00/216061300.db2.gz QEKKDOIWKPOGBQ-SFHVURJKSA-N 1 0 328.416 2.449 50 0 EEAARO c1ccc2c(c1)CN(c1ncnc3c1CCN([C@@H]1CCC[NH2+]C1)CC3)C2 ZINC000072426292 216216668 /nfs/dbraw/zinc/21/66/68/216216668.db2.gz IYKKHVPTXLMYBD-GOSISDBHSA-N 1 0 349.482 2.149 50 0 EEAARO Cc1nn(-c2ccccc2)nc1C(=O)NCC[NH+](C(C)C)C(C)C ZINC000027457072 212558430 /nfs/dbraw/zinc/55/84/30/212558430.db2.gz IOSKAZFJHCQHNM-UHFFFAOYSA-N 1 0 329.448 2.424 50 0 EEAARO CCC[NH+]1CCN(C(=O)[C@H](NC(=O)c2ccc(F)cc2)C(C)C)CC1 ZINC000023640538 212387440 /nfs/dbraw/zinc/38/74/40/212387440.db2.gz AHWOFDNFIWOGBE-QGZVFWFLSA-N 1 0 349.450 2.134 50 0 EEAARO CCOC[C@@H]1CCC[N@@H+]1Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000216305102 241180744 /nfs/dbraw/zinc/18/07/44/241180744.db2.gz SGHFYZZVMHBFQB-ZDUSSCGKSA-N 1 0 326.824 2.205 50 0 EEAARO COc1cccc(OCCSc2nnc(C3CC[NH2+]CC3)n2C)c1 ZINC000426647897 241319497 /nfs/dbraw/zinc/31/94/97/241319497.db2.gz IFEABOPQOUGERK-UHFFFAOYSA-N 1 0 348.472 2.462 50 0 EEAARO Cn1nccc1CCC(=O)NC[C@H](c1ccccc1F)[NH+]1CCCC1 ZINC000426411480 241279587 /nfs/dbraw/zinc/27/95/87/241279587.db2.gz OYSFBMCCHKSJDH-GOSISDBHSA-N 1 0 344.434 2.445 50 0 EEAARO CC[N@@H+]1C[C@H](NC(=O)CSc2cn(C)c3ccccc23)[C@@H](OC)C1 ZINC000426434855 241284279 /nfs/dbraw/zinc/28/42/79/241284279.db2.gz NWCNJUYUNRTARB-HOCLYGCPSA-N 1 0 347.484 2.106 50 0 EEAARO C[C@H]([NH3+])c1nnc(SCc2nncn2C)n1-c1cccc(Cl)c1 ZINC000426490243 241298104 /nfs/dbraw/zinc/29/81/04/241298104.db2.gz SFIATTOIIDRIBT-VIFPVBQESA-N 1 0 349.851 2.361 50 0 EEAARO CNC(=O)c1ccc(-c2ccc(C(=O)NCC[NH+]3CCCC3)cc2)o1 ZINC000426578832 241310619 /nfs/dbraw/zinc/31/06/19/241310619.db2.gz QWUAJKCVRDEENY-UHFFFAOYSA-N 1 0 341.411 2.132 50 0 EEAARO CCN(Cc1ccccc1)C(=O)Cn1nccc1[C@@H]1CCC[NH2+]C1 ZINC000426567184 241310739 /nfs/dbraw/zinc/31/07/39/241310739.db2.gz ZKROOFWPOGMTQC-QGZVFWFLSA-N 1 0 326.444 2.399 50 0 EEAARO CSc1ccc(CNC(=O)Cn2ccc([C@H]3CCC[NH2+]C3)n2)cc1 ZINC000426712538 241331017 /nfs/dbraw/zinc/33/10/17/241331017.db2.gz ADMNVPFMTBXJHH-HNNXBMFYSA-N 1 0 344.484 2.388 50 0 EEAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)NCc2nc3ccccc3n2C)C1 ZINC000426728332 241332736 /nfs/dbraw/zinc/33/27/36/241332736.db2.gz VZZVUOYLZHOWOA-AWEZNQCLSA-N 1 0 341.459 2.342 50 0 EEAARO CCC1=NO[C@@H](C[N@H+]2CCc3nnc(Cc4ccccc4)n3CC2)C1 ZINC000244828659 243087428 /nfs/dbraw/zinc/08/74/28/243087428.db2.gz UAGLJUXOEXDRLE-QGZVFWFLSA-N 1 0 339.443 2.282 50 0 EEAARO O=C(c1nc2ccccn2c1C[NH2+]CCc1ccco1)N1CCCC1 ZINC000020455347 212131527 /nfs/dbraw/zinc/13/15/27/212131527.db2.gz OPQKHGYTDGLDAK-UHFFFAOYSA-N 1 0 338.411 2.496 50 0 EEAARO CSCc1ccc(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)o1 ZINC000077320839 216870771 /nfs/dbraw/zinc/87/07/71/216870771.db2.gz PXLHAJXTKCABBA-QGZVFWFLSA-N 1 0 338.473 2.206 50 0 EEAARO COc1cccc(C(=O)N2CCC([NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000019868121 212077542 /nfs/dbraw/zinc/07/75/42/212077542.db2.gz BSTDIQARISFKFV-HUUCEWRRSA-N 1 0 332.444 2.409 50 0 EEAARO O=S(=O)(c1ccccc1)c1ccc(N2CCC[NH2+]CC2)c(F)c1 ZINC000019735974 212058609 /nfs/dbraw/zinc/05/86/09/212058609.db2.gz ZIOMGFOZWAEJIJ-UHFFFAOYSA-N 1 0 334.416 2.458 50 0 EEAARO C[C@@H](CN1CC[NH+](C)CC1)OC(=O)c1cccc(Br)c1 ZINC000019359351 212021736 /nfs/dbraw/zinc/02/17/36/212021736.db2.gz JJUVOGRZKOLPGK-LBPRGKRZSA-N 1 0 341.249 2.242 50 0 EEAARO C[NH+](C)CC[C@@H]1CN(C(=O)CCc2ccc(F)c(F)c2)CCO1 ZINC000015071242 211797594 /nfs/dbraw/zinc/79/75/94/211797594.db2.gz GPUXOJLTRVFESO-CQSZACIVSA-N 1 0 326.387 2.077 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C1 ZINC000091444742 218007422 /nfs/dbraw/zinc/00/74/22/218007422.db2.gz LIIIKHJRFKATLR-CYBMUJFWSA-N 1 0 340.427 2.481 50 0 EEAARO CCCCC(=O)N1CCN(c2ccc(Nc3cc[nH+]cc3)nn2)CC1 ZINC000011697908 211238835 /nfs/dbraw/zinc/23/88/35/211238835.db2.gz VTQKSMMNMKKQPW-UHFFFAOYSA-N 1 0 340.431 2.454 50 0 EEAARO C[C@@H](c1nccs1)n1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091645453 218038920 /nfs/dbraw/zinc/03/89/20/218038920.db2.gz RCJWFYJCQVAGGT-NSHDSACASA-N 1 0 329.433 2.132 50 0 EEAARO CNC(=O)c1cc2c(s1)CCN(C(=O)CC[C@@H]1CCC[N@H+](C)C1)C2 ZINC000091737623 218055592 /nfs/dbraw/zinc/05/55/92/218055592.db2.gz KNAODIMSWSTSRN-ZDUSSCGKSA-N 1 0 349.500 2.114 50 0 EEAARO Cn1cc(CC[NH+]2CCC3(CCC(=O)N(CC4CC4)C3)CC2)cn1 ZINC000091746689 218058144 /nfs/dbraw/zinc/05/81/44/218058144.db2.gz ANOGCEZOPVIHNU-UHFFFAOYSA-N 1 0 330.476 2.077 50 0 EEAARO NC(=O)NC(=O)CC[N@@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000011455299 211218347 /nfs/dbraw/zinc/21/83/47/211218347.db2.gz FPZKBORASQOEJW-CQSZACIVSA-N 1 0 335.454 2.342 50 0 EEAARO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(Cn3cccn3)cc2)C1 ZINC000091951615 218093343 /nfs/dbraw/zinc/09/33/43/218093343.db2.gz FSVDTCLDIYFOIO-VQTJNVASSA-N 1 0 338.455 2.374 50 0 EEAARO CCn1c(Cn2ccnc2C)nnc1C1CC[NH+](CCCOC)CC1 ZINC000092046237 218110995 /nfs/dbraw/zinc/11/09/95/218110995.db2.gz ZKJYDUDSISWCRY-UHFFFAOYSA-N 1 0 346.479 2.067 50 0 EEAARO O=C(C[NH+]1CCC(c2c[nH]c3ccccc32)CC1)NC(=O)NC1CC1 ZINC000010140686 211149852 /nfs/dbraw/zinc/14/98/52/211149852.db2.gz ZAOBBKKSURCFHV-UHFFFAOYSA-N 1 0 340.427 2.336 50 0 EEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCc1noc(-c2ccccc2)n1 ZINC000095356957 218290167 /nfs/dbraw/zinc/29/01/67/218290167.db2.gz CHKGSPGALBTFCI-OAHLLOKOSA-N 1 0 328.416 2.270 50 0 EEAARO CCc1c(C)[nH+]c(N)nc1NC[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000095372738 218305796 /nfs/dbraw/zinc/30/57/96/218305796.db2.gz LPYOJDOMNVUBLE-ZDUSSCGKSA-N 1 0 325.416 2.395 50 0 EEAARO Cc1nccn1Cc1nnc([C@@H]2CCC[N@H+](CC3CCC3)C2)n1C ZINC000095387378 218318816 /nfs/dbraw/zinc/31/88/16/218318816.db2.gz GZMLRTGXBMSVAV-MRXNPFEDSA-N 1 0 328.464 2.348 50 0 EEAARO CSc1nccc(N2CCC([NH2+]CCc3cccnc3)CC2)n1 ZINC000095384028 218316179 /nfs/dbraw/zinc/31/61/79/218316179.db2.gz JCYPXLJSRUQIBE-UHFFFAOYSA-N 1 0 329.473 2.395 50 0 EEAARO COCCCN(C(=O)c1nc(C)sc1C)C1CC[NH+](C)CC1 ZINC000097528843 219033004 /nfs/dbraw/zinc/03/30/04/219033004.db2.gz LYFJFRWEPQXAEO-UHFFFAOYSA-N 1 0 325.478 2.333 50 0 EEAARO CN(CC(=O)NCCc1cccc(Cl)c1Cl)C1CC[NH2+]CC1 ZINC000097568975 219035049 /nfs/dbraw/zinc/03/50/49/219035049.db2.gz VJZKDYGLTMNHFE-UHFFFAOYSA-N 1 0 344.286 2.336 50 0 EEAARO C[C@@H](CCC(=O)NCc1cccc(C(=O)N(C)C)c1)[NH+]1CCCC1 ZINC000299776575 258086704 /nfs/dbraw/zinc/08/67/04/258086704.db2.gz DFIGOTOBDYUZHU-HNNXBMFYSA-N 1 0 331.460 2.269 50 0 EEAARO O=C(NCCn1ccnn1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000299798162 258101557 /nfs/dbraw/zinc/10/15/57/258101557.db2.gz QXQKWMPPHYPRRT-UHFFFAOYSA-N 1 0 327.432 2.084 50 0 EEAARO CNC(=O)c1ccc(C[N@H+](Cc2ccc(C(N)=O)cc2)C2CC2)cc1 ZINC000025194234 258057485 /nfs/dbraw/zinc/05/74/85/258057485.db2.gz IKVAJGCPVFTJCG-UHFFFAOYSA-N 1 0 337.423 2.310 50 0 EEAARO CN1CC2(CCC1=O)CC[NH+](C[C@H]1COc3ccccc3O1)CC2 ZINC000092065134 273867465 /nfs/dbraw/zinc/86/74/65/273867465.db2.gz MVYCLIBCNFDKLX-HNNXBMFYSA-N 1 0 330.428 2.161 50 0 EEAARO CC(C)C[C@H]([NH3+])C(=O)N1CCC(c2cc(N3CCCC3)ncn2)CC1 ZINC000072474789 277487504 /nfs/dbraw/zinc/48/75/04/277487504.db2.gz GQFKXLPJOZDFMJ-INIZCTEOSA-N 1 0 345.491 2.156 50 0 EEAARO CC(C)Cn1c2ccccc2nc1CN1C[C@H]([NH+](C)C)C[C@H]1CO ZINC000065387239 277516519 /nfs/dbraw/zinc/51/65/19/277516519.db2.gz DITJJKTVMSWACL-CVEARBPZSA-N 1 0 330.476 2.189 50 0 EEAARO Cc1ccc(N2CCC[C@H](c3nccn3CCC[NH+](C)C)C2)nn1 ZINC000095387035 280875625 /nfs/dbraw/zinc/87/56/25/280875625.db2.gz PMKYNRUJZWIUML-INIZCTEOSA-N 1 0 328.464 2.317 50 0 EEAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)CN2CCOC2=O)cc1 ZINC000077518927 289224714 /nfs/dbraw/zinc/22/47/14/289224714.db2.gz MGHGWSVKBWNRFM-QGZVFWFLSA-N 1 0 345.443 2.254 50 0 EEAARO CN(C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1)C1CCOCC1 ZINC000534651808 468270701 /nfs/dbraw/zinc/27/07/01/468270701.db2.gz YOLVSNFAOJNHHW-UHFFFAOYSA-N 1 0 347.459 2.177 50 0 EEAARO Cc1c(C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)cnn1C ZINC000002764149 462602114 /nfs/dbraw/zinc/60/21/14/462602114.db2.gz RZMBYAPKXANEFJ-UHFFFAOYSA-N 1 0 342.487 2.311 50 0 EEAARO CCCc1cc(=O)oc2cc(OCC(=O)NCCC[NH+](C)C)ccc12 ZINC000006658839 462694695 /nfs/dbraw/zinc/69/46/95/462694695.db2.gz ZLAHOSCNYTXOTO-UHFFFAOYSA-N 1 0 346.427 2.192 50 0 EEAARO Cc1c(C)n(CC[NH+](C)C)c2ncn3nc(-c4cccnc4)nc3c12 ZINC000006719822 462699143 /nfs/dbraw/zinc/69/91/43/462699143.db2.gz UUWYNBUORVGPOZ-UHFFFAOYSA-N 1 0 335.415 2.319 50 0 EEAARO Cc1nc(N(C)C)cc(NCCNC(=O)c2ccc(Cl)cc2)[nH+]1 ZINC000065361960 462757167 /nfs/dbraw/zinc/75/71/67/462757167.db2.gz NOUISEYDJVIDEO-UHFFFAOYSA-N 1 0 333.823 2.346 50 0 EEAARO C[N@@H+]1CCC2(C1)CCN(C(=O)c1ccccc1-c1nc[nH]n1)CC2 ZINC000065396069 462763633 /nfs/dbraw/zinc/76/36/33/462763633.db2.gz LXJHQMXUFBQSFO-UHFFFAOYSA-N 1 0 325.416 2.030 50 0 EEAARO COc1ccccc1OC1CN(C(=O)CC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000065407125 462766896 /nfs/dbraw/zinc/76/68/96/462766896.db2.gz 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462928577 /nfs/dbraw/zinc/92/85/77/462928577.db2.gz MLQWWSWXUNYVGX-UHFFFAOYSA-N 1 0 345.443 2.332 50 0 EEAARO COC(=O)CC[C@H]1CN(Cc2ccccc2OC)CC[C@H]1[NH+](C)C ZINC000014995091 462938367 /nfs/dbraw/zinc/93/83/67/462938367.db2.gz DATJULCRYOWTMP-DOTOQJQBSA-N 1 0 334.460 2.401 50 0 EEAARO CCn1nc(C(C)C)cc1C(=O)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077503864 462996390 /nfs/dbraw/zinc/99/63/90/462996390.db2.gz UDZCVRRIWZVAFM-IBGZPJMESA-N 1 0 348.491 2.089 50 0 EEAARO CN1CC[NH+](C[C@H](O)COC(c2ccccc2)c2ccccc2)CC1 ZINC000022364348 463049321 /nfs/dbraw/zinc/04/93/21/463049321.db2.gz FIRBJIFKAYFWKS-FQEVSTJZSA-N 1 0 340.467 2.401 50 0 EEAARO Cc1nnc(CCNC(=O)C[N@@H+]2CCC[C@H](c3ccccc3)C2)s1 ZINC000095516601 463100810 /nfs/dbraw/zinc/10/08/10/463100810.db2.gz YOFQSSBWMWOWKU-INIZCTEOSA-N 1 0 344.484 2.385 50 0 EEAARO C[NH+](C)CC(C)(C)CNc1nc2c(c(=O)[nH]1)Cc1ccccc1OC2 ZINC000095527911 463105826 /nfs/dbraw/zinc/10/58/26/463105826.db2.gz ICJMTEKAOGJQML-UHFFFAOYSA-N 1 0 342.443 2.253 50 0 EEAARO 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C[NH+]1CCC(Cc2noc(-c3coc(CN4CCOCC4)c3)n2)CC1 ZINC000096139460 463185344 /nfs/dbraw/zinc/18/53/44/463185344.db2.gz PSDUCKOWELJBTD-UHFFFAOYSA-N 1 0 346.431 2.046 50 0 EEAARO O=C(CCCc1cn[nH]c1)NCC[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000096141098 463186461 /nfs/dbraw/zinc/18/64/61/463186461.db2.gz PCUWVQBNHFKOMQ-GOSISDBHSA-N 1 0 326.444 2.338 50 0 EEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)c2ccccc2OC(F)F)C1 ZINC000028017282 463214468 /nfs/dbraw/zinc/21/44/68/463214468.db2.gz MVXVDYMUEWXYDO-ZDUSSCGKSA-N 1 0 342.386 2.375 50 0 EEAARO O=C(Cc1csc(-c2ccccn2)n1)NC1CC[NH+](C2CC2)CC1 ZINC000029092484 463241895 /nfs/dbraw/zinc/24/18/95/463241895.db2.gz TWKZXUNWMBRUKJ-UHFFFAOYSA-N 1 0 342.468 2.491 50 0 EEAARO COc1cc2c(cc1CNC(=O)C[C@@H]1C[N@@H+](C(C)C)CCO1)CCC2 ZINC000097217332 463350110 /nfs/dbraw/zinc/35/01/10/463350110.db2.gz UOLJMGRJHIXBLT-GOSISDBHSA-N 1 0 346.471 2.299 50 0 EEAARO Cc1cnc2c(C(=O)NC[C@H](c3ccco3)[NH+]3CCCC3)cnn2c1 ZINC000097819625 463364615 /nfs/dbraw/zinc/36/46/15/463364615.db2.gz 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CCN(C(=O)CCn1cncn1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630797 276060831 /nfs/dbraw/zinc/06/08/31/276060831.db2.gz AJONUZIDKCYCTA-SJLPKXTDSA-N 1 0 341.459 2.352 50 0 EEAARO COC[C@H](C)[NH2+]Cc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071751486 277258507 /nfs/dbraw/zinc/25/85/07/277258507.db2.gz UKQPKNRJNWPPOR-LBPRGKRZSA-N 1 0 333.432 2.113 50 0 EEAARO COC(=O)CCCC[NH+]1CCC2(C[C@@H](c3ccccc3)C(=O)N2)CC1 ZINC000095511805 277315504 /nfs/dbraw/zinc/31/55/04/277315504.db2.gz MWNSWJDLXYFHBX-KRWDZBQOSA-N 1 0 344.455 2.468 50 0 EEAARO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C(=O)Nc2ccccc2Cl)C1 ZINC000122175019 323324945 /nfs/dbraw/zinc/32/49/45/323324945.db2.gz ZMMCFJZANGHAPP-IUODEOHRSA-N 1 0 335.835 2.221 50 0 EEAARO COc1cc([C@@H]2SCC(=O)N2CC[NH+]2CCCCC2)ccc1O ZINC000000182295 462545619 /nfs/dbraw/zinc/54/56/19/462545619.db2.gz IEKAIBOBLIUIAN-KRWDZBQOSA-N 1 0 336.457 2.461 50 0 EEAARO Cc1cccc(N2CC[NH+](CCC(=O)N[C@H]3CCSC3)CC2)c1 ZINC000074098610 462554601 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C[C@H]1C[C@H](C)C[NH+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000007590580 462740630 /nfs/dbraw/zinc/74/06/30/462740630.db2.gz LTEBUBXTUXLTKN-HOTGVXAUSA-N 1 0 331.460 2.440 50 0 EEAARO COc1cccc(NC(=O)NCCNc2nc(N(C)C)cc(C)[nH+]2)c1 ZINC000065364644 462758100 /nfs/dbraw/zinc/75/81/00/462758100.db2.gz XAMRNGHOMTUIME-UHFFFAOYSA-N 1 0 344.419 2.093 50 0 EEAARO CCc1cc(NCc2cn3ccccc3n2)nc(N2CCOCC2)[nH+]1 ZINC000065382961 462760611 /nfs/dbraw/zinc/76/06/11/462760611.db2.gz ZXUZIGMUXWWAED-UHFFFAOYSA-N 1 0 338.415 2.135 50 0 EEAARO CCc1cc(N2CC[C@@H](N(C)C(C)=O)C2)nc(N2CCCCC2)[nH+]1 ZINC000065387569 462762611 /nfs/dbraw/zinc/76/26/11/462762611.db2.gz FZNRSLRUJLGQII-MRXNPFEDSA-N 1 0 331.464 2.086 50 0 EEAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1ccc2c(c1)nnn2C ZINC000065396187 462763965 /nfs/dbraw/zinc/76/39/65/462763965.db2.gz UNWRYVSCLSILKB-UHFFFAOYSA-N 1 0 329.448 2.306 50 0 EEAARO CC(=O)N[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000008430283 462783464 /nfs/dbraw/zinc/78/34/64/462783464.db2.gz 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O=C(CC[NH+]1CCN(c2cnccn2)CC1)Nc1cccc(Cl)c1 ZINC000026170881 463153438 /nfs/dbraw/zinc/15/34/38/463153438.db2.gz SFJWEKKHMDGDDO-UHFFFAOYSA-N 1 0 345.834 2.281 50 0 EEAARO [NH3+]Cc1ccc(-c2nc(-c3ccc(F)c(F)c3)nn2CCO)cc1 ZINC000096138127 463185294 /nfs/dbraw/zinc/18/52/94/463185294.db2.gz ODFAUWXNWDDFIT-UHFFFAOYSA-N 1 0 330.338 2.341 50 0 EEAARO CC(C)(C)C(=O)NCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000027498568 463192890 /nfs/dbraw/zinc/19/28/90/463192890.db2.gz ZAKDKVPZKOGYNU-AWEZNQCLSA-N 1 0 335.448 2.085 50 0 EEAARO Cn1cc(C[NH2+]CCCN2CCCCCC2=O)c(-c2ccncc2)n1 ZINC000097159685 463337312 /nfs/dbraw/zinc/33/73/12/463337312.db2.gz WVQQBHYWSBVYCI-UHFFFAOYSA-N 1 0 341.459 2.364 50 0 EEAARO Cc1cccc(NC[C@H]2CCN(Cc3nnnn3-c3ccccc3)C2)[nH+]1 ZINC000097200890 463345687 /nfs/dbraw/zinc/34/56/87/463345687.db2.gz MMFWHQWYKRPTKD-MRXNPFEDSA-N 1 0 349.442 2.300 50 0 EEAARO COc1cc(/C=C2\SC(=O)N(CC[NH3+])C2=O)ccc1OC(F)F ZINC000032706029 463389476 /nfs/dbraw/zinc/38/94/76/463389476.db2.gz 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CCN1CCN(C(=O)CCC2CC[NH+]([C@H]3CCSC3)CC2)CC1 ZINC000023542131 681652280 /nfs/dbraw/zinc/65/22/80/681652280.db2.gz ZQXSWVKYQBZQBS-KRWDZBQOSA-N 1 0 339.549 2.148 50 0 EEAARO Cn1ccnc1CC[N@@H+]1CCCN(C(=O)c2cccc(Cl)c2)CC1 ZINC001772711793 1179303747 /nfs/dbraw/zinc/30/37/47/1179303747.db2.gz KGOGGZXBUDEAOT-UHFFFAOYSA-N 1 0 346.862 2.464 50 0 EEAARO O=C1CC[C@@]2(CCC[N@H+](CCc3ccccc3)C2)CN1CCCO ZINC000082091128 1188874360 /nfs/dbraw/zinc/87/43/60/1188874360.db2.gz HNVYELQXAIEKBS-HXUWFJFHSA-N 1 0 330.472 2.316 50 0 EEAARO C[N@@H+]1CCC[C@@H](CNC(=O)NCc2ccccc2-n2cccn2)C1 ZINC000108566839 1204928388 /nfs/dbraw/zinc/92/83/88/1204928388.db2.gz BUAMKTKXAYUGKM-HNNXBMFYSA-N 1 0 327.432 2.013 50 0 EEAARO Cc1ncc2c(c1-c1noc(COC[C@@H]3CCCCO3)n1)CC[NH2+]C2 ZINC000019146384 1229208547 /nfs/dbraw/zinc/20/85/47/1229208547.db2.gz DZYLVYSLGYVLRG-AWEZNQCLSA-N 1 0 344.415 2.171 50 0 EEAARO C[C@@H](Cc1cnccn1)Nc1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000067973951 1250221680 /nfs/dbraw/zinc/22/16/80/1250221680.db2.gz 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C[NH+](C)CCNC(=O)CCC(=O)c1ccc(Br)cc1 ZINC000003304990 210002412 /nfs/dbraw/zinc/00/24/12/210002412.db2.gz JVYRUFGEWMOZMD-UHFFFAOYSA-N 1 0 327.222 2.090 50 0 EEAARO CCc1ccc(Cn2cc(C3=CC[N@H+](CCC(N)=O)CC3)cn2)cc1 ZINC000067446834 215146713 /nfs/dbraw/zinc/14/67/13/215146713.db2.gz GVNWJAOMUAILBD-UHFFFAOYSA-N 1 0 338.455 2.458 50 0 EEAARO NC(=O)[C@H]1CCC[N@H+](Cc2cnc3c(-c4ccccc4)cnn3c2)C1 ZINC000067588469 215166431 /nfs/dbraw/zinc/16/64/31/215166431.db2.gz LLHUKDUFORKGOL-INIZCTEOSA-N 1 0 335.411 2.094 50 0 EEAARO Nc1ccc(C(=O)NC[C@@H]2CC[N@H+](C/C=C/c3ccccc3)C2)cn1 ZINC000067676281 215183366 /nfs/dbraw/zinc/18/33/66/215183366.db2.gz KSNJZQQKUQKXMG-PFWMLDTASA-N 1 0 336.439 2.429 50 0 EEAARO CCOc1ccc2[nH]c(=O)c(CN3CC[N@@H+]4CCC[C@@H]4C3)cc2c1 ZINC000067714673 215193672 /nfs/dbraw/zinc/19/36/72/215193672.db2.gz AEZGZSSEZJSNKE-MRXNPFEDSA-N 1 0 327.428 2.207 50 0 EEAARO CC(C)C[N@@H+]1CCC[C@@H](CNC(=O)Cc2cnc3ccccn23)C1 ZINC000067803245 215215383 /nfs/dbraw/zinc/21/53/83/215215383.db2.gz 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O=C([C@@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC(c2nnc[nH]2)CC1 ZINC000095525247 463103339 /nfs/dbraw/zinc/10/33/39/463103339.db2.gz FMBANSGEZNVJFR-OAHLLOKOSA-N 1 0 343.431 2.016 50 0 EEAARO Cn1nccc1CCNC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000096149950 463187180 /nfs/dbraw/zinc/18/71/80/463187180.db2.gz XNZNFTGUVXXTCH-UHFFFAOYSA-N 1 0 341.459 2.423 50 0 EEAARO CC[C@@H]([NH2+]Cc1ccc2c(c1)OCCO2)C(=O)Nc1cc(C)on1 ZINC000028622263 463228568 /nfs/dbraw/zinc/22/85/68/463228568.db2.gz OIYBJPAFAGURGV-CYBMUJFWSA-N 1 0 331.372 2.261 50 0 EEAARO Cc1cc[nH+]c(NC[C@H]2CCN(c3nc(C)nc4c3cnn4C)C2)c1 ZINC000097200992 463345162 /nfs/dbraw/zinc/34/51/62/463345162.db2.gz ASPQVYDOVSMLGX-CQSZACIVSA-N 1 0 337.431 2.314 50 0 EEAARO COCCCNC(=O)c1ccc(SCC[NH+]2CCCCC2)nc1 ZINC000033115228 463413107 /nfs/dbraw/zinc/41/31/07/463413107.db2.gz XARCULCVDDGJDN-UHFFFAOYSA-N 1 0 337.489 2.426 50 0 EEAARO O=C(NCCCc1ccccn1)c1ccc(NC[C@@H]2CCC[NH2+]2)nc1 ZINC000071738684 463419753 /nfs/dbraw/zinc/41/97/53/463419753.db2.gz 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O=C(NC1CC1)[C@H]1[C@@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)C[C@@H]21 ZINC000102644428 219218622 /nfs/dbraw/zinc/21/86/22/219218622.db2.gz XUQNYIPPWRDGGQ-VIKVFOODSA-N 1 0 328.441 2.095 50 0 EEAARO C[N@@H+]1CC[C@@](C)(CNC(=O)c2cc(COc3ccccc3F)n[nH]2)C1 ZINC000067677712 215182132 /nfs/dbraw/zinc/18/21/32/215182132.db2.gz MUDDPUFKIBGDGT-SFHVURJKSA-N 1 0 346.406 2.199 50 0 EEAARO Cc1cc(=O)c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c[nH]1 ZINC000067740313 215198744 /nfs/dbraw/zinc/19/87/44/215198744.db2.gz RUKWCBPBQNHSBK-UHFFFAOYSA-N 1 0 325.412 2.209 50 0 EEAARO COCC[N@@H+](Cc1cc2ccc(F)cc2[nH]c1=O)C[C@@H]1CCCO1 ZINC000067818107 215219880 /nfs/dbraw/zinc/21/98/80/215219880.db2.gz YLMHAXJSCZGEHN-INIZCTEOSA-N 1 0 334.391 2.295 50 0 EEAARO CC(C)[C@@H]([NH3+])C(=O)N1CCC(n2nccc2NC(=O)C(C)(C)C)CC1 ZINC000067966630 215261869 /nfs/dbraw/zinc/26/18/69/215261869.db2.gz DRBHVGYVSZVWHC-OAHLLOKOSA-N 1 0 349.479 2.015 50 0 EEAARO CCC[NH+]1CCN(C(=O)CN2c3ccc(C)cc3C(C)(C)C2=O)CC1 ZINC000035558981 213037282 /nfs/dbraw/zinc/03/72/82/213037282.db2.gz AJKJHNZOSDXMFL-UHFFFAOYSA-N 1 0 343.471 2.173 50 0 EEAARO Cc1nn(C)cc1C(=O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072131877 216020468 /nfs/dbraw/zinc/02/04/68/216020468.db2.gz ALVFPVIQLMWOKO-SFHVURJKSA-N 1 0 338.455 2.044 50 0 EEAARO CCCc1cc(NCC[C@H](C)[NH+]2CCN(C)CC2)n2nccc2n1 ZINC000072143274 216028783 /nfs/dbraw/zinc/02/87/83/216028783.db2.gz KCRYKELFTKUZMI-HNNXBMFYSA-N 1 0 330.480 2.120 50 0 EEAARO C[C@H](CNc1nc(-c2ccncc2)nc2c1cnn2C)[NH+]1CCCC1 ZINC000072168747 216059961 /nfs/dbraw/zinc/05/99/61/216059961.db2.gz YSBOXMHZDACLJJ-CYBMUJFWSA-N 1 0 337.431 2.322 50 0 EEAARO OCC[C@@H]1CN(c2ncnc3[nH]ccc32)CC[N@@H+]1Cc1ccsc1 ZINC000072412099 216203463 /nfs/dbraw/zinc/20/34/63/216203463.db2.gz ZJRYMQFWEKNFDK-CQSZACIVSA-N 1 0 343.456 2.093 50 0 EEAARO CCc1cc(NC[C@@H]2CC[N@H+](CCOC)C2)n2nc(C)c(C)c2n1 ZINC000072433583 216228204 /nfs/dbraw/zinc/22/82/04/216228204.db2.gz DWUZFVLGXGLEBS-HNNXBMFYSA-N 1 0 331.464 2.289 50 0 EEAARO CC(C)[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)C[C@@H]1CCO ZINC000022852973 212328622 /nfs/dbraw/zinc/32/86/22/212328622.db2.gz MFYXGUQOPNOBIL-IBGZPJMESA-N 1 0 328.460 2.149 50 0 EEAARO C[NH+]1CCC(N(Cc2cnn3cccnc23)Cc2ccncc2)CC1 ZINC000216109198 241162105 /nfs/dbraw/zinc/16/21/05/241162105.db2.gz KDKDKTMNSNXDSG-UHFFFAOYSA-N 1 0 336.443 2.221 50 0 EEAARO COCCN(Cc1ccccc1F)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000426369883 241268777 /nfs/dbraw/zinc/26/87/77/241268777.db2.gz GLCMUOWKSYZXMA-INIZCTEOSA-N 1 0 337.439 2.468 50 0 EEAARO C[NH+](C)[C@H]1CCN(C(=O)c2cccc(-c3ccccc3C(N)=O)c2)C1 ZINC000426691331 241328747 /nfs/dbraw/zinc/32/87/47/241328747.db2.gz SYBSGHXSVNITAF-INIZCTEOSA-N 1 0 337.423 2.229 50 0 EEAARO COc1cccc(C(=O)N(C)[C@H](C)c2ccncn2)c1OCCC[NH3+] ZINC000426435319 241283585 /nfs/dbraw/zinc/28/35/85/241283585.db2.gz GPFKSTVUSQXFMV-CYBMUJFWSA-N 1 0 344.415 2.046 50 0 EEAARO CCn1ccc(CSc2nnc(C[NH3+])n2Cc2ccccc2)n1 ZINC000426472985 241293952 /nfs/dbraw/zinc/29/39/52/241293952.db2.gz SMAYNHSJQCCFJA-UHFFFAOYSA-N 1 0 328.445 2.294 50 0 EEAARO C[C@H](C(=O)NC1CCCC1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000022015106 212269827 /nfs/dbraw/zinc/26/98/27/212269827.db2.gz TWIYZUVKRQDDJQ-QGZVFWFLSA-N 1 0 329.488 2.294 50 0 EEAARO O[C@H]1C[C@@H](c2cc(NC3CC[NH+](C4CCSCC4)CC3)ncn2)C1 ZINC000244718682 243065322 /nfs/dbraw/zinc/06/53/22/243065322.db2.gz LOWVOLTWDPEWJU-AKAXFMLLSA-N 1 0 348.516 2.487 50 0 EEAARO O=C(CC[N@@H+]1CCCC[C@@H]1CCN1CCCC1=O)Nc1cccnc1 ZINC000244718698 243067154 /nfs/dbraw/zinc/06/71/54/243067154.db2.gz LPGZJQVACMRRNF-QGZVFWFLSA-N 1 0 344.459 2.277 50 0 EEAARO COc1ccccc1[C@H]1CCC[N@@H+]1CCCS(=O)(=O)N(C)C ZINC000244764088 243077249 /nfs/dbraw/zinc/07/72/49/243077249.db2.gz PBEVRQOASLICAT-OAHLLOKOSA-N 1 0 326.462 2.114 50 0 EEAARO CC(C)N1C(=O)N(C)C2(CC[NH+](CCc3ccccc3)CC2)C1=O ZINC000020256224 212114640 /nfs/dbraw/zinc/11/46/40/212114640.db2.gz FGVJNSWNKKLLGE-UHFFFAOYSA-N 1 0 329.444 2.366 50 0 EEAARO CC(C)c1nc(C(=O)N2CCC[C@](O)(C[NH+]3CCCC3)C2)cs1 ZINC000077436377 216903647 /nfs/dbraw/zinc/90/36/47/216903647.db2.gz RGJWCQHUUBBZCB-KRWDZBQOSA-N 1 0 337.489 2.329 50 0 EEAARO COc1cccc(CN2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1OC ZINC000019852737 212076468 /nfs/dbraw/zinc/07/64/68/212076468.db2.gz CITWBVVCAZCEFE-IRXDYDNUSA-N 1 0 334.460 2.125 50 0 EEAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1cc2sccc2[nH]1 ZINC000219867920 284265682 /nfs/dbraw/zinc/26/56/82/284265682.db2.gz YSSCPEVZHPNCIA-CXOGBFNASA-N 1 0 331.441 2.211 50 0 EEAARO Cc1cc(Cl)ccc1OCC(=O)N1CCO[C@@H](CC[NH+](C)C)C1 ZINC000012474998 211391622 /nfs/dbraw/zinc/39/16/22/211391622.db2.gz LMKZWJALBAAJEG-HNNXBMFYSA-N 1 0 340.851 2.206 50 0 EEAARO [NH3+][C@H]1CN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C[C@@H]1C1CC1 ZINC000091255207 217987412 /nfs/dbraw/zinc/98/74/12/217987412.db2.gz HTTCXBSULLIWLF-OLZOCXBDSA-N 1 0 334.363 2.063 50 0 EEAARO COCCn1ccnc1[C@H]1CCC[N@H+](CCC(=O)NC(C)(C)C)C1 ZINC000091586298 218025965 /nfs/dbraw/zinc/02/59/65/218025965.db2.gz QXYQQGRJKCBMIK-HNNXBMFYSA-N 1 0 336.480 2.014 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)CCNC(=O)c2ccc(F)cc2)C1 ZINC000091737191 218056380 /nfs/dbraw/zinc/05/63/80/218056380.db2.gz VYXLWDQGEDVJEH-CQSZACIVSA-N 1 0 347.434 2.031 50 0 EEAARO COc1cccc(CN2CCC[C@](O)(C[NH2+]C3CCCCC3)C2=O)c1 ZINC000011662001 211229307 /nfs/dbraw/zinc/22/93/07/211229307.db2.gz IBOGCCDPBSPNPY-FQEVSTJZSA-N 1 0 346.471 2.471 50 0 EEAARO COC(=O)c1ccc2c(c1)nc(N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1)n2C ZINC000091849106 218077380 /nfs/dbraw/zinc/07/73/80/218077380.db2.gz FGIPFDPLJKHOHZ-WMLDXEAASA-N 1 0 344.459 2.382 50 0 EEAARO Cc1ccc(-c2ncc(C(=O)N3CCC[C@H](CC[NH3+])C3)c(=O)[nH]2)cc1 ZINC000092038890 218109937 /nfs/dbraw/zinc/10/99/37/218109937.db2.gz MRHWNWHOPBSKPP-CQSZACIVSA-N 1 0 340.427 2.359 50 0 EEAARO CCC[NH+]1CCC(CC(=O)N[C@H](C)[C@@H](O)c2ccc(O)cc2)CC1 ZINC000095366596 218298743 /nfs/dbraw/zinc/29/87/43/218298743.db2.gz LIAUAMHAQMUKNC-AUUYWEPGSA-N 1 0 334.460 2.442 50 0 EEAARO Cc1noc(C)c1CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000095384892 218317407 /nfs/dbraw/zinc/31/74/07/218317407.db2.gz JUIDMCGGIOLCOZ-HNNXBMFYSA-N 1 0 335.448 2.141 50 0 EEAARO CC[NH+](CC)CCNC(=O)N[C@@H]1CC(=O)N(c2ccc(C)c(C)c2)C1 ZINC000005187774 210409573 /nfs/dbraw/zinc/40/95/73/210409573.db2.gz IFRUMMCUKWCGMM-MRXNPFEDSA-N 1 0 346.475 2.050 50 0 EEAARO COc1ccc(COC[C@H](O)C[NH2+]C2Cc3ccccc3C2)cc1 ZINC000000119008 258047639 /nfs/dbraw/zinc/04/76/39/258047639.db2.gz WITROFSVMWRSFR-LJQANCHMSA-N 1 0 327.424 2.330 50 0 EEAARO Cc1cc2oc(=O)cc(C)c2cc1NC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000299794109 258099118 /nfs/dbraw/zinc/09/91/18/258099118.db2.gz IDTHDNMYXPZTDM-SWLSCSKDSA-N 1 0 327.384 2.235 50 0 EEAARO Cc1ccn(-c2ccnc(N3CCC([NH+]4CCCCC4)CC3)n2)n1 ZINC000057508350 132200854 /nfs/dbraw/zinc/20/08/54/132200854.db2.gz SFVCIYWDMUQERA-UHFFFAOYSA-N 1 0 326.448 2.425 50 0 EEAARO COCCC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072474653 292353755 /nfs/dbraw/zinc/35/37/55/292353755.db2.gz GMIOEUIKLLIVQL-IBGZPJMESA-N 1 0 331.460 2.323 50 0 EEAARO Cc1ccc2cc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCCC3)n(C)c2c1 ZINC000426434164 292384523 /nfs/dbraw/zinc/38/45/23/292384523.db2.gz VLGWYUVAPKUAQM-LPHOPBHVSA-N 1 0 341.455 2.470 50 0 EEAARO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000122092408 222013312 /nfs/dbraw/zinc/01/33/12/222013312.db2.gz VMOJPIRIJFQPIO-YOEHRIQHSA-N 1 0 329.444 2.151 50 0 EEAARO CC[NH+](CC)CC(=O)N1CCCc2c3cc(O)ccc3oc(=O)c21 ZINC000000199161 276322027 /nfs/dbraw/zinc/32/20/27/276322027.db2.gz PUGTXARHNDIBGU-UHFFFAOYSA-N 1 0 330.384 2.120 50 0 biogenic EEAARO COc1ccc(C[C@@H](C)[NH2+]C[C@@H](O)c2ccc(O)c(NC=O)c2)cc1 ZINC000000897258 295137515 /nfs/dbraw/zinc/13/75/15/295137515.db2.gz BPZSYCZIITTYBL-BFUOFWGJSA-N 1 0 344.411 2.223 50 0 fda EEAARO O=C1C[C@@H]([NH2+]C[C@H](O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000000032906 462539907 /nfs/dbraw/zinc/53/99/07/462539907.db2.gz BBRLJLXEHHYMHB-CVEARBPZSA-N 1 0 344.798 2.295 50 0 EEAARO CCC[NH2+]Cc1cc(OCC)c(OCC(N)=O)cc1Br ZINC000002888457 462606493 /nfs/dbraw/zinc/60/64/93/462606493.db2.gz FICQYVYNUFPHAU-UHFFFAOYSA-N 1 0 345.237 2.212 50 0 EEAARO O=C(NCC1(Cn2ccnc2)CC1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000063857522 462678541 /nfs/dbraw/zinc/67/85/41/462678541.db2.gz GSMNBFFUCXUXQY-INIZCTEOSA-N 1 0 342.443 2.285 50 0 EEAARO CC(C)CNC(=O)NC(=O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000007788083 462750887 /nfs/dbraw/zinc/75/08/87/462750887.db2.gz ARBTXIQBFHDXSS-UHFFFAOYSA-N 1 0 331.460 2.423 50 0 EEAARO Cc1ccc(C(=O)NCCNc2cc(N(C)C)nc(C)[nH+]2)c(C)c1 ZINC000065364573 462758182 /nfs/dbraw/zinc/75/81/82/462758182.db2.gz IMWJZYKZIOMNIB-UHFFFAOYSA-N 1 0 327.432 2.310 50 0 EEAARO NC(=O)CC[N@H+]1CC=C(c2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000065375886 462759319 /nfs/dbraw/zinc/75/93/19/462759319.db2.gz NIMMMNPVHOSMDU-UHFFFAOYSA-N 1 0 328.391 2.035 50 0 EEAARO Cc1[nH+]c(N(C)C)nc(N2CCC(O)(c3ccccn3)CC2)c1C ZINC000065493642 462780728 /nfs/dbraw/zinc/78/07/28/462780728.db2.gz VBOMIXNOJLNRFI-UHFFFAOYSA-N 1 0 327.432 2.042 50 0 EEAARO COc1cc(C[NH2+][C@H]2CCS(=O)(=O)C2)ccc1OCC(C)C ZINC000008428714 462783497 /nfs/dbraw/zinc/78/34/97/462783497.db2.gz PUFVUTYCAUHBSI-AWEZNQCLSA-N 1 0 327.446 2.007 50 0 EEAARO CCOC(=O)C=C1CC(=O)N=C(NC(=[NH2+])Nc2cccc(Cl)c2)N1 ZINC000008572893 462789381 /nfs/dbraw/zinc/78/93/81/462789381.db2.gz MXANTEMDEXDIQB-UHFFFAOYSA-N 1 0 349.778 2.400 50 0 EEAARO CCOC(=O)CCN1C(=O)CC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC000011783384 462839729 /nfs/dbraw/zinc/83/97/29/462839729.db2.gz PKMVKYRXKPHIRD-INIZCTEOSA-N 1 0 336.407 2.250 50 0 EEAARO Cc1ccn(CC(=O)N2CCC[C@@H]([N@H+](C)Cc3ccccc3)C2)n1 ZINC000012575118 462858339 /nfs/dbraw/zinc/85/83/39/462858339.db2.gz GBNZDJDSBJIMCM-GOSISDBHSA-N 1 0 326.444 2.315 50 0 EEAARO Cc1ccc(C(=O)NCC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)s1 ZINC000014247745 462922214 /nfs/dbraw/zinc/92/22/14/462922214.db2.gz OUXNJNALWDABFV-HNNXBMFYSA-N 1 0 345.468 2.205 50 0 EEAARO Cn1ncc(N2CCO[C@@H](CC[NH2+]C3CCCCCCC3)C2)cc1=O ZINC000077323351 462969409 /nfs/dbraw/zinc/96/94/09/462969409.db2.gz 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OOOPZQTVVDIVOW-UHFFFAOYSA-N 1 0 335.477 2.359 50 0 EEAARO CCCc1nnc(N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)s1 ZINC000091424878 218003051 /nfs/dbraw/zinc/00/30/51/218003051.db2.gz LGTZLXHGCPGOKH-HUUCEWRRSA-N 1 0 338.521 2.411 50 0 EEAARO O=C(NCCC12CCC[NH+]1CCC2)[C@H]1CC(=O)Nc2ccc(F)cc21 ZINC000091635784 218036922 /nfs/dbraw/zinc/03/69/22/218036922.db2.gz ZQYJEAAFSOJYOH-HNNXBMFYSA-N 1 0 345.418 2.386 50 0 EEAARO CNC(=O)c1cc2c(s1)CCN(C(=O)CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000091935035 218091793 /nfs/dbraw/zinc/09/17/93/218091793.db2.gz KJDLLPURLIPCBA-AWEZNQCLSA-N 1 0 349.500 2.257 50 0 EEAARO [NH3+][C@H]1CN(S(=O)(=O)c2cc(Cl)c(Cl)s2)C[C@@H]1C1CC1 ZINC000091997792 218101260 /nfs/dbraw/zinc/10/12/60/218101260.db2.gz RWDSVDPWQSWTIP-APPZFPTMSA-N 1 0 341.285 2.413 50 0 EEAARO CCc1nc(C)sc1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CCOC ZINC000092022727 218106288 /nfs/dbraw/zinc/10/62/88/218106288.db2.gz ZINMPUSLQRCYHN-UONOGXRCSA-N 1 0 337.489 2.083 50 0 EEAARO C[N@@H+]1CCC[C@H](CCC(=O)N2CCCN(Cc3ccccn3)CC2)C1 ZINC000095358838 218292066 /nfs/dbraw/zinc/29/20/66/218292066.db2.gz OWQUVHQKSPQMGE-GOSISDBHSA-N 1 0 344.503 2.238 50 0 EEAARO C[NH+](C)CCn1ccnc1[C@@H]1CCCN(C(=O)c2ccc(O)cc2)C1 ZINC000095362963 218294958 /nfs/dbraw/zinc/29/49/58/218294958.db2.gz HSDJQXYUSXTNNH-MRXNPFEDSA-N 1 0 342.443 2.170 50 0 EEAARO Cc1cc(C(=O)N2CCC(c3nccn3CCC[NH+](C)C)CC2)no1 ZINC000095385195 218316755 /nfs/dbraw/zinc/31/67/55/218316755.db2.gz MXTGMSJLTFYIDM-UHFFFAOYSA-N 1 0 345.447 2.151 50 0 EEAARO Cc1[nH]ccc1C(=O)N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095391873 218324322 /nfs/dbraw/zinc/32/43/22/218324322.db2.gz ACJOOJWHNDLQLX-INIZCTEOSA-N 1 0 343.475 2.491 50 0 EEAARO CC[NH+]1CCC(NC(=O)COc2ccc(Br)cc2)CC1 ZINC000007964226 210870376 /nfs/dbraw/zinc/87/03/76/210870376.db2.gz WECHTDCEGOCULU-UHFFFAOYSA-N 1 0 341.249 2.428 50 0 EEAARO CC1(C)CC(CC(=O)N[C@@H](CO)[C@@H](O)c2ccccc2)CC(C)(C)[NH2+]1 ZINC000097301380 219010585 /nfs/dbraw/zinc/01/05/85/219010585.db2.gz KAJDKAYANVCFMX-WMZOPIPTSA-N 1 0 348.487 2.144 50 0 EEAARO CSCC[NH+]1CCC(NC(=O)[C@H](C)n2cc(Cl)cn2)CC1 ZINC000299774873 258085509 /nfs/dbraw/zinc/08/55/09/258085509.db2.gz IZRFNIILJVOJAH-NSHDSACASA-N 1 0 330.885 2.041 50 0 EEAARO COc1ccccc1NC(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000299792654 258098215 /nfs/dbraw/zinc/09/82/15/258098215.db2.gz FPQDWJNDNXYCDL-HNNXBMFYSA-N 1 0 333.432 2.460 50 0 EEAARO CO[C@]12CC[N@H+](Cc3nc4ccccc4nc3C)[C@H]1C[C@@H](O)CC2 ZINC000299798491 258102207 /nfs/dbraw/zinc/10/22/07/258102207.db2.gz SPKUHVZEJSKKNY-ZOCIIQOWSA-N 1 0 327.428 2.443 50 0 EEAARO CC[NH+](CC)CCCNC(=O)[C@@H]1CC(=O)N(c2ccc(F)cc2)C1 ZINC000004936766 258051330 /nfs/dbraw/zinc/05/13/30/258051330.db2.gz YGMSZYARPFWMLX-CQSZACIVSA-N 1 0 335.423 2.027 50 0 EEAARO C[NH+](C)[C@H]1CCCN(C(=O)NCCCc2nc3ccccc3[nH]2)C1 ZINC000120566858 221614744 /nfs/dbraw/zinc/61/47/44/221614744.db2.gz RGYOBBBGUIDWGN-AWEZNQCLSA-N 1 0 329.448 2.231 50 0 EEAARO COc1ccc2c(C[NH+]3CCC4(CC3)OCCO4)cc(=O)oc2c1 ZINC000054105959 277941745 /nfs/dbraw/zinc/94/17/45/277941745.db2.gz LRLCYLNEZWAMAM-UHFFFAOYSA-N 1 0 331.368 2.141 50 0 biogenic EEAARO COc1ccccc1CC(=O)N1CCC[C@@H]1C[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000106152785 278047732 /nfs/dbraw/zinc/04/77/32/278047732.db2.gz SQKYCNOZZRQWPP-SOLBZPMBSA-N 1 0 346.471 2.338 50 0 EEAARO C[C@@H]1CCc2sc3nc(NCC[NH+](C)C)n4ncnc4c3c2C1 ZINC000002404960 278627315 /nfs/dbraw/zinc/62/73/15/278627315.db2.gz CUKNRJCBMYXVSO-SNVBAGLBSA-N 1 0 330.461 2.437 50 0 EEAARO COC(=O)c1cc2oc(C)c(C)c2n1C[C@@H](O)C[NH+]1CCCCC1 ZINC000002531959 462595093 /nfs/dbraw/zinc/59/50/93/462595093.db2.gz KCINXENLQWYTOY-AWEZNQCLSA-N 1 0 334.416 2.485 50 0 EEAARO C[NH+]1CCN(c2ccccc2NC(=O)COc2ccccc2)CC1 ZINC000004758731 462637222 /nfs/dbraw/zinc/63/72/22/462637222.db2.gz QMFWDMLLMPKCMI-UHFFFAOYSA-N 1 0 325.412 2.456 50 0 EEAARO CC(=O)Nc1ccc(N2C(=O)C[C@H]([NH2+]C3CCC(C)CC3)C2=O)cc1 ZINC000005950616 462672757 /nfs/dbraw/zinc/67/27/57/462672757.db2.gz YHJXLDNJXNDONH-QOJXUVEWSA-N 1 0 343.427 2.445 50 0 EEAARO CNCC[NH2+]C1CCN(c2cccc(-c3ccnc(C)n3)c2)CC1 ZINC000063882412 462680851 /nfs/dbraw/zinc/68/08/51/462680851.db2.gz AZRIRIBBYOWMJR-UHFFFAOYSA-N 1 0 325.460 2.230 50 0 EEAARO CCNc1cc(C)[nH+]c(NCCNC(=O)c2c(F)cccc2F)n1 ZINC000065363957 462758274 /nfs/dbraw/zinc/75/82/74/462758274.db2.gz XMUGCKAZGAUHQA-UHFFFAOYSA-N 1 0 335.358 2.337 50 0 EEAARO COc1cc(C[N@H+]2CC=C(c3cnn(CCO)c3)CC2)cc(OC)c1 ZINC000065373717 462760273 /nfs/dbraw/zinc/76/02/73/462760273.db2.gz BXMYQWSNBADFMK-UHFFFAOYSA-N 1 0 343.427 2.182 50 0 EEAARO Cc1cc(N2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)nc(-c2ccccc2)n1 ZINC000065461909 462774736 /nfs/dbraw/zinc/77/47/36/462774736.db2.gz HLTSSDFGDYITEW-ROUUACIJSA-N 1 0 338.455 2.487 50 0 EEAARO CCOC(=O)N1CCC([NH2+]CCn2nc(C)c(Cl)c2C)CC1 ZINC000065505751 462783169 /nfs/dbraw/zinc/78/31/69/462783169.db2.gz LOYNWNPFZRUGDK-UHFFFAOYSA-N 1 0 328.844 2.364 50 0 EEAARO Cn1c(SCC[NH2+]CCO)nnc1-c1ccc(C(C)(C)C)cc1 ZINC000008428523 462783640 /nfs/dbraw/zinc/78/36/40/462783640.db2.gz QZTOODPLXDZIMY-UHFFFAOYSA-N 1 0 334.489 2.454 50 0 EEAARO COc1ccnc(C[N@@H+]2C[C@H](NC(=O)C3CCC3)[C@@H](C3CC3)C2)c1 ZINC000091381118 462876775 /nfs/dbraw/zinc/87/67/75/462876775.db2.gz URHDCAFSURFLBG-MSOLQXFVSA-N 1 0 329.444 2.217 50 0 EEAARO CN1CCN(C(=O)CC[C@@H]2CCC[N@@H+](C3CCSCC3)C2)CC1 ZINC000014974395 462937268 /nfs/dbraw/zinc/93/72/68/462937268.db2.gz BNHPCSLCFTZJHN-INIZCTEOSA-N 1 0 339.549 2.148 50 0 EEAARO Cc1ccc(CN(C)C(=O)[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)o1 ZINC000015068117 462939466 /nfs/dbraw/zinc/93/94/66/462939466.db2.gz YGPURHZVCOHMEO-INIZCTEOSA-N 1 0 333.476 2.353 50 0 EEAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3cccc(C)c3)c(C)n2)CC1 ZINC000015778166 462962201 /nfs/dbraw/zinc/96/22/01/462962201.db2.gz OYRQLYZUIUPORZ-UHFFFAOYSA-N 1 0 339.443 2.488 50 0 EEAARO CCOC(=O)c1coc(N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)n1 ZINC000077288044 462963138 /nfs/dbraw/zinc/96/31/38/462963138.db2.gz PGLIQRIRPZHVDY-HNNXBMFYSA-N 1 0 329.400 2.344 50 0 EEAARO Cc1ncsc1CCn1cnc2sc3c(c2c1=O)CC[NH2+]C3 ZINC000077300322 462965362 /nfs/dbraw/zinc/96/53/62/462965362.db2.gz WWQFYLGEXUPRES-UHFFFAOYSA-N 1 0 332.454 2.111 50 0 EEAARO Cn1cc(SCC(=O)N2C[C@@H]3CC[N@H+](C)[C@@H]3C2)c2ccccc21 ZINC000077439259 462984381 /nfs/dbraw/zinc/98/43/81/462984381.db2.gz WEPCJOHJXYNDPX-XJKSGUPXSA-N 1 0 329.469 2.433 50 0 EEAARO Cc1cccc(OC2CCN(C(=O)C[C@@H](C)[NH+]3CCOCC3)CC2)c1 ZINC000077490029 462994613 /nfs/dbraw/zinc/99/46/13/462994613.db2.gz DKQKITDPSLPYBZ-QGZVFWFLSA-N 1 0 346.471 2.476 50 0 EEAARO O[C@H](COCc1ccccc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000019607342 463019885 /nfs/dbraw/zinc/01/98/85/463019885.db2.gz NHBVVFWBZKXRFM-FQEVSTJZSA-N 1 0 326.440 2.386 50 0 EEAARO CN(C)c1nc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)cs1 ZINC000095502346 463095853 /nfs/dbraw/zinc/09/58/53/463095853.db2.gz NUCJVTMYJLWHLJ-ZDUSSCGKSA-N 1 0 348.472 2.331 50 0 EEAARO Cc1ccc(-c2noc(C3CC[NH+](C4CCOCC4)CC3)n2)nn1 ZINC000095525133 463103043 /nfs/dbraw/zinc/10/30/43/463103043.db2.gz VTQYPRXEBNUMIB-UHFFFAOYSA-N 1 0 329.404 2.193 50 0 EEAARO C[NH+](C)[C@@H](CNC(=O)c1cn(Cc2ccccc2)nn1)c1ccccc1 ZINC000026242290 463155540 /nfs/dbraw/zinc/15/55/40/463155540.db2.gz ZAUKULKSORWQKA-IBGZPJMESA-N 1 0 349.438 2.359 50 0 EEAARO O=C(NCCNc1cc(N2CCCC2)cn[nH+]1)Nc1ccccc1 ZINC000096120944 463182133 /nfs/dbraw/zinc/18/21/33/463182133.db2.gz VHFVSAYFASWAAZ-UHFFFAOYSA-N 1 0 326.404 2.310 50 0 EEAARO CC[NH+](CC)CCCNC(=O)[C@H](C)n1cc(Br)cn1 ZINC000028224527 463219268 /nfs/dbraw/zinc/21/92/68/463219268.db2.gz BXQRLKYVQRQEGO-NSHDSACASA-N 1 0 331.258 2.055 50 0 EEAARO COc1ccc(C[NH2+]Cc2ccc(N3CCOCC3)nc2)cc1OC ZINC000030636574 463307722 /nfs/dbraw/zinc/30/77/22/463307722.db2.gz RQVZLFCZOLLYCZ-UHFFFAOYSA-N 1 0 343.427 2.225 50 0 EEAARO CN(Cc1ccccc1)C(=O)C[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000097200512 463344980 /nfs/dbraw/zinc/34/49/80/463344980.db2.gz IKOYGVSEPSLBEF-SFHVURJKSA-N 1 0 338.455 2.474 50 0 EEAARO Cc1cccc(NC[C@H]2CCN(CC(=O)N(C)c3nccs3)C2)[nH+]1 ZINC000097200538 463346080 /nfs/dbraw/zinc/34/60/80/463346080.db2.gz OIRYGNOGXABFOJ-CQSZACIVSA-N 1 0 345.472 2.243 50 0 EEAARO CC[NH+](CC)[C@H](CNC(=O)c1ccn(C)c(=O)c1)c1ccsc1 ZINC000031984172 463360618 /nfs/dbraw/zinc/36/06/18/463360618.db2.gz CGMUIXODVJEILF-OAHLLOKOSA-N 1 0 333.457 2.260 50 0 EEAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)[C@H]1CCOC1 ZINC000082138636 463518771 /nfs/dbraw/zinc/51/87/71/463518771.db2.gz PRYRMDPDPFIUHN-HNNXBMFYSA-N 1 0 346.475 2.074 50 0 EEAARO CCCCSCc1cc(C(=O)N2CC[C@@H]([NH3+])[C@H](O)C2)oc1C ZINC000082161823 463519800 /nfs/dbraw/zinc/51/98/00/463519800.db2.gz AUIOZJLHLGJCSR-ZIAGYGMSSA-N 1 0 326.462 2.155 50 0 EEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(C(F)(F)F)c1 ZINC000106517115 463520252 /nfs/dbraw/zinc/52/02/52/463520252.db2.gz IJVMMWIHJWPCLP-KBPBESRZSA-N 1 0 328.334 2.298 50 0 EEAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N(C)Cc2cccc(F)c2)[C@@H](C)C1 ZINC000107323533 463565133 /nfs/dbraw/zinc/56/51/33/463565133.db2.gz QPTAEFGUXMWMJV-IYOUNJFTSA-N 1 0 349.450 2.019 50 0 EEAARO Cc1nc(C)c([C@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)s1 ZINC000058405268 463593685 /nfs/dbraw/zinc/59/36/85/463593685.db2.gz NVYPTXLYJLKQKO-LBPRGKRZSA-N 1 0 349.504 2.489 50 0 EEAARO O=C(COC[C@H]1CCCCO1)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000221290185 464121933 /nfs/dbraw/zinc/12/19/33/464121933.db2.gz PRCCJYBEJMIPAB-LJQANCHMSA-N 1 0 346.471 2.484 50 0 EEAARO COc1ccc(C(=O)NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc1C ZINC000222320641 464129416 /nfs/dbraw/zinc/12/94/16/464129416.db2.gz AYWJSODSZQLKHE-KRWDZBQOSA-N 1 0 332.444 2.377 50 0 EEAARO CN1Cc2ccccc2C[C@@H]1C[N@H+](C)CCC(=O)Nc1nccs1 ZINC000244735068 464462062 /nfs/dbraw/zinc/46/20/62/464462062.db2.gz NSPNKHHUKUCPRU-MRXNPFEDSA-N 1 0 344.484 2.460 50 0 EEAARO C[C@H](Cc1cnccn1)[N@H+](C)CCC(=O)Nc1nnc(C2CC2)s1 ZINC000244872905 464465008 /nfs/dbraw/zinc/46/50/08/464465008.db2.gz WGQRYXNMJCUDEM-LLVKDONJSA-N 1 0 346.460 2.097 50 0 EEAARO CN(C[C@H]1CCCO1)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000426477167 467142334 /nfs/dbraw/zinc/14/23/34/467142334.db2.gz GDOLDYLRUZYDJV-GOSISDBHSA-N 1 0 345.487 2.470 50 0 EEAARO O=C(NCCCn1cc(Cl)cn1)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000584894570 468957667 /nfs/dbraw/zinc/95/76/67/468957667.db2.gz INPIJQWHHXPRLT-HNNXBMFYSA-N 1 0 339.871 2.196 50 0 EEAARO CC(C)(CNC(=O)N1CCC[C@H](c2ccncn2)C1)[NH+]1CCCC1 ZINC000426593711 535112943 /nfs/dbraw/zinc/11/29/43/535112943.db2.gz LJUSOMQHTTYZHO-HNNXBMFYSA-N 1 0 331.464 2.240 50 0 EEAARO CC(C)C[N@@H+]1C[C@@H]2COC[C@H](C1)N(c1cnc3ccccc3n1)C2 ZINC001772707665 1179297039 /nfs/dbraw/zinc/29/70/39/1179297039.db2.gz WXVPBJDRLXJLEJ-HOTGVXAUSA-N 1 0 326.444 2.423 50 0 EEAARO Cc1cc(-n2cccn2)ccc1-c1c(C#N)c(N)nc2c1C[NH2+]CC2 ZINC000072165486 1370312403 /nfs/dbraw/zinc/31/24/03/1370312403.db2.gz DCGIROPQKXKTHE-UHFFFAOYSA-N 1 0 330.395 2.342 50 0 EEAARO O=c1cc(C2CC2)ncn1CC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000585628976 792889945 /nfs/dbraw/zinc/88/99/45/792889945.db2.gz MMACDSSHFIKBOH-MSOLQXFVSA-N 1 0 331.460 2.136 50 0 EEAARO O=c1cc2c(nn1CC1CC[NH+](CC3(O)CCCCC3)CC1)CCC2 ZINC000585501928 792896213 /nfs/dbraw/zinc/89/62/13/792896213.db2.gz 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O=C(OC[C@@H](O)C[NH+]1CCN(c2ccccc2)CC1)c1ccccc1 ZINC000023704159 135730388 /nfs/dbraw/zinc/73/03/88/135730388.db2.gz OLHKWDBJLFGPFK-IBGZPJMESA-N 1 0 340.423 2.027 50 0 EEAARO COc1cc2c(cc1OC)[C@]13C[C@@H](OC)C=CC1=CC[N@@H+]3C[C@@H]2O ZINC000085730803 286261121 /nfs/dbraw/zinc/26/11/21/286261121.db2.gz QWWCVLZNFFVFTR-AXHNFQJDSA-N 1 0 329.396 2.163 50 0 biogenic,in-vitro EEAARO c1nc2nc3c(c(N4CC[NH+](Cc5ccccc5)CC4)n2n1)CCCC3 ZINC000015786707 275076715 /nfs/dbraw/zinc/07/67/15/275076715.db2.gz DNYBSGMSIJWGOJ-UHFFFAOYSA-N 1 0 348.454 2.325 50 0 EEAARO CC1CC[NH+]([C@@H]2CCc3c(c(C(=O)N4CCCC4)nn3C)C2)CC1 ZINC000014532468 275941718 /nfs/dbraw/zinc/94/17/18/275941718.db2.gz BGPTZGJMZHUNQC-OAHLLOKOSA-N 1 0 330.476 2.245 50 0 EEAARO CNC(=O)c1cccc(C[C@@H]2CC[C@H](C[NH+]3CCSCC3)O2)c1 ZINC000072419442 277261320 /nfs/dbraw/zinc/26/13/20/277261320.db2.gz LJORQMCMZIWRRH-DLBZAZTESA-N 1 0 334.485 2.185 50 0 EEAARO COc1cccc(OC[C@H](O)C[n+]2c(C)n(C)c3ccccc32)c1 ZINC000000089084 462541772 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2.332 50 0 EEAARO c1cn(C[C@@H]2OCCc3ccccc32)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072409843 216201118 /nfs/dbraw/zinc/20/11/18/216201118.db2.gz VWKNTDHSWDMPRR-SFHVURJKSA-N 1 0 335.411 2.164 50 0 EEAARO CSCc1nc(Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)cs1 ZINC000072409541 216201532 /nfs/dbraw/zinc/20/15/32/216201532.db2.gz DFWSUAPZHRNYOO-UHFFFAOYSA-N 1 0 346.485 2.218 50 0 EEAARO Cc1cc(C(=O)N2CCC([C@@H](C)[NH+]3CCOCC3)CC2)ccc1O ZINC000072428829 216221119 /nfs/dbraw/zinc/22/11/19/216221119.db2.gz GWFGJYPVPZSLQQ-OAHLLOKOSA-N 1 0 332.444 2.274 50 0 EEAARO CCc1cc(NC[C@H]2CC[N@H+](CCOC)C2)n2nc(C)c(C)c2n1 ZINC000072433584 216228661 /nfs/dbraw/zinc/22/86/61/216228661.db2.gz DWUZFVLGXGLEBS-OAHLLOKOSA-N 1 0 331.464 2.289 50 0 EEAARO COc1cc(CC(=O)NC[C@@H]2C[N@H+](CC(C)C)CCO2)ccc1C ZINC000022693833 212317601 /nfs/dbraw/zinc/31/76/01/212317601.db2.gz NVAKVQGYHXXQED-QGZVFWFLSA-N 1 0 334.460 2.019 50 0 EEAARO O=C(Cc1cccc(C(F)(F)F)c1)N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000215792998 241147194 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COc1ccc(CC(=O)NCC(C)(C)[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000021055691 212203654 /nfs/dbraw/zinc/20/36/54/212203654.db2.gz KUSHELZJUXSXGM-GASCZTMLSA-N 1 0 334.460 2.242 50 0 EEAARO Cc1cc(C[NH+]2CCC(Cn3cc(-c4ccccn4)nn3)CC2)[nH]n1 ZINC000020996561 212195936 /nfs/dbraw/zinc/19/59/36/212195936.db2.gz FVJLUJPQNIJIBC-UHFFFAOYSA-N 1 0 337.431 2.284 50 0 EEAARO C[C@@H](c1ccncn1)N(C)CC[NH+]1CCN(c2ccccc2)CC1 ZINC000244716204 243066037 /nfs/dbraw/zinc/06/60/37/243066037.db2.gz LKNXQQYWYMSQLN-KRWDZBQOSA-N 1 0 325.460 2.292 50 0 EEAARO O=C(CSCC[NH+]1CCCC1)NCc1cc(-c2ccccn2)no1 ZINC000244873280 243091966 /nfs/dbraw/zinc/09/19/66/243091966.db2.gz WNGTUYCSDPTNGF-UHFFFAOYSA-N 1 0 346.456 2.182 50 0 EEAARO O=c1cc([C@H]2C[C@H]([NH2+]C3CCN(Cc4ccco4)CC3)C2)nc[nH]1 ZINC000253534880 244006067 /nfs/dbraw/zinc/00/60/67/244006067.db2.gz OWPWSSHMAPHBAQ-CTYIDZIISA-N 1 0 328.416 2.275 50 0 EEAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc(NC(C)=O)cc2)C[C@@H]1CCO ZINC000020234267 212113910 /nfs/dbraw/zinc/11/39/10/212113910.db2.gz HKCDHMTXIIXYJN-FQEVSTJZSA-N 1 0 345.487 2.480 50 0 EEAARO O=C1NC2(CC[NH2+]CC2)C(=O)N1Cc1c(F)ccc(Cl)c1Cl ZINC000077406879 216896477 /nfs/dbraw/zinc/89/64/77/216896477.db2.gz GGQQZDBMIDSUPD-UHFFFAOYSA-N 1 0 346.189 2.307 50 0 EEAARO O=c1nncc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000019795424 212068870 /nfs/dbraw/zinc/06/88/70/212068870.db2.gz XOBDPQNUSLSGRH-UHFFFAOYSA-N 1 0 347.422 2.077 50 0 EEAARO O=c1cc(CN2CC[NH+](Cc3ccccc3)CC2)nc2sccn21 ZINC000019357055 212021060 /nfs/dbraw/zinc/02/10/60/212021060.db2.gz FPWSCBCUDQUHKD-UHFFFAOYSA-N 1 0 340.452 2.074 50 0 EEAARO C[C@H]1C[NH+](CCCNC(=O)COc2ccc(Cl)cc2)C[C@H](C)O1 ZINC000012997947 211505565 /nfs/dbraw/zinc/50/55/65/211505565.db2.gz VAGLWSGIJCJTGK-KBPBESRZSA-N 1 0 340.851 2.334 50 0 EEAARO COc1cccc([C@H](CNc2ncnc3c2cnn3C)[NH+](C)C)c1 ZINC000012485973 211393986 /nfs/dbraw/zinc/39/39/86/211393986.db2.gz XEIKUEUTQWWMDI-HNNXBMFYSA-N 1 0 326.404 2.087 50 0 EEAARO CC(C)CC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000012440733 211382887 /nfs/dbraw/zinc/38/28/87/211382887.db2.gz QKCOLDSEFPOTAK-MRXNPFEDSA-N 1 0 328.420 2.111 50 0 EEAARO COc1ccc(C(=O)NC[C@@H](c2ccc3c(c2)OCO3)[NH+](C)C)cc1 ZINC000012196164 211317286 /nfs/dbraw/zinc/31/72/86/211317286.db2.gz ZOXFCLIHSJHVGA-INIZCTEOSA-N 1 0 342.395 2.457 50 0 biogenic EEAARO CC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012076437 211287772 /nfs/dbraw/zinc/28/77/72/211287772.db2.gz ILXHWCQDVMYROY-CQSZACIVSA-N 1 0 335.492 2.014 50 0 EEAARO COc1ccc2c(c1)OC[C@H](C(=O)NCCNc1cc(C)cc[nH+]1)C2 ZINC000091563541 218022471 /nfs/dbraw/zinc/02/24/71/218022471.db2.gz IOQUIRUBCGUQCR-OAHLLOKOSA-N 1 0 341.411 2.178 50 0 EEAARO CCc1nc2ccccc2n1CCC(=O)N1C[C@H]([NH3+])[C@@H](C2CC2)C1 ZINC000091625209 218034645 /nfs/dbraw/zinc/03/46/45/218034645.db2.gz GMYUXUCKTQDYNS-CABCVRRESA-N 1 0 326.444 2.185 50 0 EEAARO CN(CCC[NH+](C)C)[C@H]1CCCN(C(=O)c2ccnc(Cl)c2)C1 ZINC000011814191 211249520 /nfs/dbraw/zinc/24/95/20/211249520.db2.gz PCMRHNWEXYBHJQ-HNNXBMFYSA-N 1 0 338.883 2.223 50 0 EEAARO C[NH+](C)C[C@@H]1CN(Cc2cnn(-c3ccccc3Cl)c2)C[C@@H]1CO ZINC000091678849 218045232 /nfs/dbraw/zinc/04/52/32/218045232.db2.gz FORNJXMIANBCFI-HZPDHXFCSA-N 1 0 348.878 2.128 50 0 EEAARO CCc1nnsc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000091747106 218059017 /nfs/dbraw/zinc/05/90/17/218059017.db2.gz YTYQJQZLHJHKTF-ZIAGYGMSSA-N 1 0 334.489 2.437 50 0 EEAARO CCCc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)[nH]n1 ZINC000091907334 218086982 /nfs/dbraw/zinc/08/69/82/218086982.db2.gz MNNYPHPSIXLBKC-KRWDZBQOSA-N 1 0 326.444 2.491 50 0 EEAARO COCCOC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000091987787 218099336 /nfs/dbraw/zinc/09/93/36/218099336.db2.gz FBJICLXCQCARMZ-MAUKXSAKSA-N 1 0 344.455 2.333 50 0 EEAARO CC[N@H+](C)C[C@@H]1CN(C(=O)c2ccc3cccc(F)c3n2)C[C@@H]1CO ZINC000091966715 218096942 /nfs/dbraw/zinc/09/69/42/218096942.db2.gz OOWMPBJPQYFBPV-HUUCEWRRSA-N 1 0 345.418 2.006 50 0 EEAARO CC[NH+](CC)[C@@H](CNC(=O)c1ccc(=O)[nH]n1)c1cccc(OC)c1 ZINC000021070453 284772630 /nfs/dbraw/zinc/77/26/30/284772630.db2.gz AKOXKDOPLJZXCP-INIZCTEOSA-N 1 0 344.415 2.004 50 0 EEAARO CCC[C@H]1CN(S(=O)(=O)c2cc(C)cc3cccnc32)C[C@@H]1[NH3+] ZINC000095378572 218311749 /nfs/dbraw/zinc/31/17/49/218311749.db2.gz KRFRXKWJBQILOY-GJZGRUSLSA-N 1 0 333.457 2.291 50 0 EEAARO Cc1cnc(C)c(N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)n1 ZINC000095390292 218321650 /nfs/dbraw/zinc/32/16/50/218321650.db2.gz YXSFTDQWOZIPMV-MRXNPFEDSA-N 1 0 328.464 2.236 50 0 EEAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([N@@H+]3C[C@H](C)C[C@H](C)C3)C2=O)cc1 ZINC000005043888 210373363 /nfs/dbraw/zinc/37/33/63/210373363.db2.gz IULYOWUGSZCYKF-IIYDPXPESA-N 1 0 343.427 2.255 50 0 EEAARO Cc1[nH]c2c(cccc2C(=O)NCc2cc3n(n2)CCC[NH2+]C3)c1C ZINC000097334322 219012827 /nfs/dbraw/zinc/01/28/27/219012827.db2.gz LNLYFLKMUNQYNG-UHFFFAOYSA-N 1 0 337.427 2.405 50 0 EEAARO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)C(=O)Nc1ccc(F)cc1Cl ZINC000119448031 221323329 /nfs/dbraw/zinc/32/33/29/221323329.db2.gz JCYKKEIPLVTHCZ-YGRLFVJLSA-N 1 0 341.814 2.216 50 0 EEAARO CC(C)[N@@H+]1CCN(Cc2cccn2-c2cccnc2)C[C@H]1CCO ZINC000036385766 258003528 /nfs/dbraw/zinc/00/35/28/258003528.db2.gz LOCVBHFHSSMDTC-LJQANCHMSA-N 1 0 328.460 2.149 50 0 EEAARO Cc1ccc(OC(C)(C)C(=O)NCC[N@@H+]2CCCC[C@@H]2CO)cc1 ZINC000299778669 258088366 /nfs/dbraw/zinc/08/83/66/258088366.db2.gz KHDYRXWRBDDLOY-MRXNPFEDSA-N 1 0 334.460 2.115 50 0 EEAARO Cc1ccc(C(=O)N2CCC(C(=O)N3CCC[N@@H+](C)CC3)CC2)cc1 ZINC000299786987 258093368 /nfs/dbraw/zinc/09/33/68/258093368.db2.gz RBRCFWJMVLEJND-UHFFFAOYSA-N 1 0 343.471 2.011 50 0 EEAARO Cc1c(C)n(Cc2ccncc2)c2ncn(CCC[NH+](C)C)c(=N)c12 ZINC000009420499 258054084 /nfs/dbraw/zinc/05/40/84/258054084.db2.gz KIVYGNPJKSFSRP-UHFFFAOYSA-N 1 0 338.459 2.329 50 0 EEAARO [NH3+]CCCOc1cc(Cl)ccc1C(=O)NC[C@H]1CCCOC1 ZINC000299763190 258079936 /nfs/dbraw/zinc/07/99/36/258079936.db2.gz ZZRZZADCTZMIPC-GFCCVEGCSA-N 1 0 326.824 2.224 50 0 EEAARO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@@H](c2ccccc2)N1)OCCCO4 ZINC000009378165 295210539 /nfs/dbraw/zinc/21/05/39/295210539.db2.gz AISMCHXYLQDDNB-INIZCTEOSA-N 1 0 335.367 2.294 50 0 EEAARO C[N@@H+]1CCC[C@H]1CCNS(=O)(=O)c1ccc(Br)cc1 ZINC000000352670 462555728 /nfs/dbraw/zinc/55/57/28/462555728.db2.gz AHHTZXULJDISNC-LBPRGKRZSA-N 1 0 347.278 2.212 50 0 EEAARO CN(C)C(=O)Oc1cccc(OCc2c[n+]3ccccc3n2C)c1 ZINC000000387382 462559260 /nfs/dbraw/zinc/55/92/60/462559260.db2.gz DXSYBMCLVAMQCQ-UHFFFAOYSA-N 1 0 326.376 2.403 50 0 EEAARO CN1CCC([N@H+](C)C[C@@H](O)CO[C@@H]2CCCc3ccccc32)CC1 ZINC000005887674 462671329 /nfs/dbraw/zinc/67/13/29/462671329.db2.gz XQGWLXAHYUIKSO-UYAOXDASSA-N 1 0 332.488 2.468 50 0 EEAARO CCc1cc(=O)oc2c(C)c(OCC(=O)NCCC[NH+](C)C)ccc12 ZINC000006659653 462694809 /nfs/dbraw/zinc/69/48/09/462694809.db2.gz LNBFNPJEGPZDHD-UHFFFAOYSA-N 1 0 346.427 2.111 50 0 EEAARO COc1c(C[NH2+]C2CCN(C(=O)c3ccccc3)CC2)c(C)nn1C ZINC000065475470 462777553 /nfs/dbraw/zinc/77/75/53/462777553.db2.gz MAOQJSXRKYDSLZ-UHFFFAOYSA-N 1 0 342.443 2.132 50 0 EEAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC000012747100 462866013 /nfs/dbraw/zinc/86/60/13/462866013.db2.gz XFWCUCVFHHRGCO-GOSISDBHSA-N 1 0 325.412 2.057 50 0 EEAARO O=C(CC[C@H]1CCC[N@H+](Cc2ccc3nonc3c2)C1)NC1CC1 ZINC000012759726 462867098 /nfs/dbraw/zinc/86/70/98/462867098.db2.gz DRSBQHKSJGVAHS-CYBMUJFWSA-N 1 0 328.416 2.494 50 0 EEAARO CCn1nc(C(=O)N2CCCCCC2)c2c1CC[C@H]([NH2+]CCOC)C2 ZINC000014750845 462932690 /nfs/dbraw/zinc/93/26/90/462932690.db2.gz NNWOZILMGIWNSD-HNNXBMFYSA-N 1 0 348.491 2.013 50 0 EEAARO COCCNC(=O)CCC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000014974700 462936353 /nfs/dbraw/zinc/93/63/53/462936353.db2.gz IORAQQAVSVTRJM-UHFFFAOYSA-N 1 0 346.471 2.376 50 0 EEAARO CCC(=O)N1c2ccccc2C[C@H]1C(=O)NCCC[NH+](CC)CC ZINC000015773499 462962424 /nfs/dbraw/zinc/96/24/24/462962424.db2.gz RQGKTKWBOPCTEI-KRWDZBQOSA-N 1 0 331.460 2.202 50 0 EEAARO CCc1ccc2nc(C)cc(C(=O)N3C[C@H]([NH+](C)C)C[C@H]3CO)c2c1 ZINC000077391559 462979005 /nfs/dbraw/zinc/97/90/05/462979005.db2.gz UVJVQXCLZJUARC-CVEARBPZSA-N 1 0 341.455 2.243 50 0 EEAARO C[C@@H]1C[N@H+](C2CCN(C(=O)COCc3ccccc3)CC2)C[C@H](C)O1 ZINC000077407294 462981124 /nfs/dbraw/zinc/98/11/24/462981124.db2.gz OUJSENGYFPXLLV-CALCHBBNSA-N 1 0 346.471 2.303 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2ccc3c(c2)OCO3)CC1 ZINC000077406161 462981466 /nfs/dbraw/zinc/98/14/66/462981466.db2.gz XFSMFGZVKZHFLY-UHFFFAOYSA-N 1 0 339.395 2.471 50 0 EEAARO CCC(CC)CN1CC2(CCN(C(=O)C[N@H+](C)CC)CC2)OC1=O ZINC000077519133 462999151 /nfs/dbraw/zinc/99/91/51/462999151.db2.gz DUEDUSKZVPRFLY-UHFFFAOYSA-N 1 0 339.480 2.188 50 0 EEAARO COCCN1C[C@]2(CCC[N@H+](Cc3cccc(O)c3)C2)CCC1=O ZINC000077536642 463002123 /nfs/dbraw/zinc/00/21/23/463002123.db2.gz SMAQUJFGGCSTNJ-LJQANCHMSA-N 1 0 332.444 2.243 50 0 EEAARO Cc1ccc(OCC(=O)Nc2ccc(N3CC[NH+](C)CC3)nc2)cc1 ZINC000020375455 463027851 /nfs/dbraw/zinc/02/78/51/463027851.db2.gz ZGTWTEJPBZBNBT-UHFFFAOYSA-N 1 0 340.427 2.159 50 0 EEAARO Cn1nc(C(=O)NC[C@H]2CC[N@H+](Cc3ccncc3)C2)c2ccccc21 ZINC000067641207 463030926 /nfs/dbraw/zinc/03/09/26/463030926.db2.gz OKCMVLREVBBXTL-MRXNPFEDSA-N 1 0 349.438 2.220 50 0 EEAARO CCOc1ncccc1C(=O)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000095503192 463096866 /nfs/dbraw/zinc/09/68/66/463096866.db2.gz HKDRIXCIXOYNRF-HZPDHXFCSA-N 1 0 329.444 2.427 50 0 EEAARO COCCC[NH+]1CCN(C(=O)Nc2ccc(F)c(OC)c2)CC1 ZINC000095526513 463103074 /nfs/dbraw/zinc/10/30/74/463103074.db2.gz PSTCLSHFSCEPFO-UHFFFAOYSA-N 1 0 325.384 2.020 50 0 EEAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(c2nc(CO)cs2)C1 ZINC000095529902 463105285 /nfs/dbraw/zinc/10/52/85/463105285.db2.gz NPWWRTKVZTVSRR-AWEZNQCLSA-N 1 0 349.504 2.168 50 0 EEAARO CCc1nnc2n1C[C@H]([NH2+]Cc1cc3c(cc1OC)C[C@H](C)O3)CC2 ZINC000097199508 463344538 /nfs/dbraw/zinc/34/45/38/463344538.db2.gz MAORFGKESRZUCQ-SWLSCSKDSA-N 1 0 342.443 2.277 50 0 EEAARO CC[NH+](CC)[C@H](CNC(=O)Cn1ccccc1=O)c1ccsc1 ZINC000032915220 463402004 /nfs/dbraw/zinc/40/20/04/463402004.db2.gz IOUWZUACZAPKMN-OAHLLOKOSA-N 1 0 333.457 2.109 50 0 EEAARO O=C(c1cnccn1)N1C[C@@H](c2ccccc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071751883 463422533 /nfs/dbraw/zinc/42/25/33/463422533.db2.gz LABDZGNAELFPQP-QXAKKESOSA-N 1 0 334.423 2.179 50 0 EEAARO O=C(C[N@@H+]1CCCC[C@@H]1Cn1cncn1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000106844575 463541371 /nfs/dbraw/zinc/54/13/71/463541371.db2.gz LKLOGBHFMZFZHU-RCCFBDPRSA-N 1 0 345.491 2.314 50 0 EEAARO O=C([C@@H]1CCCc2ccccc21)N1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000106909398 463550164 /nfs/dbraw/zinc/55/01/64/463550164.db2.gz HAEFLOQGVVNPED-CEXWTWQISA-N 1 0 328.456 2.164 50 0 EEAARO Cc1cc(C)n(-c2ccc(C(=O)N(C)C3CC[NH2+]CC3)cc2F)n1 ZINC000125513576 463551972 /nfs/dbraw/zinc/55/19/72/463551972.db2.gz YSLCPUCBKRLQAU-UHFFFAOYSA-N 1 0 330.407 2.452 50 0 EEAARO CC(=O)NC12C[C@@H]3C[C@H](C1)CC(C(=O)N[C@@H]1CC[N@@H+](C(C)C)C1)(C3)C2 ZINC000107317859 463564874 /nfs/dbraw/zinc/56/48/74/463564874.db2.gz WJVCZYBQNLMLQH-CZZMKVDGSA-N 1 0 347.503 2.060 50 0 EEAARO C[C@@H]1CN(c2ccccc2C[N@@H+]2CCC[C@@H](CC(N)=O)C2)C[C@@H](C)O1 ZINC000108369629 463601607 /nfs/dbraw/zinc/60/16/07/463601607.db2.gz MHCDIMYYSXSZTO-ZACQAIPSSA-N 1 0 345.487 2.388 50 0 EEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)N(CCC(F)(F)F)C1CCC1 ZINC000110673132 463661817 /nfs/dbraw/zinc/66/18/17/463661817.db2.gz GGXYGBCAIBIQKQ-UONOGXRCSA-N 1 0 349.397 2.366 50 0 EEAARO Cc1ccc(F)c(N2CCC[C@H]([NH2+][C@H](C)CS(C)(=O)=O)C2)c1 ZINC000110706467 463662824 /nfs/dbraw/zinc/66/28/24/463662824.db2.gz LTUYIKHOYFYUDO-KGLIPLIRSA-N 1 0 328.453 2.126 50 0 EEAARO O=C(CN1CCC[C@@H](c2cc[nH]n2)C1)N1CCOc2ccccc21 ZINC000244701131 464461544 /nfs/dbraw/zinc/46/15/44/464461544.db2.gz KASIJGBPHGOARI-CQSZACIVSA-N 1 0 326.400 2.015 50 0 EEAARO Cc1ccsc1C(=O)N1CCCN(C(=O)[C@H]2CCC[N@@H+](C)C2)CC1 ZINC001772712500 1179307276 /nfs/dbraw/zinc/30/72/76/1179307276.db2.gz SVOBBBVVJPSWNW-HNNXBMFYSA-N 1 0 349.500 2.073 50 0 EEAARO O=C([O-])[C@@H]1CC2(C[NH2+]1)CC[NH+](Cc1ccc3ccccc3n1)CC2 ZINC000082098990 1188876035 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O=c1cc(C2CC2)ncn1CC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000585628979 775426616 /nfs/dbraw/zinc/42/66/16/775426616.db2.gz MMACDSSHFIKBOH-QZTJIDSGSA-N 1 0 331.460 2.136 50 0 EEAARO C[NH+](C)CCN(Cc1cccc(Cn2cccn2)c1)C[C@@H]1CCCO1 ZINC000952867563 796071143 /nfs/dbraw/zinc/07/11/43/796071143.db2.gz PFNYGEZZZZEQII-FQEVSTJZSA-N 1 0 342.487 2.474 50 0 EEAARO COCC(=O)Nc1ccc(C)c(NC(=O)C[NH+]2CCCCCC2)c1 ZINC000952969018 796132622 /nfs/dbraw/zinc/13/26/22/796132622.db2.gz OWWOCUHKYJFTKW-UHFFFAOYSA-N 1 0 333.432 2.394 50 0 EEAARO C[C@@H]1Cc2cc(NC(=O)c3cn([C@H]4CC[C@@H]([NH3+])CC4)nn3)ccc2O1 ZINC000952969053 796132851 /nfs/dbraw/zinc/13/28/51/796132851.db2.gz APBAKQAEXOFWEJ-KYOSRNDESA-N 1 0 341.415 2.296 50 0 EEAARO C[C@@H](C[N@@H+]1CCc2ccccc2C1)Nc1cncc(C(=O)N(C)C)n1 ZINC000952982759 796146065 /nfs/dbraw/zinc/14/60/65/796146065.db2.gz MONVBPYDMZZGBV-AWEZNQCLSA-N 1 0 339.443 2.037 50 0 EEAARO Cc1ccc(NC(=O)CN(C)C)cc1NC(=O)C[C@@H]1CCCC[N@@H+]1C ZINC000823676186 798757104 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CC[NH+](CC)CC(=O)Nc1c2c(ccc1Br)OCO2 ZINC000004337987 210174177 /nfs/dbraw/zinc/17/41/77/210174177.db2.gz HAJUIGOEXWFTAW-UHFFFAOYSA-N 1 0 329.194 2.458 50 0 EEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3cccs3)C2=O)cc1 ZINC000003856243 210080490 /nfs/dbraw/zinc/08/04/90/210080490.db2.gz YCQMLAKJYVEPDK-HNNXBMFYSA-N 1 0 330.409 2.221 50 0 EEAARO Cc1ccc2[nH]c(COCC(=O)N3CC[C@@H]4CC[C@H](C3)[N@@H+]4C)nc2c1 ZINC000067514456 215156833 /nfs/dbraw/zinc/15/68/33/215156833.db2.gz WTSNCLJNPGOEIL-LSDHHAIUSA-N 1 0 342.443 2.083 50 0 EEAARO C/C=C(\C)C[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c(c2)OCCO3)C1 ZINC000067587674 215164048 /nfs/dbraw/zinc/16/40/48/215164048.db2.gz FIWNMCGMKLJPCQ-GAEAOFGJSA-N 1 0 330.428 2.476 50 0 EEAARO Cc1cnc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cc(C(C)C)no3)C2)cn1 ZINC000067712644 215191312 /nfs/dbraw/zinc/19/13/12/215191312.db2.gz ZZEAHGWYHJYZRR-AWEZNQCLSA-N 1 0 343.431 2.148 50 0 EEAARO Cc1c(C[NH+]2CCC3(CC2)C(=O)NCCN3C)[nH]c2c1cccc2C ZINC000067742040 215201384 /nfs/dbraw/zinc/20/13/84/215201384.db2.gz QLKGTOIRJHJEHG-UHFFFAOYSA-N 1 0 340.471 2.181 50 0 EEAARO CCn1c(=O)n(CCOc2ccc(C)cc2C)nc1[C@H]1CCC[NH2+]C1 ZINC000067817713 215219167 /nfs/dbraw/zinc/21/91/67/215219167.db2.gz VYDWXQIBDWYNNO-INIZCTEOSA-N 1 0 344.459 2.228 50 0 EEAARO Cc1noc2nc3c(c(C(=O)NC[C@H]4CCC[N@@H+](C)C4)c12)CCC3 ZINC000067908491 215246776 /nfs/dbraw/zinc/24/67/76/215246776.db2.gz IIZZMRJHQRIQSU-GFCCVEGCSA-N 1 0 328.416 2.092 50 0 EEAARO COc1ccc(C)cc1S(=O)(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000067920146 215249580 /nfs/dbraw/zinc/24/95/80/215249580.db2.gz ZBXIOXGVEVVMQW-QGZVFWFLSA-N 1 0 338.473 2.110 50 0 EEAARO C[NH+]1CCN(Cc2ccccc2Oc2ccc(C(N)=O)cc2)CC1 ZINC000067974507 215263767 /nfs/dbraw/zinc/26/37/67/215263767.db2.gz DBEREMYUAYDJMK-UHFFFAOYSA-N 1 0 325.412 2.325 50 0 EEAARO OCC[NH+]1CCN(CCOc2c(Cl)ccc3ccccc32)CC1 ZINC000040456307 213305295 /nfs/dbraw/zinc/30/52/95/213305295.db2.gz WPVCCTAQKWXWIL-UHFFFAOYSA-N 1 0 334.847 2.482 50 0 EEAARO Fc1cccc(F)c1-n1c[n+]2c(n1)CO[C@@H]1Cc3ccccc3[C@@H]12 ZINC000209675326 283014783 /nfs/dbraw/zinc/01/47/83/283014783.db2.gz LVEDJGFBESWROS-WBVHZDCISA-N 1 0 326.326 2.482 50 0 EEAARO [NH3+]C1(c2nnnn2-c2ccc3c(c2)OCO3)C2CC3CC(C2)CC1C3 ZINC000035615879 213043098 /nfs/dbraw/zinc/04/30/98/213043098.db2.gz BHZFFSQHEPKWLC-UHFFFAOYSA-N 1 0 339.399 2.001 50 0 EEAARO CCCc1cc(NCC[C@@H](C)[NH+]2CCN(C)CC2)n2nccc2n1 ZINC000072143272 216028727 /nfs/dbraw/zinc/02/87/27/216028727.db2.gz KCRYKELFTKUZMI-OAHLLOKOSA-N 1 0 330.480 2.120 50 0 EEAARO Cn1ncc2c1nc(-c1cccnc1)nc2N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000072167392 216058017 /nfs/dbraw/zinc/05/80/17/216058017.db2.gz QMYLPFLWDNOFOP-LSDHHAIUSA-N 1 0 349.442 2.098 50 0 EEAARO COc1cccc(OC[C@H](O)C[NH+]2C(C)(C)CC(O)CC2(C)C)c1 ZINC000000240322 209499941 /nfs/dbraw/zinc/49/99/41/209499941.db2.gz WRVLJUSZOCTYSH-OAHLLOKOSA-N 1 0 337.460 2.449 50 0 EEAARO CNc1nc(N[C@@H]2CCC[N@H+](Cc3ccccn3)C2)nc2c1CCC2 ZINC000072408715 216199728 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Cc1nnc([C@@H]2CCCN2C(=O)c2ccc(C)c(OCCC[NH3+])c2)[nH]1 ZINC000426691341 241326940 /nfs/dbraw/zinc/32/69/40/241326940.db2.gz UZRTUJIGWPVEBL-HNNXBMFYSA-N 1 0 343.431 2.126 50 0 EEAARO c1cncc(C[N@@H+]2CCCN(c3cc([C@@H]4CCOC4)ncn3)CC2)c1 ZINC000426705553 241327779 /nfs/dbraw/zinc/32/77/79/241327779.db2.gz CDRMOMNZSFKRDR-QGZVFWFLSA-N 1 0 339.443 2.088 50 0 EEAARO CCCOc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1CO ZINC000426412730 241282169 /nfs/dbraw/zinc/28/21/69/241282169.db2.gz HYAUPAQCWOZDTH-YZGWKJHDSA-N 1 0 349.471 2.472 50 0 EEAARO Cc1cccc(CNC(=O)N2CC[N@H+](CC3CC3)[C@H](CCO)C2)c1C ZINC000426415681 241282277 /nfs/dbraw/zinc/28/22/77/241282277.db2.gz VVWUESLYULRKJJ-LJQANCHMSA-N 1 0 345.487 2.292 50 0 EEAARO CCN(Cc1ccccc1)C(=O)Cn1nccc1[C@H]1CCC[NH2+]C1 ZINC000426567183 241311216 /nfs/dbraw/zinc/31/12/16/241311216.db2.gz ZKROOFWPOGMTQC-KRWDZBQOSA-N 1 0 326.444 2.399 50 0 EEAARO CN(CCOc1cccc(Cl)c1)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000219301605 241377676 /nfs/dbraw/zinc/37/76/76/241377676.db2.gz ZGHHOMQABWHDNU-UHFFFAOYSA-N 1 0 347.850 2.432 50 0 EEAARO O=C(C1CC[NH+](C[C@H]2CCOC2)CC1)N1CCc2ccccc2C1 ZINC000244742255 243072021 /nfs/dbraw/zinc/07/20/21/243072021.db2.gz OELHGFXZNLQLQT-MRXNPFEDSA-N 1 0 328.456 2.320 50 0 EEAARO CN1CCN(C(=O)C2CC[NH+](Cc3cccc(Cl)c3)CC2)CC1 ZINC000020100372 212100728 /nfs/dbraw/zinc/10/07/28/212100728.db2.gz AEOFTVGVLXPINM-UHFFFAOYSA-N 1 0 335.879 2.326 50 0 EEAARO CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)NCCCN1CC[NH+](C)CC1 ZINC000019934644 212086636 /nfs/dbraw/zinc/08/66/36/212086636.db2.gz GWZYERLSLMPWBY-LJQANCHMSA-N 1 0 347.503 2.215 50 0 EEAARO CC(C)([NH3+])c1cn(C[C@@H]2CCCN(C(=O)Cc3ccsc3)C2)nn1 ZINC000019144066 212001313 /nfs/dbraw/zinc/00/13/13/212001313.db2.gz NLZGTTHPUMMGOF-CQSZACIVSA-N 1 0 347.488 2.015 50 0 EEAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@]1(O)C[NH+]1CCCCC1 ZINC000012455429 211387327 /nfs/dbraw/zinc/38/73/27/211387327.db2.gz SFURVHUMRAEWQK-SFHVURJKSA-N 1 0 338.398 2.304 50 0 EEAARO CCCc1ncc(C[NH2+][C@H]2CCCc3nc(N(C)C)ncc32)cn1 ZINC000012387004 211364797 /nfs/dbraw/zinc/36/47/97/211364797.db2.gz WADRXEKTKXZVJA-HNNXBMFYSA-N 1 0 326.448 2.452 50 0 EEAARO Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)C[NH+](C)C ZINC000011944265 211272600 /nfs/dbraw/zinc/27/26/00/211272600.db2.gz MKFAFKNXUGMJHY-ZDUSSCGKSA-N 1 0 333.480 2.293 50 0 EEAARO COCCN1CCC[C@]2(CC[N@@H+](C3Cc4ccccc4C3)C2)C1=O ZINC000011934477 211272086 /nfs/dbraw/zinc/27/20/86/211272086.db2.gz OJMYTESFBPSFQV-HXUWFJFHSA-N 1 0 328.456 2.115 50 0 EEAARO COCCN1CC2(CCC1=O)CC[NH+](Cc1cnn(C(C)C)c1)CC2 ZINC000091605020 218031119 /nfs/dbraw/zinc/03/11/19/218031119.db2.gz OPYUIXQRNBNJMF-UHFFFAOYSA-N 1 0 348.491 2.315 50 0 EEAARO COc1ccc2c(c1)OC[C@H](C(=O)NCCC13CCC[NH+]1CCC3)C2 ZINC000091656992 218042248 /nfs/dbraw/zinc/04/22/48/218042248.db2.gz JCLYBLGWBWTBAD-MRXNPFEDSA-N 1 0 344.455 2.381 50 0 EEAARO COCC[C@]1(O)CC[N@H+](Cc2ccc(OC)c(COC)c2)C[C@H]1C ZINC000091724410 218053401 /nfs/dbraw/zinc/05/34/01/218053401.db2.gz 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ZINC000095370319 218303429 /nfs/dbraw/zinc/30/34/29/218303429.db2.gz XYRULXHWJSTZHB-UHFFFAOYSA-N 1 0 325.412 2.472 50 0 EEAARO C[N@@H+]1CCC[C@@H](CCC(=O)N2CCOc3ccc(CO)cc3C2)C1 ZINC000095381419 218313432 /nfs/dbraw/zinc/31/34/32/218313432.db2.gz KDWCAKXNXKOTFI-HNNXBMFYSA-N 1 0 332.444 2.022 50 0 EEAARO COc1ccccc1OC[C@@H](O)C[NH+]1C(C)(C)CC(O)CC1(C)C ZINC000008844742 211010537 /nfs/dbraw/zinc/01/05/37/211010537.db2.gz BFMNKQXOKAQRRF-HNNXBMFYSA-N 1 0 337.460 2.449 50 0 EEAARO Cc1cc(C)c2c(ncnc2NCCC[N@@H+]2CCC[C@@H](CO)C2)n1 ZINC000095391294 218322965 /nfs/dbraw/zinc/32/29/65/218322965.db2.gz DCQCXJRIFNEHFV-OAHLLOKOSA-N 1 0 329.448 2.148 50 0 EEAARO CC(C)NC(=O)c1ccc(NC(=O)N2CC[C@@H](C[NH3+])C2)cc1Cl ZINC000096151985 218628225 /nfs/dbraw/zinc/62/82/25/218628225.db2.gz KPMPZTLZFNZGKN-NSHDSACASA-N 1 0 338.839 2.291 50 0 EEAARO Cc1cc(C)c(C(=O)N2CCCN(c3cc[nH+]cc3C)CC2)c(=O)[nH]1 ZINC000091680473 291795983 /nfs/dbraw/zinc/79/59/83/291795983.db2.gz OMUORYKGTASLHM-UHFFFAOYSA-N 1 0 340.427 2.048 50 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468272093 /nfs/dbraw/zinc/27/20/93/468272093.db2.gz YTPDYZDFAKAUOL-UHFFFAOYSA-N 1 0 337.464 2.438 50 0 EEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)NC(=O)CO2 ZINC000085876744 462563830 /nfs/dbraw/zinc/56/38/30/462563830.db2.gz KQQQOQSNCHKHQS-GOEBONIOSA-N 1 0 343.427 2.012 50 0 biogenic EEAARO CCCC(=O)Nc1ccc(OC[C@H](O)C[NH2+]C(C)C)c(C(C)=O)c1 ZINC000000968255 462574391 /nfs/dbraw/zinc/57/43/91/462574391.db2.gz GOEMGAFJFRBGGG-OAHLLOKOSA-N 1 0 336.432 2.366 50 0 fda EEAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@@H](O)COC[C@H]2COc3ccccc3O2)C1 ZINC000001189974 462577363 /nfs/dbraw/zinc/57/73/63/462577363.db2.gz SUZCNOSJLWNTST-TWMKSMIVSA-N 1 0 335.444 2.182 50 0 EEAARO CC(=O)Nc1ccnn1CC1=CCC[N@H+](Cc2ncccc2C)C1 ZINC000065384487 462761783 /nfs/dbraw/zinc/76/17/83/462761783.db2.gz GBFOMFRBINDXTA-UHFFFAOYSA-N 1 0 325.416 2.377 50 0 EEAARO CCc1c(C)sc2ncnc(N3C[C@H](O)[C@@H]([NH+]4CCCC4)C3)c12 ZINC000065395980 462763810 /nfs/dbraw/zinc/76/38/10/462763810.db2.gz IQJHIQYDDCBCPM-KBPBESRZSA-N 1 0 332.473 2.207 50 0 EEAARO CC(=O)N1CCC([N@@H+]2CCC[C@@H]2c2nc(-c3ccncc3)no2)CC1 ZINC000065409371 462766225 /nfs/dbraw/zinc/76/62/25/462766225.db2.gz HBGLTDJSEXULQT-MRXNPFEDSA-N 1 0 341.415 2.279 50 0 EEAARO Cc1ccc(C[NH+]2CCC(Cc3nnc(CO)n3C)CC2)cc1C ZINC000065455328 462773413 /nfs/dbraw/zinc/77/34/13/462773413.db2.gz JYDXSYAKCKWHNR-UHFFFAOYSA-N 1 0 328.460 2.379 50 0 EEAARO O=C(CSCC[NH+]1CCCC1)NC[C@H]1COc2ccccc2C1 ZINC000091254305 462866248 /nfs/dbraw/zinc/86/62/48/462866248.db2.gz AOVYLELITVPSAG-HNNXBMFYSA-N 1 0 334.485 2.183 50 0 EEAARO O=C(NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2)c1ncc[nH]1 ZINC000091254729 462866426 /nfs/dbraw/zinc/86/64/26/462866426.db2.gz BFHILUKWICNJQT-UHFFFAOYSA-N 1 0 342.447 2.075 50 0 EEAARO FC(F)(F)c1nnc2ccc(NC3CC[NH+](C4CC4)CC3)nn21 ZINC000014327694 462924372 /nfs/dbraw/zinc/92/43/72/462924372.db2.gz RQSNDWMVANTMPM-UHFFFAOYSA-N 1 0 326.326 2.182 50 0 EEAARO CC(C)[NH2+][C@@H]1CCc2c(c(C(=O)NCCc3ccccc3)nn2C)C1 ZINC000014731247 462931132 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C[N@H+](Cc1cc(-c2cccnc2)no1)CC(C)(C)N1CCOCC1 ZINC000077440101 462984187 /nfs/dbraw/zinc/98/41/87/462984187.db2.gz AHXYAIPSFOZEHH-UHFFFAOYSA-N 1 0 330.432 2.279 50 0 EEAARO Cc1cc(N2CCN(C(=O)c3c[nH]c(=O)c(Cl)c3)CC2)cc(C)[nH+]1 ZINC000077485218 462992488 /nfs/dbraw/zinc/99/24/88/462992488.db2.gz USFZJTPLMWTQKP-UHFFFAOYSA-N 1 0 346.818 2.003 50 0 EEAARO c1cnc(OC2CC[NH+]([C@@H]3CCOC4(CCOCC4)C3)CC2)nc1 ZINC000077539651 463002299 /nfs/dbraw/zinc/00/22/99/463002299.db2.gz IDYRNWFNYUGNJY-OAHLLOKOSA-N 1 0 333.432 2.048 50 0 EEAARO C[NH2+]Cc1cn(C2CCN(C(=O)c3ccccc3SC)CC2)nn1 ZINC000019113300 463013943 /nfs/dbraw/zinc/01/39/43/463013943.db2.gz OKQVDSRKQAQTDJ-UHFFFAOYSA-N 1 0 345.472 2.197 50 0 EEAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)N1Cc2cnc(-c3ccccc3)nc2C1 ZINC000067880839 463063344 /nfs/dbraw/zinc/06/33/44/463063344.db2.gz SJRQAJSLFNZACK-PBHICJAKSA-N 1 0 334.423 2.470 50 0 EEAARO C[N@H+](Cc1cnc(N2CCOCC2)nc1)Cc1cccc2ncccc12 ZINC000067894830 463063627 /nfs/dbraw/zinc/06/36/27/463063627.db2.gz WPIHRLSZLOZZNY-UHFFFAOYSA-N 1 0 349.438 2.493 50 0 EEAARO O=C(COc1ccc(F)cc1F)N1CCN(c2cc[nH+]cc2)CC1 ZINC000024625656 463091816 /nfs/dbraw/zinc/09/18/16/463091816.db2.gz AQQMRWSOZSLZJN-UHFFFAOYSA-N 1 0 333.338 2.087 50 0 EEAARO CCCCc1nc(CN2CC[N@H+](Cc3ccccc3)C[C@H](O)C2)c[nH]1 ZINC000095508544 463098952 /nfs/dbraw/zinc/09/89/52/463098952.db2.gz GDLJTPPCQJAHJI-IBGZPJMESA-N 1 0 342.487 2.431 50 0 EEAARO CN(C)c1nccnc1N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000095523129 463102072 /nfs/dbraw/zinc/10/20/72/463102072.db2.gz TXAOLAGJHUDPGZ-UHFFFAOYSA-N 1 0 329.423 2.394 50 0 EEAARO C[NH+]1CCN(CCCNC(=O)Nc2ccc(OC(F)F)cc2)CC1 ZINC000095531802 463107608 /nfs/dbraw/zinc/10/76/08/463107608.db2.gz NDXJWRHRPORAAY-UHFFFAOYSA-N 1 0 342.390 2.047 50 0 EEAARO COC(=O)c1csc(N2[NH2+]C3=C(CCC3)[C@@]2(O)C(F)(F)F)n1 ZINC000025185915 463112928 /nfs/dbraw/zinc/11/29/28/463112928.db2.gz MHWABVCPIKEMQO-UPONEAKYSA-N 1 0 335.307 2.157 50 0 EEAARO O=C(C[N@@H+]1CCC[C@H]1Cc1ccccc1)NC(=O)NCC(F)(F)F ZINC000025360041 463121711 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CC(C)[C@H]1CN(C(=O)CCC2=NNC(=O)CC2)CCC[N@@H+]1CC1CC1 ZINC000071422172 463416306 /nfs/dbraw/zinc/41/63/06/463416306.db2.gz JMPNDBSASOTKHC-QGZVFWFLSA-N 1 0 348.491 2.002 50 0 EEAARO C[C@H]1CCC[N@H+](Cc2ccc(C(=O)N3CCC(C(N)=O)CC3)cc2)C1 ZINC000033359548 463421377 /nfs/dbraw/zinc/42/13/77/463421377.db2.gz FDNFSVHAJYWJOM-HNNXBMFYSA-N 1 0 343.471 2.256 50 0 EEAARO C[C@@H](CNC(=O)c1cccc(NC(=O)[C@H]2C[C@H]2C)c1)[NH+]1CCCC1 ZINC000106147816 463504987 /nfs/dbraw/zinc/50/49/87/463504987.db2.gz JZFZPKPGWUGQBW-KEYYUXOJSA-N 1 0 329.444 2.495 50 0 EEAARO COc1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c(OC)c1 ZINC000106661455 463530338 /nfs/dbraw/zinc/53/03/38/463530338.db2.gz CPTOLKNOOVBWFZ-IAGOWNOFSA-N 1 0 332.444 2.332 50 0 EEAARO Cc1cnn(C[C@H]2CCCC[N@@H+]2C[C@@H](O)COCc2ccco2)c1 ZINC000106908514 463550415 /nfs/dbraw/zinc/55/04/15/463550415.db2.gz FWQMIKFJIPKQGC-IAGOWNOFSA-N 1 0 333.432 2.217 50 0 EEAARO CC(=O)Nc1cccc(CN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c1 ZINC000110675081 463662026 /nfs/dbraw/zinc/66/20/26/463662026.db2.gz HQJXCZBHSDLDKK-OALUTQOASA-N 1 0 331.460 2.066 50 0 EEAARO CNc1cc(C)[nH+]c(N2CCCn3nc([C@@H](O)C4CCC4)cc3C2)n1 ZINC000219909691 464112665 /nfs/dbraw/zinc/11/26/65/464112665.db2.gz IVDYPGWLLUJDRE-KRWDZBQOSA-N 1 0 342.447 2.267 50 0 EEAARO NC(=O)c1csc(N2CCC[N@H+](CCCc3ccccc3)CC2)n1 ZINC000292609149 464287481 /nfs/dbraw/zinc/28/74/81/464287481.db2.gz WQYPBTCWMYRYEQ-UHFFFAOYSA-N 1 0 344.484 2.387 50 0 EEAARO CN1CCc2ncnc(N3C[C@H]4[C@@H](CCN4c4ccccc4)C3)c2C1 ZINC000241644294 464455159 /nfs/dbraw/zinc/45/51/59/464455159.db2.gz PPTCQHCBNJUHBN-KXBFYZLASA-N 1 0 335.455 2.180 50 0 EEAARO Cc1cc(N)ncc1-c1ccc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000426497069 467143053 /nfs/dbraw/zinc/14/30/53/467143053.db2.gz BTSLUSRBQJTXOZ-KRWDZBQOSA-N 1 0 336.439 2.559 50 0 EEAARO CN(CCC[NH+]1CCCCCC1)c1cc([C@H]2CCOC2)nc(N)n1 ZINC000426669172 467144491 /nfs/dbraw/zinc/14/44/91/467144491.db2.gz WAZDDRWVWQVEGT-HNNXBMFYSA-N 1 0 333.480 2.265 50 0 EEAARO CC[C@@H](CNC(=O)N1CCC(O)(C[NH+](C)C)CC1)Cc1ccccc1 ZINC000584884174 468954103 /nfs/dbraw/zinc/95/41/03/468954103.db2.gz XRQOTCPGECWGQU-QGZVFWFLSA-N 1 0 347.503 2.353 50 0 EEAARO C[C@@H](c1ccncc1)N(C)C(=O)NCCCOC1CC[NH+](C)CC1 ZINC000584897511 468959062 /nfs/dbraw/zinc/95/90/62/468959062.db2.gz MOTVLEDELNCZAB-HNNXBMFYSA-N 1 0 334.464 2.285 50 0 EEAARO Cc1nc(-c2ccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)cc2)n(C)n1 ZINC000584902830 468959564 /nfs/dbraw/zinc/95/95/64/468959564.db2.gz KDHFCSZDFWPWSC-KRWDZBQOSA-N 1 0 339.443 2.101 50 0 EEAARO CN(C)C(=O)c1cncc(N2CCC[N@@H+](C3CCCCC3)CC2)n1 ZINC000670435024 485640662 /nfs/dbraw/zinc/64/06/62/485640662.db2.gz UKIFRFWLOSUEBM-UHFFFAOYSA-N 1 0 331.464 2.023 50 0 EEAARO Cn1ccc(C2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)cc1=O ZINC001772703625 1179287162 /nfs/dbraw/zinc/28/71/62/1179287162.db2.gz YRALPLSZKPPTFR-UHFFFAOYSA-N 1 0 345.487 2.357 50 0 EEAARO Cc1nn(-c2ccccc2)c(C)c1C[NH+]1CCC([C@@H](O)CO)CC1 ZINC001772703520 1179288432 /nfs/dbraw/zinc/28/84/32/1179288432.db2.gz 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Cc1ccccc1-n1cc(C2=CC[N@H+](CCn3cc[nH]c3=O)CC2)cn1 ZINC000067908467 215247216 /nfs/dbraw/zinc/24/72/16/215247216.db2.gz LILQSBGPOXPTGC-UHFFFAOYSA-N 1 0 349.438 2.460 50 0 EEAARO Cc1ccc(NC(=O)NCC[C@H]2C[N@@H+](C3CCOCC3)CCO2)cc1 ZINC000067946588 215256247 /nfs/dbraw/zinc/25/62/47/215256247.db2.gz VTYRLSGFUHRTTG-SFHVURJKSA-N 1 0 347.459 2.386 50 0 EEAARO COCC[N@@H+](Cc1cccc(OC)c1)C[C@H](O)COCc1ccco1 ZINC000036100137 213066806 /nfs/dbraw/zinc/06/68/06/213066806.db2.gz DMMKNEHCLZIVJP-KRWDZBQOSA-N 1 0 349.427 2.314 50 0 EEAARO COc1ccc(-c2noc([C@@H]3CCC[N@@H+]3C3CCOCC3)n2)cn1 ZINC000035425876 213027351 /nfs/dbraw/zinc/02/73/51/213027351.db2.gz YSWYYLGEXUWANL-AWEZNQCLSA-N 1 0 330.388 2.456 50 0 biogenic,in-vitro EEAARO Cc1cccc(N2CC[NH+](CCc3nc([C@@H]4CCOC4)no3)CC2)c1 ZINC000096164509 237056161 /nfs/dbraw/zinc/05/61/61/237056161.db2.gz LVZVADBZSOLSSM-MRXNPFEDSA-N 1 0 342.443 2.247 50 0 EEAARO Cc1cc(C)n(C[C@@H](C)Nc2nc(-c3ccncc3)nc3c2C[NH2+]C3)n1 ZINC000072140502 216027515 /nfs/dbraw/zinc/02/75/15/216027515.db2.gz QHWRUQLSHVGFBC-CYBMUJFWSA-N 1 0 349.442 2.456 50 0 EEAARO NC(=O)c1cccc(C[C@@H]2CCN(C(=O)C[NH+]3CCCCCC3)C2)c1 ZINC000072134378 216023170 /nfs/dbraw/zinc/02/31/70/216023170.db2.gz SRZOLRJMMMGKJR-KRWDZBQOSA-N 1 0 343.471 2.053 50 0 EEAARO O=C(Cc1cccnc1)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072166790 216055072 /nfs/dbraw/zinc/05/50/72/216055072.db2.gz MKXPQODUTKNUMM-FQEVSTJZSA-N 1 0 335.451 2.326 50 0 EEAARO Cc1cc(NCC2([NH+]3CCN(C)CC3)CCCC2)n2nccc2n1 ZINC000072407739 216198351 /nfs/dbraw/zinc/19/83/51/216198351.db2.gz GZZSNAGNUOQRAG-UHFFFAOYSA-N 1 0 328.464 2.010 50 0 EEAARO CC(C)(O)CCc1ccc(C[NH+]2CCC3(CNC(=O)C3)CC2)cc1 ZINC000072426574 216217958 /nfs/dbraw/zinc/21/79/58/216217958.db2.gz XHDBPZMNQLURDO-UHFFFAOYSA-N 1 0 330.472 2.492 50 0 EEAARO C[NH+]1CCC(CC(=O)NCc2ccc(CN3CCCC3=O)cc2)CC1 ZINC000072436946 216232289 /nfs/dbraw/zinc/23/22/89/216232289.db2.gz PXGRUPQWRVQXEI-UHFFFAOYSA-N 1 0 343.471 2.157 50 0 EEAARO Cc1nn(-c2ccccc2)cc1-c1ccnc(N2CC[NH+](C)CC2)n1 ZINC000072461898 216243791 /nfs/dbraw/zinc/24/37/91/216243791.db2.gz BPEPUVCSIHOYTL-UHFFFAOYSA-N 1 0 334.427 2.390 50 0 EEAARO COc1c(F)ccc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)c1F ZINC000072468026 216247375 /nfs/dbraw/zinc/24/73/75/216247375.db2.gz IWPJJFXOFYFRFB-UHFFFAOYSA-N 1 0 347.365 2.253 50 0 EEAARO COC1CCN(c2nc(C3CCCC3)nc3c2CC[NH2+]CC3)CC1 ZINC000072476354 216254581 /nfs/dbraw/zinc/25/45/81/216254581.db2.gz BWFMRMOGXAWTNR-UHFFFAOYSA-N 1 0 330.476 2.438 50 0 EEAARO COc1cc(Cl)ccc1C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073132893 216353840 /nfs/dbraw/zinc/35/38/40/216353840.db2.gz MDJIOLYFKSUQIG-UHFFFAOYSA-N 1 0 326.824 2.189 50 0 EEAARO CCn1c(CN2CC[NH+](CC)CC2)nc2cc(NC(C)=O)ccc21 ZINC000022936151 212337380 /nfs/dbraw/zinc/33/73/80/212337380.db2.gz BIPQNEKGBFEIBB-UHFFFAOYSA-N 1 0 329.448 2.152 50 0 EEAARO Cc1noc(-c2ccc3c(c2)OCO3)c1C(=O)NCCC[NH+](C)C ZINC000022342141 212291788 /nfs/dbraw/zinc/29/17/88/212291788.db2.gz LZRXOJFZELBGAE-UHFFFAOYSA-N 1 0 331.372 2.060 50 0 EEAARO Cc1cccc(CNC(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)c1C ZINC000426372146 241267367 /nfs/dbraw/zinc/26/73/67/241267367.db2.gz BFYNWESHGJFRCH-IBGZPJMESA-N 1 0 345.487 2.434 50 0 EEAARO C[N@@H+]1CCC[C@H](CNC(=O)N2CCC(O)(c3ccccc3)CC2)C1 ZINC000426412184 241279857 /nfs/dbraw/zinc/27/98/57/241279857.db2.gz GTHMNIWCWYZUBK-MRXNPFEDSA-N 1 0 331.460 2.021 50 0 EEAARO O=C([C@@H]1CC[NH2+]C1)N1CCN(c2ccccc2-c2ccccc2)C(=O)C1 ZINC000426484433 241294133 /nfs/dbraw/zinc/29/41/33/241294133.db2.gz KHBFUFMRLMMAOE-QGZVFWFLSA-N 1 0 349.434 2.138 50 0 EEAARO CC[C@@H](Sc1nnc(C2CC[NH2+]CC2)n1C)C(=O)NC(C)(C)C ZINC000426489772 241297736 /nfs/dbraw/zinc/29/77/36/241297736.db2.gz REGILADKYNQCTB-GFCCVEGCSA-N 1 0 339.509 2.068 50 0 EEAARO O=C(NCC[C@H]1CC[N@H+](Cc2ccccc2)C1)N1CCC(O)CC1 ZINC000426584167 241313339 /nfs/dbraw/zinc/31/33/39/241313339.db2.gz XNTQTORTZOZLCH-KRWDZBQOSA-N 1 0 331.460 2.065 50 0 EEAARO O=C(N[C@@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnc2cccnn21 ZINC000426597189 241313880 /nfs/dbraw/zinc/31/38/80/241313880.db2.gz HJLZASOIMNVMLF-CQSZACIVSA-N 1 0 327.432 2.256 50 0 EEAARO C[NH+](C)[C@H]1CCN(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000219109942 241364957 /nfs/dbraw/zinc/36/49/57/241364957.db2.gz UWHYWXXGQCLXLN-INIZCTEOSA-N 1 0 345.418 2.338 50 0 EEAARO Cc1nccn1CCN(C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000244874914 243095380 /nfs/dbraw/zinc/09/53/80/243095380.db2.gz XJNBAFKHHYUWTK-HXUWFJFHSA-N 1 0 342.487 2.414 50 0 EEAARO CCn1ccnc1CN1CC[N@H+](Cc2ccc(C)cc2)[C@@H](CCO)C1 ZINC000020778057 212170157 /nfs/dbraw/zinc/17/01/57/212170157.db2.gz AVIYFVKHELDAQN-IBGZPJMESA-N 1 0 342.487 2.280 50 0 EEAARO CN(CCCC[NH+]1CCOCC1)c1nncc(-c2ccc(F)cc2)n1 ZINC000019789809 212066701 /nfs/dbraw/zinc/06/67/01/212066701.db2.gz GQFJKVFXZSOBAM-UHFFFAOYSA-N 1 0 345.422 2.226 50 0 EEAARO CCOc1ccc(Br)cc1C[NH2+]CCN1CCOCC1 ZINC000019370666 212022968 /nfs/dbraw/zinc/02/29/68/212022968.db2.gz HXAYVWKZNPTEEQ-UHFFFAOYSA-N 1 0 343.265 2.270 50 0 EEAARO CC[NH+](CC)C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012470966 211390298 /nfs/dbraw/zinc/39/02/98/211390298.db2.gz BIHVFJRHNKAHCV-KRWDZBQOSA-N 1 0 326.387 2.160 50 0 EEAARO COCCC[C@@]1(CO)CCCN(c2cc(C)[nH+]c(N3CCCC3)n2)C1 ZINC000091390791 218000465 /nfs/dbraw/zinc/00/04/65/218000465.db2.gz GYEISJBZVFAZJV-IBGZPJMESA-N 1 0 348.491 2.391 50 0 EEAARO Cc1cc(C[NH+]2CCC3(CCC(=O)N(C[C@H]4CCCO4)C3)CC2)on1 ZINC000091770122 218063628 /nfs/dbraw/zinc/06/36/28/218063628.db2.gz WTEZVWDGOOVGHV-MRXNPFEDSA-N 1 0 347.459 2.367 50 0 EEAARO COc1cccc(C[NH+]2CCC3(CCC(=O)N(C[C@@H](C)O)C3)CC2)c1 ZINC000091933972 218091768 /nfs/dbraw/zinc/09/17/68/218091768.db2.gz HDGFVGILHRIJTL-MRXNPFEDSA-N 1 0 346.471 2.281 50 0 EEAARO COc1ccnc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CCC2)c1 ZINC000091950541 218093509 /nfs/dbraw/zinc/09/35/09/218093509.db2.gz XOHFINXCYSCLEW-DOTOQJQBSA-N 1 0 329.444 2.313 50 0 EEAARO CCn1nc(C)c(CN2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)c1C ZINC000091974190 218096758 /nfs/dbraw/zinc/09/67/58/218096758.db2.gz FFIIUEBDLCTYGA-RTBURBONSA-N 1 0 348.535 2.436 50 0 EEAARO Cc1cc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)c(=O)[nH]c1C ZINC000092107376 218120669 /nfs/dbraw/zinc/12/06/69/218120669.db2.gz YHBPNPMZNWWEBZ-UHFFFAOYSA-N 1 0 349.500 2.082 50 0 EEAARO Cc1nc(CCNC(=O)CC[C@H]2CCCC[N@H+]2C)nc2c1CCC2 ZINC000095352212 218286353 /nfs/dbraw/zinc/28/63/53/218286353.db2.gz LYSOTYSMAJDLJZ-OAHLLOKOSA-N 1 0 330.476 2.197 50 0 EEAARO CC[C@@H]1CN(C(=O)c2ccc(Cn3cccn3)o2)CC[N@@H+]1C(C)C ZINC000095376544 218308955 /nfs/dbraw/zinc/30/89/55/218308955.db2.gz FFJQQZUTDZBXKM-OAHLLOKOSA-N 1 0 330.432 2.469 50 0 EEAARO Cc1ccc([C@@H](C(=O)NCCCOC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000095382976 218315911 /nfs/dbraw/zinc/31/59/11/218315911.db2.gz SRJFXKXCEQUUML-IBGZPJMESA-N 1 0 347.503 2.215 50 0 EEAARO CC1CC[NH+](CCCNC(=O)c2n[nH]c(=O)c3ccccc32)CC1 ZINC000008772790 211003508 /nfs/dbraw/zinc/00/35/08/211003508.db2.gz SDYXNBZAEHUNJL-UHFFFAOYSA-N 1 0 328.416 2.187 50 0 EEAARO [NH3+]Cc1ccc(CNC(=O)c2cnc(CN3CCCC3)s2)cc1 ZINC000097334268 219012414 /nfs/dbraw/zinc/01/24/14/219012414.db2.gz VURNDZARIUXNMP-UHFFFAOYSA-N 1 0 330.457 2.128 50 0 EEAARO O=C(c1cn(C[C@@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]1c1ccccc1 ZINC000097532195 219034652 /nfs/dbraw/zinc/03/46/52/219034652.db2.gz PUGYIGSIGAHRCC-QAPCUYQASA-N 1 0 339.443 2.255 50 0 EEAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]C2CCCCCCC2)CN1C(C)C ZINC000299781637 258090022 /nfs/dbraw/zinc/09/00/22/258090022.db2.gz DXIQIFXXJHOUAU-MSOLQXFVSA-N 1 0 339.524 2.303 50 0 EEAARO Cc1nccn1[C@@H](C)CC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000299798557 258102344 /nfs/dbraw/zinc/10/23/44/258102344.db2.gz SIJGGSQRYQCMEZ-AWEZNQCLSA-N 1 0 336.505 2.182 50 0 EEAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)Nc1cccnc1Cl ZINC000299802542 258105676 /nfs/dbraw/zinc/10/56/76/258105676.db2.gz YYFYRXGMXZXZQX-GFCCVEGCSA-N 1 0 326.828 2.310 50 0 EEAARO O=C(CC1CCOCC1)N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1 ZINC000189027882 160134606 /nfs/dbraw/zinc/13/46/06/160134606.db2.gz SJOZNUCLNWJOOP-PBHICJAKSA-N 1 0 338.398 2.343 50 0 EEAARO Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000122334309 222063776 /nfs/dbraw/zinc/06/37/76/222063776.db2.gz MDMIVNCEMTXOOX-RDJZCZTQSA-N 1 0 329.444 2.185 50 0 EEAARO C[NH+](C)[C@@H]1Cc2ccccc2[C@H]1NC(=O)c1cn2ccsc2n1 ZINC000091831146 273811549 /nfs/dbraw/zinc/81/15/49/273811549.db2.gz RFFULKRJWIZUHT-HUUCEWRRSA-N 1 0 326.425 2.353 50 0 EEAARO [NH3+][C@@H]1CCN(S(=O)(=O)c2c(Cl)cccc2C(F)(F)F)C1 ZINC000123582600 295318993 /nfs/dbraw/zinc/31/89/93/295318993.db2.gz QNXHERHXVPJKOH-SSDOTTSWSA-N 1 0 328.743 2.081 50 0 EEAARO COc1ccc(CC[NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000000181395 462545116 /nfs/dbraw/zinc/54/51/16/462545116.db2.gz UMCHBZZFLHHLSY-QGZVFWFLSA-N 1 0 342.370 2.299 50 0 EEAARO O=C(Cn1c2ccccc2nc1C(F)(F)F)NCC[NH+]1CCCC1 ZINC000000612423 462572429 /nfs/dbraw/zinc/57/24/29/462572429.db2.gz WKAGDRRKXMLPBT-UHFFFAOYSA-N 1 0 340.349 2.267 50 0 EEAARO COC(=O)c1[nH]c2cccc(OC)c2c1NC(=O)CC[NH+]1CCCC1 ZINC000005164311 462647859 /nfs/dbraw/zinc/64/78/59/462647859.db2.gz HBGICRATFRENRH-UHFFFAOYSA-N 1 0 345.399 2.388 50 0 EEAARO O=C(NCCn1cccn1)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000114971851 462696470 /nfs/dbraw/zinc/69/64/70/462696470.db2.gz HBTFJAVRPQDBGG-UHFFFAOYSA-N 1 0 333.480 2.181 50 0 EEAARO CN1CCC([N@H+](C)C[C@@H](O)COCc2ccccc2Cl)CC1 ZINC000006936248 462713065 /nfs/dbraw/zinc/71/30/65/462713065.db2.gz MZQJGZAZIPQTPV-MRXNPFEDSA-N 1 0 326.868 2.244 50 0 EEAARO CC(C)[NH+]1CCC(C(=O)N2CCC([C@@H](O)c3ccccn3)CC2)CC1 ZINC000065404775 462765527 /nfs/dbraw/zinc/76/55/27/462765527.db2.gz PGHOWBXEZDPFFH-LJQANCHMSA-N 1 0 345.487 2.474 50 0 EEAARO CCN(CC[NH+]1CCCCCC1)C(=O)c1nc2nc(C)cc(C)n2n1 ZINC000065407171 462766442 /nfs/dbraw/zinc/76/64/42/462766442.db2.gz BZENBVIXWHWARW-UHFFFAOYSA-N 1 0 344.463 2.079 50 0 EEAARO CC(C)Oc1cc(NC2CC[NH+](Cc3cccnc3)CC2)nc(N)n1 ZINC000065460807 462774436 /nfs/dbraw/zinc/77/44/36/462774436.db2.gz GTNPTSZGZGDKDH-UHFFFAOYSA-N 1 0 342.447 2.318 50 0 EEAARO COc1cc2c(cc1C[NH2+][C@@H]1CCc3nnc(C)n3C1)O[C@@H](C)C2 ZINC000065467252 462775841 /nfs/dbraw/zinc/77/58/41/462775841.db2.gz JHWOQFNJNPTHTR-XHDPSFHLSA-N 1 0 328.416 2.023 50 0 EEAARO Cc1nc2ccc(S(=O)(=O)NCC3=CCC[N@@H+](C)C3)cc2s1 ZINC000065492022 462780860 /nfs/dbraw/zinc/78/08/60/462780860.db2.gz ZZNOPOMURPLIEK-UHFFFAOYSA-N 1 0 337.470 2.145 50 0 EEAARO CCC[NH+]1CCC(NS(=O)(=O)c2ccc(OCC)cc2)CC1 ZINC000014252370 462921619 /nfs/dbraw/zinc/92/16/19/462921619.db2.gz DLZIPYPXKYEVPD-UHFFFAOYSA-N 1 0 326.462 2.238 50 0 EEAARO C[N@@H+]1CC[C@H]2CN(C(=O)c3ccc(-c4noc(C5CC5)n4)cc3)C[C@H]21 ZINC000077341119 462970994 /nfs/dbraw/zinc/97/09/94/462970994.db2.gz LAJXXWZHMATSME-JKSUJKDBSA-N 1 0 338.411 2.390 50 0 EEAARO COc1cccc(OC[C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC000077424460 462983768 /nfs/dbraw/zinc/98/37/68/462983768.db2.gz ZRFOUTNPHDMQLQ-MRXNPFEDSA-N 1 0 332.444 2.408 50 0 EEAARO Cc1nnnn1CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccccc2)no1 ZINC000077503651 462995959 /nfs/dbraw/zinc/99/59/59/462995959.db2.gz 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FXYBCHPHOFOLAN-SFHVURJKSA-N 1 0 342.443 2.043 50 0 EEAARO Cc1c(Cl)cccc1-n1nc(C2CCOCC2)nc1[C@@H](N)CC[NH3+] ZINC000097679794 463361241 /nfs/dbraw/zinc/36/12/41/463361241.db2.gz RKGKQJZRFUXLCW-AWEZNQCLSA-N 1 0 349.866 2.472 50 0 EEAARO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000097831123 463363937 /nfs/dbraw/zinc/36/39/37/463363937.db2.gz GQDSEWBEDNVWMF-UHFFFAOYSA-N 1 0 344.459 2.400 50 0 EEAARO O=S(=O)(NCC1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000070922049 463394528 /nfs/dbraw/zinc/39/45/28/463394528.db2.gz SMYMKCVRLVZMSR-UHFFFAOYSA-N 1 0 349.431 2.416 50 0 EEAARO CC(C)CN1CCO[C@@H](C[NH2+][C@H](C)CC(=O)Nc2ccccc2)C1 ZINC000103268870 463399403 /nfs/dbraw/zinc/39/94/03/463399403.db2.gz CUOTYXSYJGSYNC-AEFFLSMTSA-N 1 0 333.476 2.350 50 0 EEAARO CC(C)[C@H]1CN(C(=O)CCC[NH3+])CCC(=O)N1Cc1ccc(F)cc1 ZINC000071752184 463422192 /nfs/dbraw/zinc/42/21/92/463422192.db2.gz LBGIEORMMHUAOR-QGZVFWFLSA-N 1 0 349.450 2.150 50 0 EEAARO C[C@@H]1C[NH2+]CCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000124722689 463457090 /nfs/dbraw/zinc/45/70/90/463457090.db2.gz GEZFGGSXYOAIAH-GFCCVEGCSA-N 1 0 333.432 2.236 50 0 EEAARO O=C([O-])[C@@H]1CCC[N@@H+](C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000082098644 463514626 /nfs/dbraw/zinc/51/46/26/463514626.db2.gz LFEHIQHVUNFDGB-QGZVFWFLSA-N 1 0 328.456 2.415 50 0 EEAARO C[C@H](OC[C@H]1CCCCO1)C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000106575640 463527300 /nfs/dbraw/zinc/52/73/00/463527300.db2.gz IUNKOBKCLWNWIL-QFBILLFUSA-N 1 0 346.471 2.135 50 0 EEAARO CN(C(=O)c1cnn(Cc2ccccc2Cl)c1)C1CC[NH2+]CC1 ZINC000125469960 463547211 /nfs/dbraw/zinc/54/72/11/463547211.db2.gz ZIBFWHSVGSVORV-UHFFFAOYSA-N 1 0 332.835 2.409 50 0 EEAARO O=C(CSCC[NH+]1CCCC1)NC[C@H]1OCCc2ccccc21 ZINC000221192459 464120332 /nfs/dbraw/zinc/12/03/32/464120332.db2.gz SPFYDXIHMZDKBH-QGZVFWFLSA-N 1 0 334.485 2.246 50 0 EEAARO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000225342932 464156061 /nfs/dbraw/zinc/15/60/61/464156061.db2.gz CZNBAPLUMJUZPN-NVXWUHKLSA-N 1 0 345.418 2.394 50 0 EEAARO CN1CCc2ncnc(N3C[C@H]4CC[N@H+](Cc5ccccc5)[C@H]4C3)c2C1 ZINC000248095723 464729004 /nfs/dbraw/zinc/72/90/04/464729004.db2.gz YABLODMZIQCXQM-XLIONFOSSA-N 1 0 349.482 2.175 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCC[C@H]2CCCOC2)CC1 ZINC000534591610 468267130 /nfs/dbraw/zinc/26/71/30/468267130.db2.gz IYVYQCRHZHZJGX-QGZVFWFLSA-N 1 0 346.475 2.428 50 0 EEAARO COC(=O)[C@]1(C[NH3+])C[C@]12C[C@H]1C[C@H](C)[C@@H](C2)N1C(=O)OC(C)(C)C ZINC000601014754 468718642 /nfs/dbraw/zinc/71/86/42/468718642.db2.gz BLUFILRTXGNNGN-DQCCPPGYSA-N 1 0 338.448 2.303 50 0 EEAARO CC(C)Cc1cc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCOCC3)C2)on1 ZINC000584889948 468956373 /nfs/dbraw/zinc/95/63/73/468956373.db2.gz BCMSMPZRWBNMQR-OAHLLOKOSA-N 1 0 349.475 2.380 50 0 EEAARO CCCn1cnnc1[C@@H](C)[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC000670469972 485654466 /nfs/dbraw/zinc/65/44/66/485654466.db2.gz ACLYYBYKTCGSEV-CQSZACIVSA-N 1 0 342.447 2.039 50 0 EEAARO C[C@H](Cc1cccs1)NC(=O)c1cn([C@H]2CC[C@@H]([NH3+])CC2)nn1 ZINC000244763900 524753714 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[NH3+]CCc1nnc(NC2CCN(Cc3ccccc3Cl)CC2)o1 ZINC001772710479 1179300286 /nfs/dbraw/zinc/30/02/86/1179300286.db2.gz RPPUDTDHJZLBOU-UHFFFAOYSA-N 1 0 335.839 2.301 50 0 EEAARO CC(C)(C)C[NH2+]C[C@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000012474188 1194563832 /nfs/dbraw/zinc/56/38/32/1194563832.db2.gz ZIGZUKRSKUJFED-GOSISDBHSA-N 1 0 340.414 2.454 50 0 EEAARO CC(C)Cc1nc(CN(C)c2cc(C3CC[NH2+]CC3)ncn2)no1 ZINC000067909938 1250171373 /nfs/dbraw/zinc/17/13/73/1250171373.db2.gz KYHNSRWNHWQRMG-UHFFFAOYSA-N 1 0 330.436 2.162 50 0 EEAARO CCC[C@]1(CO)C[N@@H+](C2CCN(Cc3ccccc3)CC2)CC[C@@H]1O ZINC001616081748 1367034735 /nfs/dbraw/zinc/03/47/35/1367034735.db2.gz TVOWUMIUWNQIOY-LEWJYISDSA-N 1 0 346.515 2.496 50 0 EEAARO OC[C@]12CN(Cc3ccncc3)C[C@@H]1C[N@H+](Cc1cccs1)C2 ZINC001772808577 1410369362 /nfs/dbraw/zinc/36/93/62/1410369362.db2.gz UYPWYZJUXDZUDM-SJLPKXTDSA-N 1 0 329.469 2.069 50 0 EEAARO CN(CC[NH+](C)C)C[C@H]1CC[C@@H](Cc2nccc(C(F)(F)F)n2)O1 ZINC000952854546 796033674 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CO[C@H](C)c1cccc(-c2cc(N3CC[NH+](C)CC3)nc(N)n2)c1 ZINC000097681926 219047679 /nfs/dbraw/zinc/04/76/79/219047679.db2.gz WNEWUDBGJGSMCF-CYBMUJFWSA-N 1 0 327.432 2.185 50 0 EEAARO CCOc1cc2c(cc1CN1CCN([C@@H]3CC[NH2+]C3)CC1)CCC2 ZINC000097766837 219056005 /nfs/dbraw/zinc/05/60/05/219056005.db2.gz FUOXFKHAIJYKRI-LJQANCHMSA-N 1 0 329.488 2.054 50 0 EEAARO Cc1cc(=O)c2cccc(C(=O)N3CC[C@]4(CC[N@@H+](C)C4)C3)c2[nH]1 ZINC000097805598 219057830 /nfs/dbraw/zinc/05/78/30/219057830.db2.gz CSAMWAIKHHJLSB-IBGZPJMESA-N 1 0 325.412 2.004 50 0 EEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@H]1CCc2c1cccc2F ZINC000065474477 282272052 /nfs/dbraw/zinc/27/20/52/282272052.db2.gz XAOOGIDQCGHQHT-SFHVURJKSA-N 1 0 344.434 2.481 50 0 EEAARO C[C@@H]([NH2+]C1(CN2CCOCC2)CCCCC1)C(=O)NC1CCCC1 ZINC000065394435 214886148 /nfs/dbraw/zinc/88/61/48/214886148.db2.gz VOVNXJARGJKYRI-MRXNPFEDSA-N 1 0 337.508 2.058 50 0 EEAARO CCOC(=O)c1cc(C(=O)OCC)c([NH2+]Nc2ccccc2)[nH]c1=O ZINC000004002688 210098654 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CCc1ccccc1C(=O)NCC[C@H]1C[N@@H+](C2CCOCC2)CCO1 ZINC000067805658 215218173 /nfs/dbraw/zinc/21/81/73/215218173.db2.gz MLEHFCHEOXZMDA-SFHVURJKSA-N 1 0 346.471 2.249 50 0 EEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NCc3ccc(C)o3)cnn2c1 ZINC000067852272 215231513 /nfs/dbraw/zinc/23/15/13/215231513.db2.gz SKNPVLJIPCUEEB-UHFFFAOYSA-N 1 0 341.415 2.403 50 0 EEAARO COc1ccc(O)c(C(=O)NC[C@@H]2CCC[N@@H+](C3CCOCC3)C2)c1 ZINC000067880728 215239697 /nfs/dbraw/zinc/23/96/97/215239697.db2.gz BKAJWTPKJHENNX-AWEZNQCLSA-N 1 0 348.443 2.022 50 0 EEAARO Cc1noc2nc3c(c(C(=O)NC[C@@H]4CCC[N@@H+](C)C4)c12)CCC3 ZINC000067908489 215247575 /nfs/dbraw/zinc/24/75/75/215247575.db2.gz IIZZMRJHQRIQSU-LBPRGKRZSA-N 1 0 328.416 2.092 50 0 EEAARO C[NH+]1CCC(N(CCc2ccccc2)C(=O)N[C@H]2CCOC2)CC1 ZINC000426381460 282696580 /nfs/dbraw/zinc/69/65/80/282696580.db2.gz NXOOHALPPUKIPI-KRWDZBQOSA-N 1 0 331.460 2.124 50 0 EEAARO COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@@H]2CC2N=NC(=O)N2C)ccn1 ZINC000685940455 539988928 /nfs/dbraw/zinc/98/89/28/539988928.db2.gz AVGPQZBXIDGDSP-BPLDGKMQSA-N 1 0 345.447 2.376 50 0 EEAARO CC(C)(CN1CCOCC1)C[NH+]1CCN(Cc2cccc(F)c2)CC1 ZINC000072133890 216023991 /nfs/dbraw/zinc/02/39/91/216023991.db2.gz BYGULRUKFGOIDG-UHFFFAOYSA-N 1 0 349.494 2.302 50 0 EEAARO Cc1ccc([C@H]2CN(C(=O)c3ccn[nH]3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072144489 216030737 /nfs/dbraw/zinc/03/07/37/216030737.db2.gz SPTFYTOVYXEFJL-BHIYHBOVSA-N 1 0 336.439 2.421 50 0 EEAARO COc1cccc(C[NH+]2CCC3(C[C@H](C(=O)[O-])[N@H+](C)C3)CC2)c1OC ZINC000072163371 216051780 /nfs/dbraw/zinc/05/17/80/216051780.db2.gz KRWRBGDPPPWQGW-OAHLLOKOSA-N 1 0 348.443 2.075 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)c2cccc3ccnn32)CC1 ZINC000072164233 216052939 /nfs/dbraw/zinc/05/29/39/216052939.db2.gz VHBKIIACRMVRON-UHFFFAOYSA-N 1 0 335.411 2.390 50 0 EEAARO CC[N@@H+]1CCC[C@@H](c2nccn2-c2ccc(Oc3nn[nH]n3)cc2)C1 ZINC000072164903 216054827 /nfs/dbraw/zinc/05/48/27/216054827.db2.gz FWZQNNVNBWYZTA-CYBMUJFWSA-N 1 0 339.403 2.377 50 0 EEAARO Cc1nc(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)c2ccccn12 ZINC000072167580 216057676 /nfs/dbraw/zinc/05/76/76/216057676.db2.gz WAMCICJXQMHDSF-KRWDZBQOSA-N 1 0 342.443 2.014 50 0 EEAARO Cc1ccc2nc(C[N@H+]3CCC[C@]4(CN(C)C(=O)O4)CC3)cn2c1 ZINC000072169949 216060994 /nfs/dbraw/zinc/06/09/94/216060994.db2.gz QEKKDOIWKPOGBQ-GOSISDBHSA-N 1 0 328.416 2.449 50 0 EEAARO C[NH+](C)C[C@]1(O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000072169444 216061110 /nfs/dbraw/zinc/06/11/10/216061110.db2.gz JDIBZUZLQUPZRR-OAHLLOKOSA-N 1 0 331.243 2.061 50 0 EEAARO c1ccc(C2(CNc3ncnc4c3CC[NH2+]CC4)CCOCC2)cc1 ZINC000072426734 216217019 /nfs/dbraw/zinc/21/70/19/216217019.db2.gz KGBFJWHKDMPVPO-UHFFFAOYSA-N 1 0 338.455 2.325 50 0 EEAARO O=C(C[N@@H+]1CC[C@H](c2ccccc2)C1)NCc1cn2ccccc2n1 ZINC000216440472 241192653 /nfs/dbraw/zinc/19/26/53/241192653.db2.gz IZCOEAZQYQLQLB-KRWDZBQOSA-N 1 0 334.423 2.440 50 0 EEAARO O=C(NC[C@]1(O)CC[NH2+]C1)c1cccc(-c2cc(Cl)ccc2O)c1 ZINC000426381845 241272534 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CCNc1nc(C)c(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(C)o3)C2)s1 ZINC000092078281 218115718 /nfs/dbraw/zinc/11/57/18/218115718.db2.gz LGBDXWPBWYXPGS-RYUDHWBXSA-N 1 0 334.445 2.352 50 0 EEAARO Cn1cccc1C(=O)N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095355164 218289395 /nfs/dbraw/zinc/28/93/95/218289395.db2.gz LVNIGSJWZAHKQV-UHFFFAOYSA-N 1 0 343.475 2.193 50 0 EEAARO CSc1ncc(CNC(=O)[C@H]2CCC[N@@H+](C3CCCC3)C2)n1C ZINC000095371478 218304114 /nfs/dbraw/zinc/30/41/14/218304114.db2.gz QVDORVOPABKJMZ-ZDUSSCGKSA-N 1 0 336.505 2.413 50 0 EEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCC(=O)c1ccccc1)C2 ZINC000095378754 218311104 /nfs/dbraw/zinc/31/11/04/218311104.db2.gz SNINXJVTHDGRPZ-SJLPKXTDSA-N 1 0 344.455 2.219 50 0 EEAARO Cc1nc(CC2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)no1 ZINC000095379222 218311119 /nfs/dbraw/zinc/31/11/19/218311119.db2.gz MQTUIMUFKPILJZ-INIZCTEOSA-N 1 0 334.464 2.424 50 0 EEAARO O=C(NC[C@@H](c1ccsc1)[NH+]1CCCCCC1)C(=O)NC1CC1 ZINC000008893712 211015955 /nfs/dbraw/zinc/01/59/55/211015955.db2.gz KXYQPYFCXDJPJZ-HNNXBMFYSA-N 1 0 335.473 2.060 50 0 EEAARO COCCN(C(=O)[C@@H](c1ccccc1C)N(C)C)C1CC[NH+](C)CC1 ZINC000095388276 218320265 /nfs/dbraw/zinc/32/02/65/218320265.db2.gz PTWLWNVWQRPCOM-LJQANCHMSA-N 1 0 347.503 2.167 50 0 EEAARO Cc1ccc([C@H](C(=O)NCCCOC2CC[NH+](C)CC2)N(C)C)cc1 ZINC000095382977 218315847 /nfs/dbraw/zinc/31/58/47/218315847.db2.gz SRJFXKXCEQUUML-LJQANCHMSA-N 1 0 347.503 2.215 50 0 EEAARO CC(C)NC(=O)c1ccc(NC(=O)N2CC[C@H](C[NH3+])C2)cc1Cl ZINC000096151984 218628843 /nfs/dbraw/zinc/62/88/43/218628843.db2.gz KPMPZTLZFNZGKN-LLVKDONJSA-N 1 0 338.839 2.291 50 0 EEAARO CN1CCCN(C(=O)Nc2c(F)cccc2F)CC12CC[NH2+]CC2 ZINC000097594832 219036959 /nfs/dbraw/zinc/03/69/59/219036959.db2.gz XRCYRBSRNBMBIV-UHFFFAOYSA-N 1 0 338.402 2.256 50 0 EEAARO C[C@H](CO[C@H]1CCOC1)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000267995193 256103350 /nfs/dbraw/zinc/10/33/50/256103350.db2.gz RQQGEOUASHJUHM-APWZRJJASA-N 1 0 346.471 2.209 50 0 EEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Cc1coc2cc(C)cc(C)c12 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50 0 EEAARO COC[C@@H]1CCCC[N@@H+]1Cc1cc(Cl)ccc1OCC(N)=O ZINC000214991777 277251324 /nfs/dbraw/zinc/25/13/24/277251324.db2.gz TXTLMYLFSDJJRE-AWEZNQCLSA-N 1 0 326.824 2.205 50 0 EEAARO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cc3ncccn3n2)C1 ZINC000244872813 281391812 /nfs/dbraw/zinc/39/18/12/281391812.db2.gz WETVGSBEYMDVKR-INIZCTEOSA-N 1 0 349.438 2.257 50 0 EEAARO CCn1cc(-c2cc(C(F)(F)F)nc(N3CC[NH2+]CC3)n2)c(C)n1 ZINC000002554509 462595131 /nfs/dbraw/zinc/59/51/31/462595131.db2.gz ROHQCZRESREAAQ-UHFFFAOYSA-N 1 0 340.353 2.097 50 0 EEAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(OC)cc2)C1 ZINC000000454937 462564667 /nfs/dbraw/zinc/56/46/67/462564667.db2.gz BTFHUIJCWUJKTP-AWEZNQCLSA-N 1 0 334.416 2.299 50 0 EEAARO CC(C)CC(=O)NC(=S)Nc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000000556330 462570408 /nfs/dbraw/zinc/57/04/08/462570408.db2.gz IMGMFHIDHNUYTE-UHFFFAOYSA-N 1 0 334.489 2.298 50 0 EEAARO CC1CC[NH+](CCCNC(=O)[C@H]2CC(=O)N(C3CCCCC3)C2)CC1 ZINC000002941051 462608023 /nfs/dbraw/zinc/60/80/23/462608023.db2.gz 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CC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC ZINC000014742342 462931970 /nfs/dbraw/zinc/93/19/70/462931970.db2.gz UIZFBWURDJEJQH-HNNXBMFYSA-N 1 0 344.459 2.499 50 0 EEAARO CN(CCC[NH+](C)C)[C@@H]1CCCN(C(=O)CCc2ccccc2)C1 ZINC000014968128 462936896 /nfs/dbraw/zinc/93/68/96/462936896.db2.gz KBNZNEUBYCVOGB-LJQANCHMSA-N 1 0 331.504 2.494 50 0 EEAARO COc1cc(C)ccc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCO)C2)C1 ZINC000077339037 462971422 /nfs/dbraw/zinc/97/14/22/462971422.db2.gz JYMPXVSQJBTSGF-HXUWFJFHSA-N 1 0 346.471 2.201 50 0 EEAARO Cn1ccnc1C(=O)[C@H]1CCC[N@H+](Cc2cnn(C)c2C2CC2)C1 ZINC000077469844 462990309 /nfs/dbraw/zinc/99/03/09/462990309.db2.gz ILYMCOKOCWPKJN-AWEZNQCLSA-N 1 0 327.432 2.126 50 0 EEAARO Cc1cc(N2CCN(C(=O)C3CCCC3)CC2)nc(N2CCCC2)[nH+]1 ZINC000067622248 463027795 /nfs/dbraw/zinc/02/77/95/463027795.db2.gz BDOMQYKNGYAQEM-UHFFFAOYSA-N 1 0 343.475 2.224 50 0 EEAARO O=C(c1ccc(-n2cnnc2)cc1Cl)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067673444 463034917 /nfs/dbraw/zinc/03/49/17/463034917.db2.gz 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ZINC000097179440 463341177 /nfs/dbraw/zinc/34/11/77/463341177.db2.gz VGDACNYIYKRRCF-UHFFFAOYSA-N 1 0 336.505 2.197 50 0 EEAARO Cc1cc[nH+]c(NC[C@@H]2CCN(Cc3nnnn3-c3ccccc3)C2)c1 ZINC000097200725 463345606 /nfs/dbraw/zinc/34/56/06/463345606.db2.gz RDYQZNDAMQZHNF-INIZCTEOSA-N 1 0 349.442 2.300 50 0 EEAARO CC(C)[C@H]1CN(Cc2cnc(N(C)C)nc2)CCC[N@@H+]1CC1CC1 ZINC000071746162 463420218 /nfs/dbraw/zinc/42/02/18/463420218.db2.gz IBTCIGJEOJFVGF-GOSISDBHSA-N 1 0 331.508 2.485 50 0 EEAARO Cc1cccc(OC[C@H](O)C[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000071767433 463424066 /nfs/dbraw/zinc/42/40/66/463424066.db2.gz PUELRLVKTAMYLA-MRXNPFEDSA-N 1 0 329.396 2.296 50 0 EEAARO C[C@H](CNC(=O)c1cn(C)nc1C(F)(F)F)[N@@H+]1CCC[C@H](C)C1 ZINC000106514802 463518614 /nfs/dbraw/zinc/51/86/14/463518614.db2.gz GGWWOAOXCWVTSR-WDEREUQCSA-N 1 0 332.370 2.289 50 0 EEAARO Cc1cnn(C[C@H]2CCCC[N@@H+]2C[C@@H](O)COc2ccccc2)c1 ZINC000106784074 463535273 /nfs/dbraw/zinc/53/52/73/463535273.db2.gz FSPSIHKILCMNBZ-QZTJIDSGSA-N 1 0 329.444 2.486 50 0 EEAARO CCCCNC(=O)[C@@H]1CC[C@@H](C)N(Cc2nc([C@H](C)OC)no2)C1 ZINC000107067814 463557577 /nfs/dbraw/zinc/55/75/77/463557577.db2.gz KPSFDCTULSSTLT-HZSPNIEDSA-N 1 0 338.452 2.294 50 0 EEAARO OCCn1nccc1C1CC[NH+](Cc2cccc3c2OCCO3)CC1 ZINC000058381213 463590262 /nfs/dbraw/zinc/59/02/62/463590262.db2.gz CLGWZTUDOQPIMI-UHFFFAOYSA-N 1 0 343.427 2.026 50 0 EEAARO C[C@@H]1CCC[N@H+](CCCNC(=O)c2ccc(N3CCOCC3)cc2)C1 ZINC000058420098 463596048 /nfs/dbraw/zinc/59/60/48/463596048.db2.gz XFSIOHCFDIVKMJ-QGZVFWFLSA-N 1 0 345.487 2.375 50 0 EEAARO O=C(N[C@@H]1CC[N@H+](CC2CCCC2)C1)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC000110631322 463661000 /nfs/dbraw/zinc/66/10/00/463661000.db2.gz NZDCAFZJHQXUON-ZWKOTPCHSA-N 1 0 347.503 2.016 50 0 EEAARO O=C(CCc1c[nH]c2ccccc12)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000223495694 464144147 /nfs/dbraw/zinc/14/41/47/464144147.db2.gz SRONMJLLFOBSQX-ROUUACIJSA-N 1 0 327.428 2.080 50 0 EEAARO [NH3+][C@H]1CC[C@@H](NC(=O)Nc2ccnn2Cc2cccc(F)c2)CC1 ZINC000244866582 464465056 /nfs/dbraw/zinc/46/50/56/464465056.db2.gz VYOZWOFCQUFHOR-GASCZTMLSA-N 1 0 331.395 2.462 50 0 EEAARO C[N@H+](C[C@@H](O)COC[C@H]1COc2ccccc2O1)C1CCCCC1 ZINC000247958895 464718276 /nfs/dbraw/zinc/71/82/76/464718276.db2.gz DRQALNLPSNEALN-SJORKVTESA-N 1 0 335.444 2.468 50 0 EEAARO CN1C(=O)CCC12CC[NH+](CCC(=O)Nc1cccc(F)c1)CC2 ZINC000252509677 464975067 /nfs/dbraw/zinc/97/50/67/464975067.db2.gz YTHXSAPXQLNAQH-UHFFFAOYSA-N 1 0 333.407 2.241 50 0 EEAARO CC[C@H](C(=O)Nc1ccccc1)[NH+]1CCC2(CCC(=O)N2C)CC1 ZINC000299754950 465883243 /nfs/dbraw/zinc/88/32/43/465883243.db2.gz DIBMHLXAVQTZMZ-MRXNPFEDSA-N 1 0 329.444 2.491 50 0 EEAARO C/C=C(\C)C[NH+]1CCC2(CC[C@H](CNC(=O)c3ccn(C)n3)O2)CC1 ZINC000299769814 465883518 /nfs/dbraw/zinc/88/35/18/465883518.db2.gz QQBFUCDCGXCCEV-UDCCBSLUSA-N 1 0 346.475 2.130 50 0 EEAARO CC(C)(C)OC(=O)N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@]2(CO)C1 ZINC000307349477 466495810 /nfs/dbraw/zinc/49/58/10/466495810.db2.gz OSEDPPWFWPLARC-LPHOPBHVSA-N 1 0 332.444 2.348 50 0 EEAARO Cc1ccccc1CN(CCO)C(=O)NCC[C@@H](C)[NH+]1CCCC1 ZINC000584891408 468956355 /nfs/dbraw/zinc/95/63/55/468956355.db2.gz QUPOYXVWAFCVHS-QGZVFWFLSA-N 1 0 333.476 2.373 50 0 EEAARO Cc1nc2ccc(Cl)cn2c1CN1CCOC[C@@H](C[NH+](C)C)C1 ZINC000584893135 468957543 /nfs/dbraw/zinc/95/75/43/468957543.db2.gz AGIWRWJXWNQTRI-AWEZNQCLSA-N 1 0 336.867 2.306 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)NCCc2noc(C3CCC3)n2)C1 ZINC000584903607 468960762 /nfs/dbraw/zinc/96/07/62/468960762.db2.gz JTPARSVYWYMJKM-CYBMUJFWSA-N 1 0 347.463 2.148 50 0 EEAARO CCc1csc(CNC(=O)C2CC[NH+](C3CCOCC3)CC2)n1 ZINC000670448126 485646281 /nfs/dbraw/zinc/64/62/81/485646281.db2.gz SXUMCFAMAFATMJ-UHFFFAOYSA-N 1 0 337.489 2.213 50 0 EEAARO CCc1ccccc1NC(=O)CCC(=O)NC[C@@]1(C)CC[N@H+](C)C1 ZINC000670447434 485646376 /nfs/dbraw/zinc/64/63/76/485646376.db2.gz VGZCTIMPDRZALN-LJQANCHMSA-N 1 0 331.460 2.426 50 0 EEAARO C[C@@H](CCc1ncnn1CCc1ccccc1)[NH+]1CCN(C)CC1 ZINC000670469571 485652552 /nfs/dbraw/zinc/65/25/52/485652552.db2.gz LMTBKEJFIQMUKD-KRWDZBQOSA-N 1 0 327.476 2.089 50 0 EEAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)N1CCC(CCn2cccn2)CC1 ZINC000426389267 536371130 /nfs/dbraw/zinc/37/11/30/536371130.db2.gz NMWMHPYKTUUQTO-QGZVFWFLSA-N 1 0 333.480 2.179 50 0 EEAARO COc1ccc(-n2c(CC[NH3+])nnc2SC[C@@H]2CCCO2)cc1 ZINC000426582749 536551963 /nfs/dbraw/zinc/55/19/63/536551963.db2.gz DYQOIEGLBBRBMM-AWEZNQCLSA-N 1 0 334.445 2.048 50 0 EEAARO COc1cc(CN2CCOCC2)ccc1OCC[NH+]1CCCCC1 ZINC000215506187 536763278 /nfs/dbraw/zinc/76/32/78/536763278.db2.gz VBRNMGWJBZOMFY-UHFFFAOYSA-N 1 0 334.460 2.392 50 0 EEAARO Cc1cccc2[nH]c(CCNc3cc(C4CC([NH3+])C4)nc(N)n3)nc21 ZINC000219440347 563919653 /nfs/dbraw/zinc/91/96/53/563919653.db2.gz YBAZQKDGJHGZSR-UHFFFAOYSA-N 1 0 337.431 2.103 50 0 EEAARO CC(=O)Nc1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000022023209 675729796 /nfs/dbraw/zinc/72/97/96/675729796.db2.gz AWKZTWCLKRCYRC-SJORKVTESA-N 1 0 337.423 2.426 50 0 EEAARO Cc1ccc(OCC(=O)N2CCC[N@H+](C[C@@H]3CCOC3)CC2)cc1C ZINC000989651605 692126538 /nfs/dbraw/zinc/12/65/38/692126538.db2.gz SRAYHMMIDKPYMU-SFHVURJKSA-N 1 0 346.471 2.253 50 0 EEAARO CSCC[NH+]1CCC(NC(=O)c2cnn3cccc(C)c23)CC1 ZINC001772702502 1179285322 /nfs/dbraw/zinc/28/53/22/1179285322.db2.gz CIRPUKIUJYUWEA-UHFFFAOYSA-N 1 0 332.473 2.200 50 0 EEAARO COCc1ncc(C[N@@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)cn1 ZINC000091547913 1213812137 /nfs/dbraw/zinc/81/21/37/1213812137.db2.gz SAGRGEZWDHCJHB-QGZVFWFLSA-N 1 0 327.428 2.180 50 0 EEAARO CN(C)c1ncc(C[NH2+][C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)s1 ZINC000014969420 1226369181 /nfs/dbraw/zinc/36/91/81/1226369181.db2.gz CUIJQGLSOFHQGR-CQSZACIVSA-N 1 0 348.447 2.239 50 0 EEAARO Cc1nc(-c2ccccc2)[nH]c1CN1CCN(CCC[NH+](C)C)CC1 ZINC000020204400 1229483493 /nfs/dbraw/zinc/48/34/93/1229483493.db2.gz NOMACBWPHYTLMD-UHFFFAOYSA-N 1 0 341.503 2.454 50 0 EEAARO COCCn1ccnc1[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC000219628821 785841515 /nfs/dbraw/zinc/84/15/15/785841515.db2.gz WYUZHBYOSFEXSC-QGZVFWFLSA-N 1 0 348.491 2.112 50 0 EEAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2n[nH]c(=O)c3ccccc32)C1 ZINC000952871890 796055741 /nfs/dbraw/zinc/05/57/41/796055741.db2.gz DFVZRBDMFNPXRA-LBPRGKRZSA-N 1 0 326.400 2.034 50 0 EEAARO CNC(=O)C[C@@H](C)N(C)C(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000952970457 796102030 /nfs/dbraw/zinc/10/20/30/796102030.db2.gz INPXQPFLJLXKJO-OAHLLOKOSA-N 1 0 331.460 2.269 50 0 EEAARO CC(C)[C@@H](CNS(=O)(=O)N1CCC(C)(C)CC1)[NH+]1CCCC1 ZINC000820696294 798593489 /nfs/dbraw/zinc/59/34/89/798593489.db2.gz HTTVRFAJWCNPBW-OAHLLOKOSA-N 1 0 331.526 2.063 50 0 EEAARO Nc1nc(CCCNC(=O)c2ccc(C[NH+]3CCCC3)o2)cs1 ZINC000828166523 800618019 /nfs/dbraw/zinc/61/80/19/800618019.db2.gz WYPYUWRTKPGPJS-UHFFFAOYSA-N 1 0 334.445 2.277 50 0 EEAARO O=C(/C=C/c1nc2ccccc2s1)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000828711193 800806998 /nfs/dbraw/zinc/80/69/98/800806998.db2.gz PLUSRKAZUXATOD-HSBSLETESA-N 1 0 345.468 2.130 50 0 EEAARO OC[C@@H]1CCCN(CC[NH2+]Cc2ccc(OC(F)(F)F)cc2)C1 ZINC001506421848 1114602151 /nfs/dbraw/zinc/60/21/51/1114602151.db2.gz NHILSMGKIAQVEA-CQSZACIVSA-N 1 0 332.366 2.379 50 0 EEAARO C[C@@H](CCC(=O)Nc1ccnn1C1CCCC1)[NH+]1CCN(C)CC1 ZINC001529090963 1121309405 /nfs/dbraw/zinc/30/94/05/1121309405.db2.gz LLTHPIDKRVLAEH-HNNXBMFYSA-N 1 0 333.480 2.353 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2ccccc2-c2nc[nH]n2)C1 ZINC000097674386 219046414 /nfs/dbraw/zinc/04/64/14/219046414.db2.gz IKKWSEFTTJCQHA-CYBMUJFWSA-N 1 0 325.416 2.171 50 0 EEAARO Cc1c(C[NH+]2CC(c3cccnc3)C2)c(=O)n(-c2ccccc2)n1C ZINC000097772802 219055790 /nfs/dbraw/zinc/05/57/90/219055790.db2.gz FJMKYYAWJTWHED-UHFFFAOYSA-N 1 0 334.423 2.479 50 0 EEAARO Cc1cc(C[C@H](C)[NH2+]Cc2cn(CCC(N)=O)c3ccccc23)[nH]n1 ZINC000055401933 214319255 /nfs/dbraw/zinc/31/92/55/214319255.db2.gz BAHSHXRAGASVHN-ZDUSSCGKSA-N 1 0 339.443 2.269 50 0 EEAARO CN(Cc1[nH]nc2c1CCC2)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055414468 214322285 /nfs/dbraw/zinc/32/22/85/214322285.db2.gz NXPCHXSXXIQCDY-CQSZACIVSA-N 1 0 342.443 2.362 50 0 EEAARO Cc1nc2c(c(NC[C@@H](O)c3ccccc3Cl)n1)CC[NH2+]CC2 ZINC000063832607 214769836 /nfs/dbraw/zinc/76/98/36/214769836.db2.gz CFDKHEHUMDDDHJ-MRXNPFEDSA-N 1 0 332.835 2.272 50 0 EEAARO CCc1ccc(N2C[C@@H](C(=O)NC[C@H]3CCC[N@H+]3CC)CC2=O)cc1 ZINC000034916319 539331946 /nfs/dbraw/zinc/33/19/46/539331946.db2.gz RFYUJJNFOVGWQR-FUHWJXTLSA-N 1 0 343.471 2.202 50 0 EEAARO CC(=O)NC[C@@H]1CCC[N@H+](Cc2cccc(Cn3cccn3)c2)C1 ZINC000067714571 215192173 /nfs/dbraw/zinc/19/21/73/215192173.db2.gz KNHXUKDTMCZZKD-IBGZPJMESA-N 1 0 326.444 2.280 50 0 EEAARO OCC(CO)N1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067833407 215223060 /nfs/dbraw/zinc/22/30/60/215223060.db2.gz WKURCVOTQFCFPD-UHFFFAOYSA-N 1 0 349.814 2.260 50 0 EEAARO CCn1ncc(C[N@@H+]2CC[C@H](CNC(=O)CC(F)(F)F)C2)c1C ZINC000067850999 215231226 /nfs/dbraw/zinc/23/12/26/215231226.db2.gz XVWWYXTZGCLDTE-GFCCVEGCSA-N 1 0 332.370 2.102 50 0 EEAARO Cc1ccc(NC(=O)NCC[C@@H]2C[N@@H+](C3CCOCC3)CCO2)cc1 ZINC000067946587 215256655 /nfs/dbraw/zinc/25/66/55/215256655.db2.gz VTYRLSGFUHRTTG-GOSISDBHSA-N 1 0 347.459 2.386 50 0 EEAARO Cc1c2cccc(C)c2n(C)c1C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000072120785 216013843 /nfs/dbraw/zinc/01/38/43/216013843.db2.gz HLPISUUEJVOUIW-FQEVSTJZSA-N 1 0 343.471 2.324 50 0 EEAARO CCOc1cc(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)ccc1O ZINC000072147846 216035553 /nfs/dbraw/zinc/03/55/53/216035553.db2.gz ZTEYLBACNDHLGQ-HNNXBMFYSA-N 1 0 348.443 2.162 50 0 EEAARO O=C(c1cc(=O)[nH]c2cc(F)ccc21)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000072148075 216035563 /nfs/dbraw/zinc/03/55/63/216035563.db2.gz FWEQRSVWWBNGCO-CQSZACIVSA-N 1 0 343.402 2.368 50 0 EEAARO Cc1ncc2c(c1CNC(=O)[C@H](O)c1ccccc1Cl)CC[NH2+]C2 ZINC000072156208 216044994 /nfs/dbraw/zinc/04/49/94/216044994.db2.gz OCDNQQJXKQMBMG-QGZVFWFLSA-N 1 0 345.830 2.039 50 0 EEAARO O=C(c1cccc2cc[nH]c21)N1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072417997 216205961 /nfs/dbraw/zinc/20/59/61/216205961.db2.gz WHLYHFGGWHBENX-MRXNPFEDSA-N 1 0 327.428 2.229 50 0 EEAARO FC(F)(F)SCCn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072418855 216207427 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CC(=O)c1cc(C(=O)NC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000299782256 258090806 /nfs/dbraw/zinc/09/08/06/258090806.db2.gz ITACNZPQQKZHEH-UHFFFAOYSA-N 1 0 336.457 2.324 50 0 EEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)Cc1coc2ccc(CC)cc12 ZINC000299796478 258101132 /nfs/dbraw/zinc/10/11/32/258101132.db2.gz QOSJOBGECAHKPN-WMZOPIPTSA-N 1 0 330.428 2.373 50 0 EEAARO COCCCn1c(C)cc(C(=O)CSc2nc(N)cc(N)[nH+]2)c1C ZINC000003353446 258050583 /nfs/dbraw/zinc/05/05/83/258050583.db2.gz BASJCNXRLQIWBT-UHFFFAOYSA-N 1 0 349.460 2.071 50 0 EEAARO CC1(C)[C@H]([NH2+]C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1c1ccccc1 ZINC000123633430 222308221 /nfs/dbraw/zinc/30/82/21/222308221.db2.gz STIUWVDFJPOFOY-BHYGNILZSA-N 1 0 336.501 2.440 50 0 EEAARO CC(=O)c1ccccc1C(=O)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000091486419 278252349 /nfs/dbraw/zinc/25/23/49/278252349.db2.gz SMXOUEPGBKGCTE-IAGOWNOFSA-N 1 0 344.455 2.056 50 0 EEAARO CC[C@H]1CN(CC(=O)N(C2=CCCCC2)C2CC2)CC[N@@H+]1C[C@H](C)O ZINC000106908720 281161215 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CCCCCC[C@@]1(C(=O)OCC)C[C@@H](CSC(N)=[NH2+])OC1=O ZINC000005929321 462672026 /nfs/dbraw/zinc/67/20/26/462672026.db2.gz GYOMEBUCSCBPAJ-NHYWBVRUSA-N 1 0 330.450 2.448 50 0 EEAARO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)Nc2ccc(N3CCOCC3)cc2)C1 ZINC000007590576 462741172 /nfs/dbraw/zinc/74/11/72/462741172.db2.gz LTEBUBXTUXLTKN-IYBDPMFKSA-N 1 0 331.460 2.440 50 0 EEAARO CCn1c(=O)[nH]nc1C1CC[NH+](Cc2ccc3c(c2)C[C@@H](C)O3)CC1 ZINC000065376006 462759292 /nfs/dbraw/zinc/75/92/92/462759292.db2.gz SNDDVASSSQMVEV-CYBMUJFWSA-N 1 0 342.443 2.294 50 0 EEAARO COc1ccc(NC(=O)CC[NH2+]C[C@H]2CCCC[C@H]2O)c(OC)c1 ZINC000065424721 462768839 /nfs/dbraw/zinc/76/88/39/462768839.db2.gz UMZYZIFRLHLGEP-CZUORRHYSA-N 1 0 336.432 2.173 50 0 EEAARO CCCOCC[NH+]1CCN(c2cc(C)nc(-c3cccnc3)n2)CC1 ZINC000065470730 462775199 /nfs/dbraw/zinc/77/51/99/462775199.db2.gz JULKUFXJCLTRHV-UHFFFAOYSA-N 1 0 341.459 2.396 50 0 EEAARO CCCC[N@H+](CC)C[C@@H](O)COc1ccc(C(=O)OC)cc1OC ZINC000008428529 462783727 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O=C(CCCOc1ccccc1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077451931 462988168 /nfs/dbraw/zinc/98/81/68/462988168.db2.gz LCAKGDFFDGQXLS-HXUWFJFHSA-N 1 0 346.471 2.295 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccc(OC)cc2)nn1C ZINC000095474445 463092000 /nfs/dbraw/zinc/09/20/00/463092000.db2.gz KFKFRJPUZGPIPB-OAHLLOKOSA-N 1 0 342.443 2.310 50 0 EEAARO CC[NH+](CC)Cc1ccc(CNc2ccc(S(N)(=O)=O)cn2)cc1 ZINC000024831517 463100233 /nfs/dbraw/zinc/10/02/33/463100233.db2.gz YAHLROPOVWCBSE-UHFFFAOYSA-N 1 0 348.472 2.183 50 0 EEAARO CC(C)[NH+]1CCC(CC(=O)N2CCOc3ccc(CO)cc3C2)CC1 ZINC000095522000 463101730 /nfs/dbraw/zinc/10/17/30/463101730.db2.gz VSMPLIXGEMOQEV-UHFFFAOYSA-N 1 0 346.471 2.410 50 0 EEAARO CO[C@@H](CNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(F)cc1 ZINC000121656809 463173461 /nfs/dbraw/zinc/17/34/61/463173461.db2.gz DBFCXPXBCGIQNF-ROUUACIJSA-N 1 0 328.387 2.344 50 0 EEAARO C[N@H+](CCn1c2ccccc2oc1=O)C[C@H]1COc2ccccc2O1 ZINC000026922401 463176350 /nfs/dbraw/zinc/17/63/50/463176350.db2.gz 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463511592 /nfs/dbraw/zinc/51/15/92/463511592.db2.gz RXRWWCMYWDRYHE-AWEZNQCLSA-N 1 0 334.464 2.106 50 0 EEAARO CCC(=O)C(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082119977 463516041 /nfs/dbraw/zinc/51/60/41/463516041.db2.gz FEYDSTGWBUQNOA-UHFFFAOYSA-N 1 0 332.448 2.017 50 0 EEAARO Cc1noc(C)c1CN1c2ccccc2NC2(CC[NH2+]CC2)C1=O ZINC000082147866 463519691 /nfs/dbraw/zinc/51/96/91/463519691.db2.gz AMZOLGIYVLIMFG-UHFFFAOYSA-N 1 0 326.400 2.372 50 0 EEAARO C[C@H](C(=O)N[C@@H]1CCOc2ccccc21)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000107534168 463574141 /nfs/dbraw/zinc/57/41/41/463574141.db2.gz CNIVUELLHNFHHO-QSJFSLAZSA-N 1 0 332.444 2.250 50 0 EEAARO C[NH+]1CCC(CNC(=O)c2ccncc2O)(c2ccccc2)CC1 ZINC000222547307 464131751 /nfs/dbraw/zinc/13/17/51/464131751.db2.gz NQWIFHXVGRMWOY-UHFFFAOYSA-N 1 0 325.412 2.181 50 0 EEAARO O=C(NCC1CC[NH+]([C@H]2CCSC2)CC1)c1ccc2c(c1)OCO2 ZINC000225568786 464172130 /nfs/dbraw/zinc/17/21/30/464172130.db2.gz OMTHSOUGWGCASQ-HNNXBMFYSA-N 1 0 348.468 2.363 50 0 EEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)N[C@H]3CCc4ccccc4C3)nn2)CC1 ZINC000244633463 464461376 /nfs/dbraw/zinc/46/13/76/464461376.db2.gz GDNZKYWBRMVEEK-YESZJQIVSA-N 1 0 339.443 2.008 50 0 EEAARO CCc1ccc(NC(=O)CCN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)cc1 ZINC000252479602 464960621 /nfs/dbraw/zinc/96/06/21/464960621.db2.gz BIKWSOUEIGPIOD-OALUTQOASA-N 1 0 345.487 2.109 50 0 EEAARO CCCOc1ccc(CCNC(=O)N2CCC[N@H+](C)CC2)cc1OC ZINC000534580368 468263387 /nfs/dbraw/zinc/26/33/87/468263387.db2.gz RNFXKICANNPHIL-UHFFFAOYSA-N 1 0 349.475 2.374 50 0 EEAARO C[C@H](CCNC(=O)N(CCO)Cc1ccccc1F)[NH+]1CCCC1 ZINC000584888289 468956796 /nfs/dbraw/zinc/95/67/96/468956796.db2.gz TVXXIABYBXQTAX-OAHLLOKOSA-N 1 0 337.439 2.204 50 0 EEAARO CCc1nc(C)c(C[NH2+]C2CCN(C(=O)[C@H]3CCCO3)CC2)s1 ZINC000584901616 468960178 /nfs/dbraw/zinc/96/01/78/468960178.db2.gz QJNKZFIVHNVEJA-CQSZACIVSA-N 1 0 337.489 2.274 50 0 EEAARO CCC[NH+]1CCC(CC(=O)N2CCCO[C@H](Cn3cccn3)C2)CC1 ZINC000095507696 519842274 /nfs/dbraw/zinc/84/22/74/519842274.db2.gz 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1308905673 /nfs/dbraw/zinc/90/56/73/1308905673.db2.gz MMRQGQRXBVFVQY-NSHDSACASA-N 1 0 332.853 2.159 50 0 EEAARO O=C(CCC[NH+]1CCCC1)N1CCCN(C(=O)[C@@H]2CC23CCC3)CC1 ZINC001492049332 1330422862 /nfs/dbraw/zinc/42/28/62/1330422862.db2.gz FWNVWWYLULOSGX-KRWDZBQOSA-N 1 0 347.503 2.114 50 0 EEAARO Cc1nc(-c2cccnc2)ncc1C(=O)N[C@H]1CCC[N@@H+]2CCC[C@@H]12 ZINC001772811986 1410369861 /nfs/dbraw/zinc/36/98/61/1410369861.db2.gz DGOAALIOXVATMW-IRXDYDNUSA-N 1 0 337.427 2.204 50 0 EEAARO COCn1ccnc1C[N@@H+]1CC[C@@]2(C1)CCCN(C1CCCC1)C2=O ZINC000219556641 785797011 /nfs/dbraw/zinc/79/70/11/785797011.db2.gz ADUVGPSMWQQACV-LJQANCHMSA-N 1 0 346.475 2.244 50 0 EEAARO OC[C@H]1CCCCN1CC[NH2+]Cc1cc2c(cc1Cl)OCO2 ZINC000952962433 796079973 /nfs/dbraw/zinc/07/99/73/796079973.db2.gz DMQIGGCUMGMJHS-CYBMUJFWSA-N 1 0 326.824 2.005 50 0 EEAARO O=C(NC[C@@H](CO)Cc1ccco1)c1ccc(C[NH+]2CCCC2)o1 ZINC000952973840 796117182 /nfs/dbraw/zinc/11/71/82/796117182.db2.gz HWUSPQWUFDMRCH-AWEZNQCLSA-N 1 0 332.400 2.049 50 0 EEAARO C[C@@H](Cn1cccn1)C(=O)NC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000952980551 796129161 /nfs/dbraw/zinc/12/91/61/796129161.db2.gz QFMKJKWSSURYPI-HNNXBMFYSA-N 1 0 342.443 2.006 50 0 EEAARO CCn1c(CNC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)nc2ccccc21 ZINC000823582523 798745176 /nfs/dbraw/zinc/74/51/76/798745176.db2.gz GMWONERMJZPAOY-IBGZPJMESA-N 1 0 341.459 2.341 50 0 EEAARO CSCC[C@H]([NH3+])C(=O)Nc1nnc(Cc2cccc(C)c2)s1 ZINC001506425428 1114603454 /nfs/dbraw/zinc/60/34/54/1114603454.db2.gz OVYLBMGCGFPQSR-LBPRGKRZSA-N 1 0 336.486 2.456 50 0 EEAARO CN1CCC([NH2+][C@@H]2COC[C@H]2Cc2ccnc3ccccc23)CC1 ZINC001529100376 1121313549 /nfs/dbraw/zinc/31/35/49/1121313549.db2.gz QXDYCALTWUSQLQ-OXQOHEQNSA-N 1 0 325.456 2.476 50 0 EEAARO CCc1cc(NC2CC[NH+](Cc3ccccn3)CC2)n2ncnc2n1 ZINC000052407672 214127419 /nfs/dbraw/zinc/12/74/19/214127419.db2.gz IZVVMRWYJBAOPS-UHFFFAOYSA-N 1 0 337.431 2.158 50 0 EEAARO COC(=O)c1cccc(C[N@@H+](Cc2ccccc2)C[C@H](C)CO)n1 ZINC000055072864 214269049 /nfs/dbraw/zinc/26/90/49/214269049.db2.gz UWZDDWSXEGKCOU-HNNXBMFYSA-N 1 0 328.412 2.499 50 0 EEAARO Cn1cc(CN(C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)C2CC2)cn1 ZINC000055225273 214291271 /nfs/dbraw/zinc/29/12/71/214291271.db2.gz OHOUDSJGWQTGLZ-INIZCTEOSA-N 1 0 342.443 2.416 50 0 EEAARO Cc1nsc(NC(=O)NC2CC[NH+](Cc3ccccn3)CC2)n1 ZINC000055308848 214305504 /nfs/dbraw/zinc/30/55/04/214305504.db2.gz IHTBXAJEKJEOHT-UHFFFAOYSA-N 1 0 332.433 2.028 50 0 EEAARO OCCn1nccc1C1CC[NH+](CCOc2ccccc2F)CC1 ZINC000058311008 214542176 /nfs/dbraw/zinc/54/21/76/214542176.db2.gz DFCGFSCCBQXVAS-UHFFFAOYSA-N 1 0 333.407 2.273 50 0 EEAARO Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](CNC(=O)c2cncc(C)c2)C1 ZINC000067643152 215171768 /nfs/dbraw/zinc/17/17/68/215171768.db2.gz KADGEHPWBQZWAC-MRXNPFEDSA-N 1 0 341.459 2.372 50 0 EEAARO COc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C3CCOCC3)C2)c(O)c1 ZINC000067712704 215191638 /nfs/dbraw/zinc/19/16/38/215191638.db2.gz FITDZESRELMCIE-CQSZACIVSA-N 1 0 348.443 2.022 50 0 EEAARO Cc1n[nH]c(C)c1CNc1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000067773915 215209853 /nfs/dbraw/zinc/20/98/53/215209853.db2.gz HJKBRGURVIXHBM-UHFFFAOYSA-N 1 0 335.415 2.136 50 0 EEAARO Cn1nc([C@@H]2CCCN(Cc3ccccn3)C2)n(-c2ccccc2)c1=O ZINC000067817933 215220559 /nfs/dbraw/zinc/22/05/59/215220559.db2.gz JYBPVSMOAKNFEF-MRXNPFEDSA-N 1 0 349.438 2.346 50 0 EEAARO Cc1cc(C[N@@H+]2CCC[C@H](CNC(=O)Cn3cccn3)C2)oc1C ZINC000067804276 215217104 /nfs/dbraw/zinc/21/71/04/215217104.db2.gz MSBQRIRINOGUQI-MRXNPFEDSA-N 1 0 330.432 2.121 50 0 EEAARO C[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cccc3cccnc32)C1=O ZINC000067841814 215226533 /nfs/dbraw/zinc/22/65/33/215226533.db2.gz TXMMDKRKJZVQCA-IBGZPJMESA-N 1 0 338.411 2.045 50 0 EEAARO CC[N@@H+]1CCC[C@@H](CNS(=O)(=O)c2ccc(F)c(Cl)c2)C1 ZINC000067847436 215230100 /nfs/dbraw/zinc/23/01/00/215230100.db2.gz BATSHYBZSNPMOW-NSHDSACASA-N 1 0 334.844 2.489 50 0 EEAARO O=C(NC[C@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)NC1CCCC1 ZINC000067851058 215231056 /nfs/dbraw/zinc/23/10/56/215231056.db2.gz XKYVXZMJAYCEFA-CQSZACIVSA-N 1 0 335.448 2.226 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)CCC(=O)Nc2cccc(O)c2)C1 ZINC000067852055 215231088 /nfs/dbraw/zinc/23/10/88/215231088.db2.gz KSYDUMIKDOLMKN-CQSZACIVSA-N 1 0 345.443 2.196 50 0 EEAARO O=C(Cc1c[nH]c2ccccc12)NC[C@@H]1CC[N@H+](Cc2cnc[nH]2)C1 ZINC000067895166 215244232 /nfs/dbraw/zinc/24/42/32/215244232.db2.gz PBUGXLNIJKQZLH-AWEZNQCLSA-N 1 0 337.427 2.072 50 0 EEAARO CCC[NH+]1CCN(Cc2cc3cc(OCC)ccc3[nH]c2=O)CC1 ZINC000067908967 215248361 /nfs/dbraw/zinc/24/83/61/215248361.db2.gz FSJUUCIAQVGZFG-UHFFFAOYSA-N 1 0 329.444 2.454 50 0 EEAARO CC1CC[NH+](CCCNC(=O)c2cn(-c3ccccc3)nn2)CC1 ZINC000037176219 213135427 /nfs/dbraw/zinc/13/54/27/213135427.db2.gz TYHYHWQNXVNQGQ-UHFFFAOYSA-N 1 0 327.432 2.119 50 0 EEAARO Cc1cc(C)n(CCCNC(=O)c2cccc([C@H]3CC[NH2+]C3)c2)n1 ZINC000072162290 216050061 /nfs/dbraw/zinc/05/00/61/216050061.db2.gz BPGSZAZFEAVUQF-SFHVURJKSA-N 1 0 326.444 2.397 50 0 EEAARO Cc1n[nH]c(C)c1CNC(=O)c1ccc(C[C@H]2CCC[NH2+]C2)cc1 ZINC000072162841 216051365 /nfs/dbraw/zinc/05/13/65/216051365.db2.gz VWFZWXWODYCGBD-MRXNPFEDSA-N 1 0 326.444 2.499 50 0 EEAARO O=C(NC[C@]1(O)CCC[NH2+]CC1)C1(c2ccc(Cl)cc2)CCC1 ZINC000072172920 216064123 /nfs/dbraw/zinc/06/41/23/216064123.db2.gz JBVMDZFPHBBJTG-KRWDZBQOSA-N 1 0 336.863 2.383 50 0 EEAARO COCc1cc(N2CC[NH+](C3CCCCC3)CC2)n2nccc2n1 ZINC000072408817 216199424 /nfs/dbraw/zinc/19/94/24/216199424.db2.gz YXLKTQKKKAJNAD-UHFFFAOYSA-N 1 0 329.448 2.330 50 0 EEAARO COC(=O)CC[N@@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072418575 216206906 /nfs/dbraw/zinc/20/69/06/216206906.db2.gz LZPGRNZQBVPCOS-HXUWFJFHSA-N 1 0 344.455 2.454 50 0 EEAARO Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)[C@H]1C[NH2+]CCO1 ZINC000072423689 216212716 /nfs/dbraw/zinc/21/27/16/216212716.db2.gz KITDCZUGTGCSJK-CYBMUJFWSA-N 1 0 332.429 2.105 50 0 EEAARO c1cncc(NCCCNc2nc(C3CC3)nc3c2CC[NH2+]CC3)c1 ZINC000072440626 216235607 /nfs/dbraw/zinc/23/56/07/216235607.db2.gz YMRRKWLYOOKHKZ-UHFFFAOYSA-N 1 0 338.459 2.351 50 0 EEAARO CCN1CC[NH+](C[C@H]2CC[C@@H](Cc3ccc4c(c3)OCO4)O2)CC1 ZINC000072463388 216245767 /nfs/dbraw/zinc/24/57/67/216245767.db2.gz CMSJQSSIRWAPTD-DLBZAZTESA-N 1 0 332.444 2.143 50 0 EEAARO COc1cccc(-c2ncc(CN3CC[C@](O)(C[NH+](C)C)C3)s2)c1 ZINC000072470263 216249135 /nfs/dbraw/zinc/24/91/35/216249135.db2.gz LLAMRHISHYMCKR-SFHVURJKSA-N 1 0 347.484 2.317 50 0 EEAARO c1cn(-c2ccc(-c3c[nH]cn3)cc2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072480517 216260639 /nfs/dbraw/zinc/26/06/39/216260639.db2.gz UGEBVQIKLWKEJJ-UHFFFAOYSA-N 1 0 331.383 2.229 50 0 EEAARO Cn1cc(-c2cccc(CNC(=O)N3CC[C@H](C[NH+](C)C)C3)c2)cn1 ZINC000130477872 223155715 /nfs/dbraw/zinc/15/57/15/223155715.db2.gz OPPQBGLZPUCZMP-MRXNPFEDSA-N 1 0 341.459 2.180 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(=O)n(C)c3ccccc23)C1 ZINC000216519321 241199526 /nfs/dbraw/zinc/19/95/26/241199526.db2.gz NWFDUZYFMLRZAV-CQSZACIVSA-N 1 0 339.439 2.237 50 0 EEAARO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCCC1)c1cccc(=O)[nH]1 ZINC000215446151 241125928 /nfs/dbraw/zinc/12/59/28/241125928.db2.gz WDIHBVFVHAKCPI-KRWDZBQOSA-N 1 0 325.412 2.332 50 0 EEAARO Cc1cccc(CNC(=O)N2CC[N@H+](CC3CC3)[C@@H](CCO)C2)c1C ZINC000426415680 241281584 /nfs/dbraw/zinc/28/15/84/241281584.db2.gz VVWUESLYULRKJJ-IBGZPJMESA-N 1 0 345.487 2.292 50 0 EEAARO COCCN(Cc1ccccn1)C(=O)NCC(C)(C)[NH+]1CCCC1 ZINC000426414425 241281857 /nfs/dbraw/zinc/28/18/57/241281857.db2.gz AIJSOJXTROOPJF-UHFFFAOYSA-N 1 0 334.464 2.114 50 0 EEAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCc1ccccc1Cl ZINC000426487364 241297887 /nfs/dbraw/zinc/29/78/87/241297887.db2.gz MBNPTMAAXQPTTH-CQSZACIVSA-N 1 0 332.835 2.320 50 0 EEAARO Cc1cc(C)n([C@@H]2CC[N@H+](CCCOc3ccc(C(N)=O)cc3)C2)n1 ZINC000243901865 243033582 /nfs/dbraw/zinc/03/35/82/243033582.db2.gz BEZWFHFKODCVFL-QGZVFWFLSA-N 1 0 342.443 2.315 50 0 EEAARO COc1c[nH]c(CN(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)cc1=O ZINC000244811678 243084829 /nfs/dbraw/zinc/08/48/29/243084829.db2.gz SJCXQUWEVDJEGD-QGZVFWFLSA-N 1 0 327.428 2.284 50 0 EEAARO C[N@@H+]1CCN(Cc2c[nH]nc2-c2ccc(Cl)cc2)C[C@@H]1CCO ZINC000020419104 212127845 /nfs/dbraw/zinc/12/78/45/212127845.db2.gz TUEFUBNDDOJIAW-INIZCTEOSA-N 1 0 334.851 2.229 50 0 EEAARO CC(C)c1noc(CCNC(=O)NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000110583106 220045629 /nfs/dbraw/zinc/04/56/29/220045629.db2.gz PACXVKPSLMSFPB-ZIAGYGMSSA-N 1 0 337.468 2.155 50 0 EEAARO Cc1ccc(C)c([C@@H]2C[N@H+](CCC(=O)N3CCOCC3)[C@@H](C)CO2)c1 ZINC000110641194 220051527 /nfs/dbraw/zinc/05/15/27/220051527.db2.gz YVQIQBBLDTVLQL-HKUYNNGSSA-N 1 0 346.471 2.314 50 0 EEAARO O=c1c(C[NH2+]CCCO)cc2ccc(F)cc2n1Cc1ccccn1 ZINC000012243523 211329473 /nfs/dbraw/zinc/32/94/73/211329473.db2.gz IGNLVXVPSXMMGA-UHFFFAOYSA-N 1 0 341.386 2.056 50 0 EEAARO O=C(CN1CCCCC1=O)N[C@@H]1CCC[N@@H+](C2CCCCCC2)C1 ZINC000012200649 211318792 /nfs/dbraw/zinc/31/87/92/211318792.db2.gz SVCHXYKBIQAFHK-MRXNPFEDSA-N 1 0 335.492 2.302 50 0 EEAARO CC(C)=CCN1CC2(CC1=O)CCN(c1cc(C)[nH+]c(N)n1)CC2 ZINC000091493930 218014001 /nfs/dbraw/zinc/01/40/01/218014001.db2.gz QREQYYJHBQPOHW-UHFFFAOYSA-N 1 0 329.448 2.152 50 0 EEAARO Cc1ccc2nc(C(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cn2c1 ZINC000091595576 218029646 /nfs/dbraw/zinc/02/96/46/218029646.db2.gz VWYGXUZBMAKIHV-INIZCTEOSA-N 1 0 342.443 2.016 50 0 EEAARO C[NH+](C)C[C@@H]1CN(C(=O)CSc2ccc(Cl)cc2)C[C@@H]1CO ZINC000091656929 218041751 /nfs/dbraw/zinc/04/17/51/218041751.db2.gz BEJJCEPDFBXQMQ-CHWSQXEVSA-N 1 0 342.892 2.061 50 0 EEAARO COCCn1ccnc1C1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000091664048 218042808 /nfs/dbraw/zinc/04/28/08/218042808.db2.gz PJVYDVRGJHTITP-UHFFFAOYSA-N 1 0 337.855 2.259 50 0 EEAARO [NH3+]CCCCCC[NH2+][C@H](CC(=O)Nc1ccccc1Cl)C(=O)[O-] ZINC000010434158 211172534 /nfs/dbraw/zinc/17/25/34/211172534.db2.gz DRYJCVAJJJDUMD-CQSZACIVSA-N 1 0 341.839 2.231 50 0 EEAARO O=C(CC[N@@H+]1CCc2sccc2C1)Nc1ccc2[nH]c(=O)[nH]c2c1 ZINC000010093233 211146950 /nfs/dbraw/zinc/14/69/50/211146950.db2.gz IAHPVZSWUJYWCB-UHFFFAOYSA-N 1 0 342.424 2.305 50 0 EEAARO Cc1nccn1CCCC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000095353381 218287444 /nfs/dbraw/zinc/28/74/44/218287444.db2.gz VWYUVOCEDVLXQR-UHFFFAOYSA-N 1 0 341.459 2.414 50 0 EEAARO C[N@@H+]1CCCCC[C@H]1C(=O)N1CCC(O)(Cc2ccccc2)CC1 ZINC000095359289 218293373 /nfs/dbraw/zinc/29/33/73/218293373.db2.gz RUUNAEQFYAPQBD-SFHVURJKSA-N 1 0 330.472 2.457 50 0 EEAARO C[C@H](C(=O)N(C)CCCc1cnn(C)c1)[N@@H+]1CCc2ccccc2C1 ZINC000095385936 218317762 /nfs/dbraw/zinc/31/77/62/218317762.db2.gz XDEGGMKWBNRZTN-MRXNPFEDSA-N 1 0 340.471 2.258 50 0 EEAARO O=C1C[C@@H]2OCC[C@@H]3C[N@@H+]4CC[C@]56c7ccccc7N1[C@H]5[C@@H]2[C@@H]3C[C@@H]46 ZINC000005049463 210374674 /nfs/dbraw/zinc/37/46/74/210374674.db2.gz LUMNFZCZEDAQNJ-SAMRLPDISA-N 1 0 336.435 2.172 50 0 EEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2cccc(C(F)(F)F)c2)C1 ZINC000299793008 258097983 /nfs/dbraw/zinc/09/79/83/258097983.db2.gz HRAXJEHSNWZXOC-OAHLLOKOSA-N 1 0 330.350 2.234 50 0 EEAARO Cc1ncn(C)c1C(=O)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000299765076 258080040 /nfs/dbraw/zinc/08/00/40/258080040.db2.gz UQMKWBKBUTXSCG-UHFFFAOYSA-N 1 0 338.455 2.044 50 0 EEAARO CCOCCOc1ccccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](C)C2 ZINC000091965995 286115824 /nfs/dbraw/zinc/11/58/24/286115824.db2.gz LDVFEWFQMYPEOR-JKSUJKDBSA-N 1 0 332.444 2.268 50 0 EEAARO CC[N@@H+]1CCC[C@H]1Cn1cnc2c3ccc(OC)cc3[nH]c2c1=O ZINC000020289066 276188020 /nfs/dbraw/zinc/18/80/20/276188020.db2.gz HJRXUPVKRJWYPO-LBPRGKRZSA-N 1 0 326.400 2.371 50 0 EEAARO CN1C[C@@]2(CCN(C3CC[NH+](CCc4ccccc4)CC3)C2)OC1=O ZINC000072423150 277201179 /nfs/dbraw/zinc/20/11/79/277201179.db2.gz ZVMZZFAOAMEUQG-HXUWFJFHSA-N 1 0 343.471 2.220 50 0 EEAARO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000122441989 323325283 /nfs/dbraw/zinc/32/52/83/323325283.db2.gz KCVFTQRNPNRYAL-RBSFLKMASA-N 1 0 349.479 2.361 50 0 EEAARO O=C(NCCSC1=[NH+]CCN1)c1cccnc1Oc1ccccc1 ZINC000002157875 462590179 /nfs/dbraw/zinc/59/01/79/462590179.db2.gz IRIWBMACVISDNT-UHFFFAOYSA-N 1 0 342.424 2.296 50 0 EEAARO CCCC[NH2+]Cc1cc(OC)c(OCC(N)=O)cc1Br ZINC000002181876 462590251 /nfs/dbraw/zinc/59/02/51/462590251.db2.gz XUCPXYWZBGTXJI-UHFFFAOYSA-N 1 0 345.237 2.212 50 0 EEAARO C[NH+](C)CCCNC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1 ZINC000002472010 462594199 /nfs/dbraw/zinc/59/41/99/462594199.db2.gz FYDDWZTVFJOTCN-VKAVYKQESA-N 1 0 341.411 2.118 50 0 EEAARO COc1cc(C[N@@H+]2CC[C@@H](c3cnn(C)c3)C2)cc(OC)c1OC ZINC000128509890 462646812 /nfs/dbraw/zinc/64/68/12/462646812.db2.gz WRTHSWUSSUEFJF-CQSZACIVSA-N 1 0 331.416 2.435 50 0 EEAARO C[C@@H]([NH2+]CCc1csc(-c2ncccn2)n1)C(=O)NC1CCCC1 ZINC000065422438 462768168 /nfs/dbraw/zinc/76/81/68/462768168.db2.gz PAHAAGMSXYGJBR-GFCCVEGCSA-N 1 0 345.472 2.180 50 0 EEAARO CN(Cc1ccc(Cl)s1)C(=O)CSc1nc(N)cc(N)[nH+]1 ZINC000008341588 462780107 /nfs/dbraw/zinc/78/01/07/462780107.db2.gz MFSPHXYKWVGUKQ-UHFFFAOYSA-N 1 0 343.865 2.107 50 0 EEAARO COc1cccc(N2CCC([N@H+]3[C@@H]4CC[C@H]3CNC(=O)C4)CC2)c1 ZINC000065500190 462781814 /nfs/dbraw/zinc/78/18/14/462781814.db2.gz NEBUFHJCVQBQCG-SJORKVTESA-N 1 0 329.444 2.017 50 0 EEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1ccccc1CN1CCCC1=O ZINC000065496311 462781897 /nfs/dbraw/zinc/78/18/97/462781897.db2.gz AHWOMRYYSAXCAS-SFHVURJKSA-N 1 0 343.471 2.300 50 0 EEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CCCC3)CC2)C1 ZINC000012715810 462865035 /nfs/dbraw/zinc/86/50/35/462865035.db2.gz HHCAYJNLXZXMDI-INIZCTEOSA-N 1 0 347.503 2.158 50 0 EEAARO NC(=O)c1cccc(C[C@H]2CC[N@@H+](C3CSCCSC3)C2)c1 ZINC000091351214 462875182 /nfs/dbraw/zinc/87/51/82/462875182.db2.gz JTHAMQFFKIAJCI-CQSZACIVSA-N 1 0 336.526 2.499 50 0 EEAARO C[C@@H]1CN(C(=O)CC[NH+]2Cc3ccccc3C2)C[C@@]1(O)C1CCC1 ZINC000091594918 462891095 /nfs/dbraw/zinc/89/10/95/462891095.db2.gz IGJUHZCEVIOOLQ-QRWLVFNGSA-N 1 0 328.456 2.402 50 0 EEAARO O=C(CC1CCC1)N1CC[C@@]2(O)CCN(c3cc[nH+]cc3)C[C@H]2C1 ZINC000091664838 462897353 /nfs/dbraw/zinc/89/73/53/462897353.db2.gz RXLILUKNPIFYNI-LPHOPBHVSA-N 1 0 329.444 2.062 50 0 EEAARO NC(=O)c1ccc(C[NH+]2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000014182265 462915803 /nfs/dbraw/zinc/91/58/03/462915803.db2.gz YSQGJYQYOMLNOG-UHFFFAOYSA-N 1 0 343.471 2.400 50 0 EEAARO CC[NH+]1CCC(NC(=O)COc2ccccc2Br)CC1 ZINC000016604195 462982887 /nfs/dbraw/zinc/98/28/87/462982887.db2.gz BSMJOWMDJRWNBP-UHFFFAOYSA-N 1 0 341.249 2.428 50 0 EEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1cccc2ccnn21 ZINC000077455258 462987729 /nfs/dbraw/zinc/98/77/29/462987729.db2.gz JJAWYGSBIKTNKF-SFHVURJKSA-N 1 0 334.423 2.463 50 0 EEAARO CC(C)=CCC[NH+]1CCC(c2nnc(CN3CCOCC3)n2C)CC1 ZINC000077555425 463005160 /nfs/dbraw/zinc/00/51/60/463005160.db2.gz WBSQCFIQIJNMQN-UHFFFAOYSA-N 1 0 347.507 2.183 50 0 EEAARO Oc1ccccc1N1CC[NH+](C[C@H](O)COCc2ccccc2)CC1 ZINC000023387011 463066512 /nfs/dbraw/zinc/06/65/12/463066512.db2.gz HGLOZQSXFWXVHK-SFHVURJKSA-N 1 0 342.439 2.092 50 0 EEAARO Cc1nnsc1-c1nc(-c2ccncc2)nn1C1CC[NH+](C)CC1 ZINC000095503092 463096172 /nfs/dbraw/zinc/09/61/72/463096172.db2.gz UHHPAISWXDIZAV-UHFFFAOYSA-N 1 0 341.444 2.434 50 0 EEAARO CN(CCCc1nccn1C)C(=O)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095520354 463102236 /nfs/dbraw/zinc/10/22/36/463102236.db2.gz BKMJJASRMNKJFI-MRXNPFEDSA-N 1 0 344.459 2.316 50 0 EEAARO CCc1nnc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)s1 ZINC000095527388 463105310 /nfs/dbraw/zinc/10/53/10/463105310.db2.gz HFYRXNWCXLQNND-GFCCVEGCSA-N 1 0 334.445 2.222 50 0 EEAARO Cc1ccccc1-n1nc(CC(N)=O)nc1CC[C@H]1CCCC[N@H+]1C ZINC000096130667 463183390 /nfs/dbraw/zinc/18/33/90/463183390.db2.gz LFINGNQZUZJFKF-OAHLLOKOSA-N 1 0 341.459 2.020 50 0 EEAARO CC(C)Oc1c(Cl)cccc1NC(=O)N[C@@H]1C[C@@H](CO)[N@H+](C)C1 ZINC000096163314 463192346 /nfs/dbraw/zinc/19/23/46/463192346.db2.gz MPDRGFYUSLEXSL-NEPJUHHUSA-N 1 0 341.839 2.314 50 0 EEAARO CC1CC[NH+]([C@H](CNC(=O)c2ccc(=O)[nH]n2)c2cccs2)CC1 ZINC000027572982 463196485 /nfs/dbraw/zinc/19/64/85/463196485.db2.gz OMRQZBHXLMWJBY-CQSZACIVSA-N 1 0 346.456 2.447 50 0 EEAARO Cc1cc(NC(=O)CN2CCC[N@H+](Cc3ccccc3C)CC2)on1 ZINC000030154151 463288507 /nfs/dbraw/zinc/28/85/07/463288507.db2.gz KJCNELIZHKXLSX-UHFFFAOYSA-N 1 0 342.443 2.438 50 0 EEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc2ccccc2c(=O)[nH]1 ZINC000030318195 463294472 /nfs/dbraw/zinc/29/44/72/463294472.db2.gz HFDAQMRXAVGPTJ-UHFFFAOYSA-N 1 0 347.418 2.316 50 0 EEAARO CC[N@H+](Cc1c(C)nn(-c2ccc(F)cc2)c1C)[C@H]1COC[C@@H]1O ZINC000097099414 463324243 /nfs/dbraw/zinc/32/42/43/463324243.db2.gz MXYVSHFDRUQNBY-ROUUACIJSA-N 1 0 333.407 2.210 50 0 EEAARO CCOC(=O)Cc1ccc(NC(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc1 ZINC000032917356 463402438 /nfs/dbraw/zinc/40/24/38/463402438.db2.gz VCWRBINTPXOJNF-KRWDZBQOSA-N 1 0 345.443 2.494 50 0 EEAARO CCS[C@@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)C1 ZINC000104367635 463413908 /nfs/dbraw/zinc/41/39/08/463413908.db2.gz KEOTZSMJBGRGDR-BMFZPTHFSA-N 1 0 326.506 2.420 50 0 EEAARO CNC(=O)CC[N@@H+]1CCCN(Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071721610 463419182 /nfs/dbraw/zinc/41/91/82/463419182.db2.gz KNTCXWNFYKSTSL-GOSISDBHSA-N 1 0 335.467 2.494 50 0 EEAARO C[C@@H](C(=O)NCCC[NH+]1CCCC1)N1c2ccccc2CCCC1=O ZINC000033249663 463420036 /nfs/dbraw/zinc/42/00/36/463420036.db2.gz BMJVRGYZTBFVBU-INIZCTEOSA-N 1 0 343.471 2.347 50 0 EEAARO Cc1nc(C(C)C)sc1C(=O)N1CCO[C@@H](CC[NH+](C)C)C1 ZINC000071757331 463422481 /nfs/dbraw/zinc/42/24/81/463422481.db2.gz AFWGIGGOLVOPGN-ZDUSSCGKSA-N 1 0 325.478 2.368 50 0 EEAARO CCOC(=O)[C@H]1CCC[N@@H+]([C@H](C)C(=O)NCc2ccc(C)cc2)C1 ZINC000105127403 463440470 /nfs/dbraw/zinc/44/04/70/463440470.db2.gz PWLJTKUHWXALTM-WBVHZDCISA-N 1 0 332.444 2.275 50 0 EEAARO C[C@@H]1C[NH2+]CCN1C(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000124905260 463477914 /nfs/dbraw/zinc/47/79/14/463477914.db2.gz XXNLYVYUEVTEEF-SNVBAGLBSA-N 1 0 349.232 2.273 50 0 EEAARO O=C(C[C@H]1C[NH2+]CCO1)NCc1cccc(OCc2ccccc2)c1 ZINC000151206584 463493800 /nfs/dbraw/zinc/49/38/00/463493800.db2.gz DKCBXZGJQVINPA-IBGZPJMESA-N 1 0 340.423 2.260 50 0 EEAARO CC(C)n1cc(CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)cn1 ZINC000108084756 463590141 /nfs/dbraw/zinc/59/01/41/463590141.db2.gz LZDYSDCXJJUNHH-PMACEKPBSA-N 1 0 342.487 2.437 50 0 EEAARO C[C@H](C(=O)Nc1ccc2c(c1)CCN2C(N)=O)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000108130225 463590744 /nfs/dbraw/zinc/59/07/44/463590744.db2.gz IOPDTODHMRCPIG-FRRDWIJNSA-N 1 0 330.432 2.328 50 0 EEAARO OC1CC(c2cc(NC3CC[NH+](Cc4ccccn4)CC3)ncn2)C1 ZINC000219854088 464111365 /nfs/dbraw/zinc/11/13/65/464111365.db2.gz RCNKZQHFPXAXIR-UHFFFAOYSA-N 1 0 339.443 2.186 50 0 EEAARO O=C(CSc1ncccn1)NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000221435788 464122458 /nfs/dbraw/zinc/12/24/58/464122458.db2.gz XRRCNKXFXDKISA-INIZCTEOSA-N 1 0 342.468 2.207 50 0 EEAARO O=C(COCc1ccccc1)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000221397495 464123138 /nfs/dbraw/zinc/12/31/38/464123138.db2.gz ZXXOGKLUNHQCPQ-IBGZPJMESA-N 1 0 346.471 2.307 50 0 EEAARO [NH3+]Cc1cccc(CC(=O)N2CC[C@@H](c3ccc4c(c3)OCO4)C2)c1 ZINC000240178560 464445432 /nfs/dbraw/zinc/44/54/32/464445432.db2.gz ZAAXHXMSPASCBN-QGZVFWFLSA-N 1 0 338.407 2.433 50 0 EEAARO O=C(CCc1cn[nH]c1)NC[C@H](c1ccc(F)cc1)[NH+]1CCCC1 ZINC000252505390 464973857 /nfs/dbraw/zinc/97/38/57/464973857.db2.gz VQQYYPIBIMATRZ-QGZVFWFLSA-N 1 0 330.407 2.435 50 0 EEAARO COCCN1C[C@H](C[N@H+](C)Cc2nc3cc(C)c(C)cc3[nH]2)CC1=O ZINC000299763761 465884223 /nfs/dbraw/zinc/88/42/23/465884223.db2.gz REVXBDAMVNRLDU-HNNXBMFYSA-N 1 0 344.459 2.106 50 0 EEAARO CC(C)c1nc(CN(C)CCNc2cc([C@@H]3CCOC3)ncn2)co1 ZINC000426623357 467144450 /nfs/dbraw/zinc/14/44/50/467144450.db2.gz SKQWXJVFWPVMCZ-CQSZACIVSA-N 1 0 345.447 2.636 50 0 EEAARO O=C(NCc1ccc(CO)cc1)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000534589472 468267455 /nfs/dbraw/zinc/26/74/55/468267455.db2.gz IUGDYFLZRLPPCC-UHFFFAOYSA-N 1 0 331.460 2.339 50 0 EEAARO COCC1(C(=O)NCC2([NH+]3CCOCC3)CCCCCC2)CCC1 ZINC000584885371 468954767 /nfs/dbraw/zinc/95/47/67/468954767.db2.gz YUQHNTCVIDTGDX-UHFFFAOYSA-N 1 0 338.492 2.345 50 0 EEAARO Cc1cc(=O)c(C(=O)N(C)Cc2ccc(C[NH+](C)C)cc2)cn1C ZINC000584886548 468955235 /nfs/dbraw/zinc/95/52/35/468955235.db2.gz UWKCJQNBRJEEDD-UHFFFAOYSA-N 1 0 327.428 2.028 50 0 EEAARO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cc(-c3ccccc3F)no2)C1 ZINC000584894274 468957375 /nfs/dbraw/zinc/95/73/75/468957375.db2.gz GOEPZTXPVAXVJI-GFCCVEGCSA-N 1 0 332.379 2.326 50 0 EEAARO COc1cccc(N2CC[N@@H+]([C@@H]3CCNC(=O)CC3)CC2(C)C)c1 ZINC000670447712 485645900 /nfs/dbraw/zinc/64/59/00/485645900.db2.gz ZVAATHAMXKIDIM-HNNXBMFYSA-N 1 0 331.460 2.265 50 0 EEAARO CCn1cc(C[N@H+](C)Cc2ccc(OC)c(Cn3cncn3)c2)cn1 ZINC000215136296 536045822 /nfs/dbraw/zinc/04/58/22/536045822.db2.gz HGFWKCNNKRANGZ-UHFFFAOYSA-N 1 0 340.431 2.183 50 0 EEAARO COc1cc(CN2CCC[C@@H](C[NH+]3CCN(C)CC3)C2)ccc1F ZINC000216168950 536751562 /nfs/dbraw/zinc/75/15/62/536751562.db2.gz WSDXSGIGRWQLNS-KRWDZBQOSA-N 1 0 335.467 2.294 50 0 EEAARO COc1ccc(C(=O)N[C@@H](C)c2csc(C)n2)c(OCC[NH3+])c1 ZINC000426477885 536753324 /nfs/dbraw/zinc/75/33/24/536753324.db2.gz JCMIEOBDQRRFOA-JTQLQIEISA-N 1 0 335.429 2.289 50 0 EEAARO C[NH+](C)C[C@@]1(CO)CCCN(C(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC001772712153 1179303718 /nfs/dbraw/zinc/30/37/18/1179303718.db2.gz IRHQOUCWUJCKPQ-DRZUXFPHSA-N 1 0 349.519 2.301 50 0 EEAARO COc1ccc(C[NH2+]C[C@H]2CN(C3CC3)CCO2)c(OC(F)F)c1 ZINC000114766333 1205054533 /nfs/dbraw/zinc/05/45/33/1205054533.db2.gz GAYUVWMUDGOTAF-HNNXBMFYSA-N 1 0 342.386 2.249 50 0 EEAARO CC[N@@H+]1CCC[C@](C)(C(=O)N2CCC(Cc3noc(C)n3)CC2)C1 ZINC000095358750 1215348840 /nfs/dbraw/zinc/34/88/40/1215348840.db2.gz RAIMNNLEQZRZJU-SFHVURJKSA-N 1 0 334.464 2.281 50 0 EEAARO Cc1cc2c(cc1C[N@H+]1CC[C@H](CNC(=O)NC(C)C)C1)OCO2 ZINC000067514825 1249747136 /nfs/dbraw/zinc/74/71/36/1249747136.db2.gz JIWACCGIXSQLAQ-CQSZACIVSA-N 1 0 333.432 2.253 50 0 EEAARO Cc1nc(C2CC[NH+](Cc3ccco3)CC2)n(-c2ccnn2C)n1 ZINC001772807811 1410368367 /nfs/dbraw/zinc/36/83/67/1410368367.db2.gz BCGQJRLIKDLYSF-UHFFFAOYSA-N 1 0 326.404 2.282 50 0 EEAARO C[C@@H]1C(=O)N2CCC[C@@H]2CN1Cc1ccc(OCCC[NH+](C)C)cc1 ZINC001772814030 1410371929 /nfs/dbraw/zinc/37/19/29/1410371929.db2.gz GAXMKNBQSKGSJV-SJLPKXTDSA-N 1 0 345.487 2.212 50 0 EEAARO C[NH+](C)CC(C)(C)CNC(=O)c1[nH]nc2c1COc1ccccc1-2 ZINC000888105554 778262349 /nfs/dbraw/zinc/26/23/49/778262349.db2.gz QECNPMZDRCZNLU-UHFFFAOYSA-N 1 0 328.416 2.287 50 0 EEAARO O=c1cc(C2CC2)ncn1CC1CC[NH+](CC2CCOCC2)CC1 ZINC000585632975 792890024 /nfs/dbraw/zinc/89/00/24/792890024.db2.gz YXTSVLAZEKLGLU-UHFFFAOYSA-N 1 0 331.460 2.259 50 0 EEAARO O=C1COc2ccc3c(c2)CC[NH2+][C@H]3c2cccc(c2)OCCCN1 ZINC000952857655 796037814 /nfs/dbraw/zinc/03/78/14/796037814.db2.gz QORRCUNCSFXCCD-FQEVSTJZSA-N 1 0 338.407 2.199 50 0 EEAARO CC[N@H+](C)C1(CNC(=O)Cn2c3ccccc3oc2=O)CCCCC1 ZINC000952870352 796048705 /nfs/dbraw/zinc/04/87/05/796048705.db2.gz XNCLVOOCRPVRLJ-UHFFFAOYSA-N 1 0 345.443 2.365 50 0 EEAARO COc1ccc(-c2nnc(C)o2)cc1NC(=O)[C@@H]1CCC[N@H+](C)C1 ZINC000952872323 796057048 /nfs/dbraw/zinc/05/70/48/796057048.db2.gz OVGWQKVXINJDLR-CYBMUJFWSA-N 1 0 330.388 2.334 50 0 EEAARO CSc1nc(C(=O)N(CC[NH+](C)C)C[C@@H]2CCCO2)cs1 ZINC000952980596 796128566 /nfs/dbraw/zinc/12/85/66/796128566.db2.gz LRIABSCVHUKWAL-NSHDSACASA-N 1 0 329.491 2.048 50 0 EEAARO COCC(=O)Nc1ccc(C)c(NC(=O)C[N@@H+]2CCCC[C@H]2C)c1 ZINC000952989951 796159283 /nfs/dbraw/zinc/15/92/83/796159283.db2.gz ZFXQJKOTJTXBJP-CQSZACIVSA-N 1 0 333.432 2.393 50 0 EEAARO CCc1noc(CC[NH2+][C@@H]2CCC(=O)N(Cc3ccccc3)CC2)n1 ZINC000823569281 798748330 /nfs/dbraw/zinc/74/83/30/798748330.db2.gz DJFDCXZCWJXCLS-MRXNPFEDSA-N 1 0 342.443 2.345 50 0 EEAARO Cc1noc(NC(=O)CN2CCC[N@@H+](C)CC2)c1-c1ccccc1 ZINC001506398494 1114595439 /nfs/dbraw/zinc/59/54/39/1114595439.db2.gz CLVKUOXNOCHSOE-UHFFFAOYSA-N 1 0 328.416 2.226 50 0 EEAARO Cc1c(NC(=O)CN2CCC[N@@H+](C)CC2)onc1-c1ccccc1 ZINC001506401063 1114595937 /nfs/dbraw/zinc/59/59/37/1114595937.db2.gz BRPIAJACJMMTNY-UHFFFAOYSA-N 1 0 328.416 2.226 50 0 EEAARO Cc1nncn1CC[NH+]1CCC([C@@H](O)CCc2ccccc2)CC1 ZINC001529151742 1121342336 /nfs/dbraw/zinc/34/23/36/1121342336.db2.gz LVMMABJJSPIJCD-IBGZPJMESA-N 1 0 328.460 2.292 50 0 EEAARO [NH3+][C@H]1CC[C@@H](n2cc(C(=O)Nc3ccnn3C3CCCC3)nn2)CC1 ZINC001529191996 1121363734 /nfs/dbraw/zinc/36/37/34/1121363734.db2.gz MJWLATGXIAPMFJ-BETUJISGSA-N 1 0 343.435 2.284 50 0 EEAARO CCc1cccc(OC2CN(C(=O)C3CC[NH+](CCOC)CC3)C2)c1 ZINC000097619200 219041485 /nfs/dbraw/zinc/04/14/85/219041485.db2.gz FVFLFKCTLVVMDU-UHFFFAOYSA-N 1 0 346.471 2.197 50 0 EEAARO c1nc(N2CCOCC2)sc1C[N@@H+]1CCC[C@H](c2ccncn2)C1 ZINC000097713461 219050371 /nfs/dbraw/zinc/05/03/71/219050371.db2.gz JAKAGBOQRKWMKN-AWEZNQCLSA-N 1 0 345.472 2.149 50 0 EEAARO Cc1cccc([C@H](CNC(=O)CCN2CCCCC2=O)[NH+](C)C)c1 ZINC000097745248 219053703 /nfs/dbraw/zinc/05/37/03/219053703.db2.gz MKPOSYLWQDDGSY-KRWDZBQOSA-N 1 0 331.460 2.117 50 0 EEAARO Cc1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCCC2)c(=O)[nH]1 ZINC000216137758 282145245 /nfs/dbraw/zinc/14/52/45/282145245.db2.gz PLVMNVZVTALEAT-KRWDZBQOSA-N 1 0 340.427 2.035 50 0 EEAARO O=C(NCC1(Cn2cccn2)CC1)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055244644 214293310 /nfs/dbraw/zinc/29/33/10/214293310.db2.gz QRKDBNUDENCZTD-INIZCTEOSA-N 1 0 342.443 2.285 50 0 EEAARO O=C(NCC1(Cn2cccn2)CC1)[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055244646 214293841 /nfs/dbraw/zinc/29/38/41/214293841.db2.gz QRKDBNUDENCZTD-MRXNPFEDSA-N 1 0 342.443 2.285 50 0 EEAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1)C1CCC1 ZINC000067489743 215153202 /nfs/dbraw/zinc/15/32/02/215153202.db2.gz OGDSZXFJGAAPPT-ZDUSSCGKSA-N 1 0 328.416 2.408 50 0 EEAARO COc1cc(C[N@@H+]2CC[C@H](CNC(=O)C(C)(C)C)C2)cc2c1OCO2 ZINC000067842777 215226958 /nfs/dbraw/zinc/22/69/58/215226958.db2.gz IYNLLVLVFYWUKK-CYBMUJFWSA-N 1 0 348.443 2.408 50 0 EEAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccco2)C1)c1cccc2c1OCC2 ZINC000067868596 215235221 /nfs/dbraw/zinc/23/52/21/215235221.db2.gz DXEGLZQNZHDTJH-AWEZNQCLSA-N 1 0 326.396 2.466 50 0 EEAARO CC(C)NC(=O)NC[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000067872695 215238228 /nfs/dbraw/zinc/23/82/28/215238228.db2.gz IQYRIDLJSFPOLZ-ZDUSSCGKSA-N 1 0 331.420 2.199 50 0 EEAARO CCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(C)c1 ZINC000035421983 213027360 /nfs/dbraw/zinc/02/73/60/213027360.db2.gz BSTBSWVGQCETLB-UHFFFAOYSA-N 1 0 331.460 2.059 50 0 EEAARO COc1ccc(CCNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1OC ZINC000035363889 213023223 /nfs/dbraw/zinc/02/32/23/213023223.db2.gz RNRCUKMCUCAXOE-KRWDZBQOSA-N 1 0 340.423 2.077 50 0 biogenic EEAARO [NH2+]=C1Nc2nc3cc4c(cc3n2[C@H](c2ccccc2)N1)OCCCO4 ZINC000009378164 283410321 /nfs/dbraw/zinc/41/03/21/283410321.db2.gz AISMCHXYLQDDNB-MRXNPFEDSA-N 1 0 335.367 2.294 50 0 EEAARO CC(C)c1ncc(-c2nccn2CCN2CC[NH+](C(C)C)CC2)cn1 ZINC000072167228 216057283 /nfs/dbraw/zinc/05/72/83/216057283.db2.gz VLRMXOAGUJHIAF-UHFFFAOYSA-N 1 0 342.491 2.490 50 0 EEAARO C[N@H+](CCOc1ccc(S(N)(=O)=O)cc1)[C@@H]1CCc2ccccc21 ZINC000029489045 212670336 /nfs/dbraw/zinc/67/03/36/212670336.db2.gz KHPCAAPRJVPAPY-GOSISDBHSA-N 1 0 346.452 2.332 50 0 EEAARO c1cn([C@@H]2COc3ccccc3C2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072407295 216198083 /nfs/dbraw/zinc/19/80/83/216198083.db2.gz INGQXZZMPHBIKC-INIZCTEOSA-N 1 0 335.411 2.416 50 0 EEAARO CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](C1CCN(Cc3ccccc3)CC1)C2 ZINC000072420070 216208684 /nfs/dbraw/zinc/20/86/84/216208684.db2.gz QWSNDCGQWMXSDJ-PKOBYXMFSA-N 1 0 327.472 2.204 50 0 EEAARO Cc1nc2c(c(N[C@H](C)c3cn4ccsc4n3)n1)CC[NH2+]CC2 ZINC000072428788 216220354 /nfs/dbraw/zinc/22/03/54/216220354.db2.gz GHSGWLDCQPJZSC-SNVBAGLBSA-N 1 0 328.445 2.356 50 0 EEAARO C[NH+]1CCC(CNS(=O)(=O)c2ccc(Br)cc2)CC1 ZINC000022999723 212341705 /nfs/dbraw/zinc/34/17/05/212341705.db2.gz GWSIQWNYGRXLNB-UHFFFAOYSA-N 1 0 347.278 2.069 50 0 EEAARO CC[NH+]1CCC(NC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)CC1 ZINC000022992136 212340332 /nfs/dbraw/zinc/34/03/32/212340332.db2.gz JBVAQEDSXKWGSJ-QGZVFWFLSA-N 1 0 337.508 2.308 50 0 EEAARO C[NH+](C)[C@@H](CNC(=O)CNC(=O)C1CCCCC1)c1cccc(F)c1 ZINC000022682662 212315587 /nfs/dbraw/zinc/31/55/87/212315587.db2.gz ZIMWIKVHVHDRQW-KRWDZBQOSA-N 1 0 349.450 2.241 50 0 EEAARO COc1ccc([C@@H](O)C(=O)N2CCC[N@@H+](C3CCCC3)CC2)cc1 ZINC000215323457 241121478 /nfs/dbraw/zinc/12/14/78/241121478.db2.gz MZWRALPKIIUUEY-GOSISDBHSA-N 1 0 332.444 2.206 50 0 EEAARO C[C@@]1(C(N)=O)CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000215381833 241122547 /nfs/dbraw/zinc/12/25/47/241122547.db2.gz SLLPHNHYDZEZNE-OAHLLOKOSA-N 1 0 342.896 2.484 50 0 EEAARO [NH3+]CCCOc1ccc(F)cc1C(=O)N1CC(c2cccnc2)C1 ZINC000426701711 241328016 /nfs/dbraw/zinc/32/80/16/241328016.db2.gz UXIAZEQNPJJTBP-UHFFFAOYSA-N 1 0 329.375 2.188 50 0 EEAARO Cc1c[nH+]ccc1NCCNC(=O)[C@@H](Oc1ccccc1)C(C)C ZINC000426627728 241318531 /nfs/dbraw/zinc/31/85/31/241318531.db2.gz NATXRKHQOJFYMC-SFHVURJKSA-N 1 0 327.428 2.444 50 0 EEAARO CCOc1cccc(CN(C)c2cc(C3CC([NH3+])C3)nc(N)n2)c1 ZINC000219321768 241379731 /nfs/dbraw/zinc/37/97/31/241379731.db2.gz HNIHCYYDPKQTMB-UHFFFAOYSA-N 1 0 327.432 2.299 50 0 EEAARO COc1cccc(OCCSc2nnc([C@H]3CCC[NH2+]C3)n2C)c1 ZINC000426724041 241331373 /nfs/dbraw/zinc/33/13/73/241331373.db2.gz UHXRFDWGDFBKHW-ZDUSSCGKSA-N 1 0 348.472 2.462 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1CCCNc1nn2nnnc2c2ccccc21 ZINC000021777477 212248932 /nfs/dbraw/zinc/24/89/32/212248932.db2.gz XVSYJGOQXPWQTI-CYBMUJFWSA-N 1 0 325.420 2.349 50 0 EEAARO CCCC[N@H+](C)CCNC(=O)/C=C1\Sc2ccccc2NC1=O ZINC000020727196 212164431 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O=C(Nc1cccc(-n2cnnn2)c1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000012442488 211383679 /nfs/dbraw/zinc/38/36/79/211383679.db2.gz QHGCTGAESMKUQB-MRXNPFEDSA-N 1 0 326.404 2.008 50 0 EEAARO CC[N@H+](C)C[C@@H]1CN(C(=O)CCc2ccc(C)c(C)c2)C[C@@H]1CO ZINC000091444585 218006983 /nfs/dbraw/zinc/00/69/83/218006983.db2.gz HAZHLZRIOSPOBU-RTBURBONSA-N 1 0 332.488 2.255 50 0 EEAARO O=c1cc(C[NH2+][C@@H]2CCOC3(CCOCC3)C2)[nH]c2ccc(F)cc12 ZINC000091574411 218023854 /nfs/dbraw/zinc/02/38/54/218023854.db2.gz OHNCBHJEKIQSIW-CQSZACIVSA-N 1 0 346.402 2.485 50 0 EEAARO CCCc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(CC(=O)N(C)C)C3)o1 ZINC000091616859 218031379 /nfs/dbraw/zinc/03/13/79/218031379.db2.gz IDWFZAMTUBAYRV-JKSUJKDBSA-N 1 0 333.476 2.217 50 0 EEAARO Cc1csc(C[N@@H+]2CC[C@]3(C2)CCCN(C2CCOCC2)C3=O)n1 ZINC000091782081 218065429 /nfs/dbraw/zinc/06/54/29/218065429.db2.gz XTISPWTUTRHOKJ-SFHVURJKSA-N 1 0 349.500 2.445 50 0 EEAARO CCCNc1ncc(C[NH+]2CCC3(CC2)[C@H](O)C[C@@H]3OCC)cn1 ZINC000091997150 218101044 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CC(=O)N1CCN(c2ncccc2C[NH2+]C[C@H]2CC=CCC2)CC1 ZINC000015063198 135706776 /nfs/dbraw/zinc/70/67/76/135706776.db2.gz MSJKKOWRMPEAEH-KRWDZBQOSA-N 1 0 328.460 2.196 50 0 EEAARO Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1[C@@H]2CC[C@H]1C[NH2+]CC2 ZINC000097759270 274901064 /nfs/dbraw/zinc/90/10/64/274901064.db2.gz JICPJJOZLKHTFJ-SFYZADRCSA-N 1 0 336.745 2.059 50 0 EEAARO C[NH+](C)C1(CNC(=O)N2CCC[C@@H]2Cn2cccn2)CCCCC1 ZINC000426370724 289047550 /nfs/dbraw/zinc/04/75/50/289047550.db2.gz XFDHVQMRJPCEMC-MRXNPFEDSA-N 1 0 333.480 2.322 50 0 EEAARO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@@H]1CCc2ncnn2C1 ZINC000122441585 323325243 /nfs/dbraw/zinc/32/52/43/323325243.db2.gz KCVFTQRNPNRYAL-KFWWJZLASA-N 1 0 349.479 2.361 50 0 EEAARO [NH3+]CC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000002571331 462595610 /nfs/dbraw/zinc/59/56/10/462595610.db2.gz YABDXPBHLDPMOA-IBGZPJMESA-N 1 0 347.418 2.465 50 0 in-vitro EEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)N1CC(Oc2ccc(F)cc2)C1 ZINC000534662587 468272515 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[NH2+]=C1Nc2nc3ccccc3n2[C@H](c2cnn(Cc3ccccc3)c2)N1 ZINC000007043622 462718508 /nfs/dbraw/zinc/71/85/08/462718508.db2.gz IQCZMBOBZHDTNI-QGZVFWFLSA-N 1 0 343.394 2.377 50 0 EEAARO Cc1cc(Cl)c(C)c(S(=O)(=O)NCC[NH+](C)C)c1Cl ZINC000007612682 462741938 /nfs/dbraw/zinc/74/19/38/462741938.db2.gz LBHHVWIPNJBBMA-UHFFFAOYSA-N 1 0 325.261 2.450 50 0 EEAARO Cc1cc(N(C)C)nc(NCCNC(=O)c2cccc(Cl)c2)[nH+]1 ZINC000065361901 462756766 /nfs/dbraw/zinc/75/67/66/462756766.db2.gz HFRZNQXIRWHWPN-UHFFFAOYSA-N 1 0 333.823 2.346 50 0 EEAARO CCCn1nc(C(=O)NC[C@H]2CCC[N@@H+]2CC)c2ccccc2c1=O ZINC000008772291 462795867 /nfs/dbraw/zinc/79/58/67/462795867.db2.gz PDLGHPVBXDTBKD-CQSZACIVSA-N 1 0 342.443 2.021 50 0 EEAARO CCc1cc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccn2)on1 ZINC000091441732 462878746 /nfs/dbraw/zinc/87/87/46/462878746.db2.gz VTPRGDMEFPLVRE-WMLDXEAASA-N 1 0 340.427 2.255 50 0 EEAARO CCC[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCC3)o2)C[C@@H]1NC(C)=O ZINC000091550782 462887449 /nfs/dbraw/zinc/88/74/49/462887449.db2.gz 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EEAARO Cc1cc(C)n(-c2ccccc2CN2CCC[C@@](O)(C[NH+](C)C)C2)n1 ZINC000072152722 203173603 /nfs/dbraw/zinc/17/36/03/203173603.db2.gz FULAOTMWGZXREA-HXUWFJFHSA-N 1 0 342.487 2.378 50 0 EEAARO c1cn(Cc2ccc3c(c2)CCCO3)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072447320 203226189 /nfs/dbraw/zinc/22/61/89/203226189.db2.gz SDNOYCGSUCDJJW-UHFFFAOYSA-N 1 0 335.411 2.223 50 0 EEAARO c1cn([C@H]2COc3ccccc3C2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072407296 203216521 /nfs/dbraw/zinc/21/65/21/203216521.db2.gz INGQXZZMPHBIKC-MRXNPFEDSA-N 1 0 335.411 2.416 50 0 EEAARO Cc1cc(CNc2nc(-c3cccnc3)nc3c2CC[NH2+]CC3)on1 ZINC000072421639 203219943 /nfs/dbraw/zinc/21/99/43/203219943.db2.gz COQHNZJMOQBRPD-UHFFFAOYSA-N 1 0 336.399 2.135 50 0 EEAARO Cc1ccc(C[N@@H+]2CC[C@@H](CNC(=O)Cc3ccccc3)[C@H](O)C2)o1 ZINC000072423642 203220734 /nfs/dbraw/zinc/22/07/34/203220734.db2.gz KEGZPOXISHQRCZ-PKOBYXMFSA-N 1 0 342.439 2.130 50 0 EEAARO COc1ccc(OC2CCN(C(=O)[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000077388284 203384530 /nfs/dbraw/zinc/38/45/30/203384530.db2.gz AHGPLYUJTGZVRX-OAHLLOKOSA-N 1 0 332.444 2.407 50 0 EEAARO CN(Cc1cccc2ncccc12)C(=O)CC[N@H+](C)[C@@H]1CCN(C)C1 ZINC000077523641 203393547 /nfs/dbraw/zinc/39/35/47/203393547.db2.gz GSCWWBBYNZGVOO-QGZVFWFLSA-N 1 0 340.471 2.219 50 0 EEAARO OCc1ccc(-c2nccn2C2CC[NH+](C[C@H]3CCCO3)CC2)o1 ZINC000077553476 203394443 /nfs/dbraw/zinc/39/44/43/203394443.db2.gz HYZHAGDNKBTEMJ-OAHLLOKOSA-N 1 0 331.416 2.451 50 0 EEAARO O=C(CCOc1ccccc1)N1C[C@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091306153 203630315 /nfs/dbraw/zinc/63/03/15/203630315.db2.gz FRSQDIPABVCLDM-QZTJIDSGSA-N 1 0 346.471 2.008 50 0 EEAARO O=C(c1ccc2cc[nH]c2c1)N1C[C@H](CO)[C@H](C[NH+]2CCCCC2)C1 ZINC000092019280 203663352 /nfs/dbraw/zinc/66/33/52/203663352.db2.gz RJHUUEKWFHIIHP-QZTJIDSGSA-N 1 0 341.455 2.334 50 0 EEAARO C[C@H](CNC(=O)CCCOc1ccccc1F)N1CCOC[C@@H]1C ZINC000106798545 204211219 /nfs/dbraw/zinc/21/12/19/204211219.db2.gz ZHYMJPJNMTUWRN-CABCVRRESA-N 1 0 338.423 2.210 50 0 EEAARO COc1cccc([C@@H](CNc2ncnc3c2cnn3C)[NH+](C)C)c1 ZINC000012485969 207155929 /nfs/dbraw/zinc/15/59/29/207155929.db2.gz XEIKUEUTQWWMDI-OAHLLOKOSA-N 1 0 326.404 2.087 50 0 EEAARO C[N@H+](Cc1cc(=O)n2[nH]cnc2n1)C[C@]1(c2ccccc2)CC1(C)C ZINC000334159711 258005035 /nfs/dbraw/zinc/00/50/35/258005035.db2.gz WBYUYBYZDQPWSY-IBGZPJMESA-N 1 0 337.427 2.217 50 0 EEAARO CCn1cc(NC(=O)NC[C@H]2CCC3(CC[NH+](C(C)C)CC3)O2)cn1 ZINC000299788179 258094601 /nfs/dbraw/zinc/09/46/01/258094601.db2.gz QRDMAKNWTHQAAS-MRXNPFEDSA-N 1 0 349.479 2.447 50 0 EEAARO Cc1ccc(C(N)=O)cc1NC(=O)N1CC[NH+](CC2CCCC2)CC1 ZINC000299803168 258105857 /nfs/dbraw/zinc/10/58/57/258105857.db2.gz YTZAMOYGKQRMCO-UHFFFAOYSA-N 1 0 344.459 2.434 50 0 EEAARO Cc1cc(N2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n2ncnc2n1 ZINC000359900753 164193321 /nfs/dbraw/zinc/19/33/21/164193321.db2.gz NVBCACKEFMHEGV-IAGOWNOFSA-N 1 0 334.427 2.001 50 0 EEAARO Cc1cc(N2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n2ncnc2n1 ZINC000359900758 164193333 /nfs/dbraw/zinc/19/33/33/164193333.db2.gz NVBCACKEFMHEGV-IRXDYDNUSA-N 1 0 334.427 2.001 50 0 EEAARO CCc1ccccc1NC(=O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000122296374 222055405 /nfs/dbraw/zinc/05/54/05/222055405.db2.gz JLHVUGCZMZPWAY-NVXWUHKLSA-N 1 0 329.444 2.130 50 0 EEAARO COCCCN(Cc1cnc(N2CCCC2)nc1)C1CC[NH+](C)CC1 ZINC000072473556 277205930 /nfs/dbraw/zinc/20/59/30/277205930.db2.gz NWGGUVZPTDGBKO-UHFFFAOYSA-N 1 0 347.507 2.010 50 0 EEAARO COCCCN1CC2(CCC1=O)CC[NH+](C[C@@H]1CCCCO1)CC2 ZINC000091914895 277206197 /nfs/dbraw/zinc/20/61/97/277206197.db2.gz KUNDJBKCJAUBNC-KRWDZBQOSA-N 1 0 338.492 2.297 50 0 EEAARO COc1nccnc1N1CCC[C@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095496959 278098068 /nfs/dbraw/zinc/09/80/68/278098068.db2.gz LMPAOFAGHRBWRX-HNNXBMFYSA-N 1 0 344.463 2.017 50 0 EEAARO Cc1cccc([C@@H](CNC(=O)c2cnc(N(C)C)nc2C)[NH+](C)C)c1 ZINC000095353361 278929728 /nfs/dbraw/zinc/92/97/28/278929728.db2.gz ZDWLZBHOJZTWCX-QGZVFWFLSA-N 1 0 341.459 2.192 50 0 EEAARO CC(C)n1c(=O)c2c3c(sc2nc1N1CC[NH2+]CC1)CCCC3 ZINC000096517644 280749298 /nfs/dbraw/zinc/74/92/98/280749298.db2.gz RPXDKBCBRALVOC-UHFFFAOYSA-N 1 0 332.473 2.327 50 0 EEAARO COc1ccc(OCCC[NH3+])c(C(=O)N(C)C2CCSCC2)c1 ZINC000426707287 295186019 /nfs/dbraw/zinc/18/60/19/295186019.db2.gz WOVCOWJDUFXEEF-UHFFFAOYSA-N 1 0 338.473 2.390 50 0 EEAARO O=C(NCC[NH+]1CCC(O)CC1)[C@@]1(c2ccccc2)CC12CCCC2 ZINC000426707154 295645357 /nfs/dbraw/zinc/64/53/57/295645357.db2.gz HCPNZGOWGFVKIO-NRFANRHFSA-N 1 0 342.483 2.461 50 0 EEAARO O=C(N1C[C@H](CO)[C@H](C[NH+]2CCCC2)C1)C1(c2ccccc2F)CC1 ZINC000091794226 303699808 /nfs/dbraw/zinc/69/98/08/303699808.db2.gz PBXBCBVNWCRNGT-HZPDHXFCSA-N 1 0 346.446 2.020 50 0 EEAARO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccc(OC)cc1 ZINC000000098670 462541840 /nfs/dbraw/zinc/54/18/40/462541840.db2.gz XACXSEQQTWMBMW-HNNXBMFYSA-N 1 0 341.431 2.477 50 0 EEAARO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCC[C@@H](C(F)(F)F)C1 ZINC000229220784 464194689 /nfs/dbraw/zinc/19/46/89/464194689.db2.gz MLNPMYCMNFQHPW-CHWSQXEVSA-N 1 0 344.381 2.390 50 0 EEAARO Cc1nnc([C@H]2CCCN2CC[NH+]2CCN(c3ccccc3)CC2)[nH]1 ZINC000252488392 464965548 /nfs/dbraw/zinc/96/55/48/464965548.db2.gz IRABGQYSGQSQJT-GOSISDBHSA-N 1 0 340.475 2.072 50 0 EEAARO Cc1cccc2oc(CNC(=O)CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)nc21 ZINC000534670048 468271729 /nfs/dbraw/zinc/27/17/29/468271729.db2.gz HFVLYWBPUQXZJG-OKILXGFUSA-N 1 0 331.416 2.252 50 0 EEAARO Cc1ncc2c(n1)CCN(C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)C2 ZINC000044969406 462545961 /nfs/dbraw/zinc/54/59/61/462545961.db2.gz JYMLONWVNXKEDE-INIZCTEOSA-N 1 0 345.472 2.217 50 0 EEAARO COc1cc(C(=O)OC2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1OC ZINC000004975504 462642811 /nfs/dbraw/zinc/64/28/11/462642811.db2.gz DJIVYOZJUUNZBB-PBWFPOADSA-N 1 0 335.400 2.494 50 0 biogenic,in-vitro EEAARO COc1ccc([C@@H](C[NH2+]C[C@H](O)CO)c2c[nH]c3ccccc32)cc1 ZINC000006787580 462704680 /nfs/dbraw/zinc/70/46/80/462704680.db2.gz UVJSDAPODUUICQ-MAUKXSAKSA-N 1 0 340.423 2.251 50 0 EEAARO CCc1nc(CN(C)CC2(c3ccc(C)cn3)CC[NH2+]CC2)no1 ZINC000065404678 462765431 /nfs/dbraw/zinc/76/54/31/462765431.db2.gz XIQQKPLSCHYUGJ-UHFFFAOYSA-N 1 0 329.448 2.089 50 0 EEAARO CCN(C[C@@H]1CCCO1)C(=O)c1ccc(N2CC[NH+](C)CC2)cc1 ZINC000065417810 462767919 /nfs/dbraw/zinc/76/79/19/462767919.db2.gz HJCQOPIYDFVFDV-SFHVURJKSA-N 1 0 331.460 2.080 50 0 EEAARO CN(C[C@H]1CCC[NH2+]C1)C(=O)c1ccc(CSc2ncccn2)o1 ZINC000065425624 462768650 /nfs/dbraw/zinc/76/86/50/462768650.db2.gz JTKBBCLNADAFNQ-ZDUSSCGKSA-N 1 0 346.456 2.434 50 0 EEAARO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)c1cccc(Cl)c1 ZINC000090608973 462802260 /nfs/dbraw/zinc/80/22/60/462802260.db2.gz UGYOLLAXGDTMCB-CYBMUJFWSA-N 1 0 348.921 2.398 50 0 EEAARO C[NH+](C)C[C@@H]1CSCCCN1C(=O)Nc1ccc2c(c1)OCO2 ZINC000090608919 462802934 /nfs/dbraw/zinc/80/29/34/462802934.db2.gz YVGSOWHHZQVILN-CYBMUJFWSA-N 1 0 337.445 2.316 50 0 EEAARO COc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1OCC(C)C ZINC000009834696 462807906 /nfs/dbraw/zinc/80/79/06/462807906.db2.gz NOTURGQUVMUCED-CQSZACIVSA-N 1 0 327.446 2.007 50 0 EEAARO C[N@@H+]1CCN(Cc2nccs2)C[C@@]12CCC(=O)N(CC1CC1)CC2 ZINC000091381014 462876404 /nfs/dbraw/zinc/87/64/04/462876404.db2.gz BFIGVEONEGZKHB-SFHVURJKSA-N 1 0 348.516 2.052 50 0 EEAARO Cc1cc(C(F)(F)F)nc(CNC(=O)[C@H]2CCCCC[N@H+]2C)n1 ZINC000091390722 462876701 /nfs/dbraw/zinc/87/67/01/462876701.db2.gz WSXZHLSPHMSHIX-LLVKDONJSA-N 1 0 330.354 2.294 50 0 EEAARO COCc1ccc(C(=O)N2C[C@H]([NH3+])[C@@H](c3ccc(OC)cc3)C2)o1 ZINC000091411561 462877698 /nfs/dbraw/zinc/87/76/98/462877698.db2.gz FYIITTSJBCFXOX-CVEARBPZSA-N 1 0 330.384 2.002 50 0 EEAARO COCC[C@]1(CO)CCC[N@H+](Cc2cc3c(cc2C)OCCO3)C1 ZINC000091617050 462891871 /nfs/dbraw/zinc/89/18/71/462891871.db2.gz BREUTEZVHZWEID-LJQANCHMSA-N 1 0 335.444 2.377 50 0 EEAARO CCC[C@H]1C[N@@H+](C2CCCC2)C[C@@H]1NC(=O)CCc1nnc(C)[nH]1 ZINC000091616522 462892337 /nfs/dbraw/zinc/89/23/37/462892337.db2.gz SLGAXRGVYZQPDI-HOCLYGCPSA-N 1 0 333.480 2.205 50 0 EEAARO O=C1N(CCC2CCCCC2)CCC[C@]1(O)C[N@@H+]1CCCOCC1 ZINC000014950854 462934987 /nfs/dbraw/zinc/93/49/87/462934987.db2.gz JNJDEWCNMUTVMO-IBGZPJMESA-N 1 0 338.492 2.033 50 0 EEAARO CCc1cc(C(=O)OC)c(NC(=S)NC2CC[NH+](C)CC2)s1 ZINC000017071474 462994573 /nfs/dbraw/zinc/99/45/73/462994573.db2.gz MQXJKPRQYOQSGZ-UHFFFAOYSA-N 1 0 341.502 2.478 50 0 EEAARO O=C(C[C@@H]1C[NH2+]CCO1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000077554991 463005635 /nfs/dbraw/zinc/00/56/35/463005635.db2.gz MTWGKTNFOOHGFC-CQSZACIVSA-N 1 0 338.835 2.088 50 0 EEAARO CC[N@@H+]1CCO[C@H](CCNC(=O)NC23CC4CC(CC(C4)C2)C3)C1 ZINC000067540387 463017283 /nfs/dbraw/zinc/01/72/83/463017283.db2.gz CMMHCLTWAUZJNV-YMVOSSCXSA-N 1 0 335.492 2.365 50 0 EEAARO C[NH+]1CCN(c2ccc(NC(=O)Cc3c[nH]c4ccccc34)cn2)CC1 ZINC000020373729 463025732 /nfs/dbraw/zinc/02/57/32/463025732.db2.gz JPLNBDPRFLWKIO-UHFFFAOYSA-N 1 0 349.438 2.496 50 0 EEAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)CCc2[nH]nc3c2CCCC3)C1 ZINC000067649441 463030655 /nfs/dbraw/zinc/03/06/55/463030655.db2.gz ADGZNIMIQUGOJH-AWEZNQCLSA-N 1 0 330.476 2.306 50 0 EEAARO COCC(=O)Nc1cc(C2=CCC[N@@H+]([C@H]3C=CCCC3)C2)nn1C ZINC000067695896 463038461 /nfs/dbraw/zinc/03/84/61/463038461.db2.gz SPUUCGZODJSGMR-HNNXBMFYSA-N 1 0 330.432 2.203 50 0 EEAARO O=C(NC[C@@H]1CC[N@H+](Cc2ccco2)C1)c1cn2ccsc2n1 ZINC000067774069 463049303 /nfs/dbraw/zinc/04/93/03/463049303.db2.gz DUFMJBDFESDUNT-LBPRGKRZSA-N 1 0 330.413 2.241 50 0 EEAARO Cc1cc(C)c2c(ncnc2NCCC[N@@H+]2CCCC[C@H]2CO)n1 ZINC000095360106 463068628 /nfs/dbraw/zinc/06/86/28/463068628.db2.gz UDDXPPNPFIWFPK-HNNXBMFYSA-N 1 0 329.448 2.290 50 0 EEAARO Cn1cnnc1C1CCN(C(=O)[C@@H]2CCC[N@@H+](C3CCCC3)C2)CC1 ZINC000095375369 463070998 /nfs/dbraw/zinc/07/09/98/463070998.db2.gz YGCISWWKKOPWDE-MRXNPFEDSA-N 1 0 345.491 2.176 50 0 EEAARO Cc1noc(C)c1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1CCOCC1)C2 ZINC000095391228 463072886 /nfs/dbraw/zinc/07/28/86/463072886.db2.gz BVGZAEQGXQKHRW-GOEBONIOSA-N 1 0 333.432 2.007 50 0 EEAARO Cc1cccc(=O)n1CCCNC(=O)[C@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095387359 463073323 /nfs/dbraw/zinc/07/33/23/463073323.db2.gz HRVXGVQVYNRPMA-KRWDZBQOSA-N 1 0 345.487 2.318 50 0 EEAARO Cc1nc(NCCC(=O)Nc2nccs2)cc([C@H]2CCC[NH2+]C2)n1 ZINC000067967180 463074514 /nfs/dbraw/zinc/07/45/14/463074514.db2.gz PRBKGXDMRRMECW-LBPRGKRZSA-N 1 0 346.460 2.149 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000095479100 463093866 /nfs/dbraw/zinc/09/38/66/463093866.db2.gz QPEMLXGOHVTTQG-CQSZACIVSA-N 1 0 328.416 2.299 50 0 EEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCCc1csc(-c2ncccn2)n1 ZINC000095512544 463099550 /nfs/dbraw/zinc/09/95/50/463099550.db2.gz WBIOBGYTHMCQCA-CQSZACIVSA-N 1 0 345.472 2.133 50 0 EEAARO CC(C)n1ccnc1CN1CC[N@H+](Cc2ccccc2)C[C@H](O)C1 ZINC000095524691 463103946 /nfs/dbraw/zinc/10/39/46/463103946.db2.gz XAMRETSDVQQZFR-SFHVURJKSA-N 1 0 328.460 2.143 50 0 EEAARO CCCc1cnc(C)nc1N1CCC([NH2+]CCc2c[nH]cn2)CC1 ZINC000095523261 463104481 /nfs/dbraw/zinc/10/44/81/463104481.db2.gz BTRBKCSOEOFPPY-UHFFFAOYSA-N 1 0 328.464 2.262 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN(c2cc(OC(C)C)nc(N)n2)CC1 ZINC000096138132 463185322 /nfs/dbraw/zinc/18/53/22/463185322.db2.gz SCFHPJKSIMBYEO-UHFFFAOYSA-N 1 0 342.447 2.266 50 0 EEAARO c1cc(C2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)n[nH]1 ZINC000097217508 463349836 /nfs/dbraw/zinc/34/98/36/463349836.db2.gz DLTOHPRZVWZHRO-UHFFFAOYSA-N 1 0 333.461 2.082 50 0 EEAARO O=C(C[C@H]1C[NH2+]CCO1)N(CCc1ccccc1)Cc1ccccn1 ZINC000097610128 463359839 /nfs/dbraw/zinc/35/98/39/463359839.db2.gz DJIVFXMGXZMRJD-IBGZPJMESA-N 1 0 339.439 2.031 50 0 EEAARO Cc1nc(N(C)C)ncc1C(=O)N(C)[C@@H](C[NH+](C)C)c1ccccc1 ZINC000097742798 463362326 /nfs/dbraw/zinc/36/23/26/463362326.db2.gz MSQCWNSVYJCUTO-KRWDZBQOSA-N 1 0 341.459 2.226 50 0 EEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)c1ccc2cccc(Cl)c2n1 ZINC000097815362 463363993 /nfs/dbraw/zinc/36/39/93/463363993.db2.gz ASBVUZWEVMVROQ-CQSZACIVSA-N 1 0 347.846 2.465 50 0 EEAARO Cn1nc(CO)c2c1CCN(Cc1ccc(C[NH+]3CCCC3)s1)C2 ZINC000097814871 463364039 /nfs/dbraw/zinc/36/40/39/463364039.db2.gz BNSKQCDZJUHNBZ-UHFFFAOYSA-N 1 0 346.500 2.128 50 0 EEAARO COc1cccc(CN2CC[N@H+](CC(C)C)[C@H](CCO)C2)c1OC ZINC000104412724 463414814 /nfs/dbraw/zinc/41/48/14/463414814.db2.gz OFODVSRKABGYNL-QGZVFWFLSA-N 1 0 336.476 2.228 50 0 EEAARO CC(C)(C)OC(=O)N1C[C@@H](O)[C@H]([NH2+]CCc2cccc(Cl)c2)C1 ZINC000034926286 463429514 /nfs/dbraw/zinc/42/95/14/463429514.db2.gz KYQKXXGTNROADM-HUUCEWRRSA-N 1 0 340.851 2.452 50 0 EEAARO COc1ccc(CNC(=O)[C@@H]2Cc3ccccc3C[NH2+]2)cc1OC ZINC000035485099 463432318 /nfs/dbraw/zinc/43/23/18/463432318.db2.gz GLMYCIIBXGERTJ-INIZCTEOSA-N 1 0 326.396 2.035 50 0 biogenic EEAARO CC[C@@H]1CN(Cc2nc(-c3ccccc3C)no2)CC[N@@H+]1C[C@H](C)O ZINC000106906705 463549072 /nfs/dbraw/zinc/54/90/72/463549072.db2.gz MJERUZUAIHOUKF-JKSUJKDBSA-N 1 0 344.459 2.322 50 0 EEAARO Cc1ccc([C@H](CNC(=O)c2ccc3n[nH]nc3c2)[NH+]2CCCC2)o1 ZINC000058342640 463581845 /nfs/dbraw/zinc/58/18/45/463581845.db2.gz LSQMPUJMUUVFOG-INIZCTEOSA-N 1 0 339.399 2.426 50 0 EEAARO C[N@@H+]1CCN(Cc2cscn2)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000108019982 463588199 /nfs/dbraw/zinc/58/81/99/463588199.db2.gz HNGVJQRWHZKIMI-GOSISDBHSA-N 1 0 348.516 2.052 50 0 EEAARO O=C(NCCc1cc2ccccc2o1)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000110610986 463660623 /nfs/dbraw/zinc/66/06/23/463660623.db2.gz NNHWDKPMCVOXGN-RDJZCZTQSA-N 1 0 343.427 2.138 50 0 EEAARO CCOc1cc(CNc2cc(C3CC([NH3+])C3)nc(N)n2)ccc1OC ZINC000219867159 464112436 /nfs/dbraw/zinc/11/24/36/464112436.db2.gz QWZRFKIQAIPTQI-UHFFFAOYSA-N 1 0 343.431 2.283 50 0 EEAARO CC(C)C[C@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1ncnn1C ZINC000223389644 464142081 /nfs/dbraw/zinc/14/20/81/464142081.db2.gz NBXOHXJTGNQDAH-HNNXBMFYSA-N 1 0 333.480 2.427 50 0 EEAARO O=C(CCCc1ccc(F)cc1)N1CC[N@H+](CC2CC2)[C@@H](CCO)C1 ZINC000223712481 464146624 /nfs/dbraw/zinc/14/66/24/464146624.db2.gz NVGRSNQIXUHKFX-IBGZPJMESA-N 1 0 348.462 2.454 50 0 EEAARO O=C(CCCc1ccc(F)cc1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000230480655 464204498 /nfs/dbraw/zinc/20/44/98/464204498.db2.gz NVGRSNQIXUHKFX-LJQANCHMSA-N 1 0 348.462 2.454 50 0 EEAARO CN(Cc1ccc2ccccc2n1)c1cc([C@H]2C[C@@H](O)C2)[nH+]c(N)n1 ZINC000252536438 464981452 /nfs/dbraw/zinc/98/14/52/464981452.db2.gz IOQPOOHKWNAJDI-OTVXOJSOSA-N 1 0 335.411 2.482 50 0 EEAARO CC(C)[N@@H+]1CC[C@@H](CNC(=O)N(C)Cc2noc3c2CCCC3)C1 ZINC000426488462 467142359 /nfs/dbraw/zinc/14/23/59/467142359.db2.gz RCGPSWAJNWNDMV-AWEZNQCLSA-N 1 0 334.464 2.425 50 0 EEAARO Cc1c[nH]c(CN(C)C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000534574496 468263957 /nfs/dbraw/zinc/26/39/57/468263957.db2.gz BCGDCKVPJUNFRP-INIZCTEOSA-N 1 0 329.448 2.471 50 0 EEAARO CCc1nccn1C[C@H](C)[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000584889855 468955946 /nfs/dbraw/zinc/95/59/46/468955946.db2.gz ISSVEZUNAHFWQM-INIZCTEOSA-N 1 0 327.476 2.483 50 0 EEAARO COc1cccc(N2C[C@@H]([NH2+]C3CSCCSC3)CC2=O)c1 ZINC000584893266 468957843 /nfs/dbraw/zinc/95/78/43/468957843.db2.gz DCMDJTWJZHFMPD-LBPRGKRZSA-N 1 0 338.498 2.239 50 0 EEAARO Cc1ccc(C[NH+]2CCC(Cn3cnc4nccnc4c3=O)CC2)o1 ZINC000584897561 468958814 /nfs/dbraw/zinc/95/88/14/468958814.db2.gz NHNDMFCRHSXMCV-UHFFFAOYSA-N 1 0 339.399 2.000 50 0 EEAARO COc1ccc(-n2c(C[NH3+])nnc2SC[C@H]2CCCOC2)cc1 ZINC000426430735 536552078 /nfs/dbraw/zinc/55/20/78/536552078.db2.gz MADOXXUDDVHQIA-LBPRGKRZSA-N 1 0 334.445 2.253 50 0 EEAARO Cc1nc(N2CC[C@@H](C[NH+](C)C)[C@H](O)C2)nc2cc3c(cc12)CCC3 ZINC000067690580 691069005 /nfs/dbraw/zinc/06/90/05/691069005.db2.gz KQPRRVVGXHUALJ-QFBILLFUSA-N 1 0 340.471 2.176 50 0 EEAARO CC(C)n1cc(C(=O)N2CCC[N@H+](CC[C@H]3CCOC3)CC2)cn1 ZINC000989466720 691956283 /nfs/dbraw/zinc/95/62/83/691956283.db2.gz DKQJIRPQPIHCAG-INIZCTEOSA-N 1 0 334.464 2.039 50 0 EEAARO COc1cc(CN(CC[NH+](C)C)Cc2[nH]cnc2C)cc2c1OCO2 ZINC001772701232 1179283146 /nfs/dbraw/zinc/28/31/46/1179283146.db2.gz JKSLOJYCDLGVTH-UHFFFAOYSA-N 1 0 346.431 2.019 50 0 EEAARO CC(=O)N1CCC(NC(=O)C[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000104699707 1204655513 /nfs/dbraw/zinc/65/55/13/1204655513.db2.gz XIICVKWXIPZUFX-FQEVSTJZSA-N 1 0 343.471 2.245 50 0 EEAARO CC[NH2+][C@H]1CCc2c(c(C(=O)N3CCc4ccccc4C3)nn2C)C1 ZINC000014741354 1225933370 /nfs/dbraw/zinc/93/33/70/1225933370.db2.gz YQMLNGAJWWEOMN-INIZCTEOSA-N 1 0 338.455 2.085 50 0 EEAARO c1cc(C[NH2+]Cc2cccnc2N2CCOCC2)n(-c2ccccn2)c1 ZINC000019227253 1229225794 /nfs/dbraw/zinc/22/57/94/1229225794.db2.gz KANFDKXKUVJBNQ-UHFFFAOYSA-N 1 0 349.438 2.394 50 0 EEAARO Cc1nc(Cc2n[nH]c([C@H](C)[NH3+])n2)n(-c2cccc3ccccc32)n1 ZINC000067833805 1250092985 /nfs/dbraw/zinc/09/29/85/1250092985.db2.gz AVPOVTKYDACWCE-NSHDSACASA-N 1 0 333.399 2.458 50 0 EEAARO COc1ccc2c(c1O)-c1c(c(CC[NH+](C)C)cc(OC)c1O)C2=O ZINC000238782151 1367001754 /nfs/dbraw/zinc/00/17/54/1367001754.db2.gz NAQHNUUPLJAHRT-UHFFFAOYSA-N 1 0 343.379 2.431 50 0 biogenic EEAARO O=C(c1cccc2cc[nH]c21)N1CCC([NH+]2CCC(O)CC2)CC1 ZINC000072163739 1370312300 /nfs/dbraw/zinc/31/23/00/1370312300.db2.gz QZHHZJCJQJFQJA-UHFFFAOYSA-N 1 0 327.428 2.229 50 0 EEAARO COc1cccc2c1OC[C@@H](N1CCN(c3cc[nH+]cc3)CC1)C2 ZINC000106584097 776500215 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Cc1cccc2nc(CN3CC[NH+](Cc4ccccc4)CC3)cc(=O)n12 ZINC000022817274 202092653 /nfs/dbraw/zinc/09/26/53/202092653.db2.gz AFLVLZYRODOOGU-UHFFFAOYSA-N 1 0 348.450 2.321 50 0 EEAARO CC(C)=CC[N@H+]1CCN(Cc2c(C)nn(C)c2Cl)C[C@@H]1CCO ZINC000022932838 202095089 /nfs/dbraw/zinc/09/50/89/202095089.db2.gz BVFZKRVEJPLYPH-HNNXBMFYSA-N 1 0 340.899 2.217 50 0 EEAARO Cc1cc(NC(=O)CN2CCC[N@H+](Cc3ccccc3)CC2)on1 ZINC000025438038 202131560 /nfs/dbraw/zinc/13/15/60/202131560.db2.gz UYBATDFZYBPACK-UHFFFAOYSA-N 1 0 328.416 2.129 50 0 EEAARO CC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)C(=O)Nc1cc(C)on1 ZINC000030009009 202192740 /nfs/dbraw/zinc/19/27/40/202192740.db2.gz AUTPRPHNNSLDQE-CQSZACIVSA-N 1 0 345.399 2.304 50 0 EEAARO CCNc1nc(NCCNC(=O)Cc2ccc(F)cc2)cc(C)[nH+]1 ZINC000070655581 202336901 /nfs/dbraw/zinc/33/69/01/202336901.db2.gz VNSRXOIUEQFEHT-UHFFFAOYSA-N 1 0 331.395 2.127 50 0 EEAARO Cc1nn(C)c(Cl)c1CN1CC[N@H+](C2CCCC2)[C@H](CCO)C1 ZINC000036385621 202323968 /nfs/dbraw/zinc/32/39/68/202323968.db2.gz 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/nfs/dbraw/zinc/18/31/05/241183105.db2.gz NIRNLVBJABAIIN-UHFFFAOYSA-N 1 0 336.505 2.255 50 0 EEAARO CCC[N@@H+]1CCC[C@@H](NC(=O)N(CCCO)Cc2ccccc2)C1 ZINC000426699854 241328664 /nfs/dbraw/zinc/32/86/64/241328664.db2.gz CPERWEPPKYJKAU-GOSISDBHSA-N 1 0 333.476 2.455 50 0 EEAARO O=C(Cn1nccc1[C@H]1CCC[NH2+]C1)NCCCc1ccccc1 ZINC000426531556 241304863 /nfs/dbraw/zinc/30/48/63/241304863.db2.gz HZBFKBSLOFHDMC-KRWDZBQOSA-N 1 0 326.444 2.099 50 0 EEAARO COc1ccc(OCCC[NH3+])c(C(=O)N2Cc3cnc(C)cc3C2)c1 ZINC000426551746 241307967 /nfs/dbraw/zinc/30/79/67/241307967.db2.gz DBGRMHVOHHIPST-UHFFFAOYSA-N 1 0 341.411 2.282 50 0 EEAARO Cn1nnnc1SCCC[NH2+]Cc1ccc(Br)cc1 ZINC000004993796 201631864 /nfs/dbraw/zinc/63/18/64/201631864.db2.gz LOIDOFDRXMYVGE-UHFFFAOYSA-N 1 0 342.266 2.245 50 0 EEAARO O=C(C[C@H]1Oc2ccccc2NC1=O)NCCC[NH+]1CCCCCC1 ZINC000005035904 201634436 /nfs/dbraw/zinc/63/44/36/201634436.db2.gz VBOAUTLPFHJQAH-QGZVFWFLSA-N 1 0 345.443 2.159 50 0 EEAARO CC(C)[C@@H]1C[N@H+](CCOCCO)CCCN1Cc1ccc(F)cc1 ZINC000071707974 203103761 /nfs/dbraw/zinc/10/37/61/203103761.db2.gz FLQJOUHIDJLYLB-IBGZPJMESA-N 1 0 338.467 2.367 50 0 EEAARO Cc1ncn(-c2cc(NCCNC(=O)C(C)(C)C)[nH+]c(C)n2)c1C ZINC000072442516 203225303 /nfs/dbraw/zinc/22/53/03/203225303.db2.gz AVJPYBQZSOOSAN-UHFFFAOYSA-N 1 0 330.436 2.162 50 0 EEAARO C[NH+](C)C[C@H]1COCCN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072454481 203228229 /nfs/dbraw/zinc/22/82/29/203228229.db2.gz AUKZRMHTSWGFSY-QGZVFWFLSA-N 1 0 348.487 2.040 50 0 EEAARO c1c(CN2CCCN(c3cc[nH+]cc3)CC2)nnn1-c1ccccc1 ZINC000072408865 203216474 /nfs/dbraw/zinc/21/64/74/203216474.db2.gz FFDVTSDFJJJHJD-UHFFFAOYSA-N 1 0 334.427 2.375 50 0 EEAARO CCOCc1nc2c(c(NCCc3ccccc3F)n1)CC[NH2+]CC2 ZINC000072410158 203218000 /nfs/dbraw/zinc/21/80/00/203218000.db2.gz WUOXDEQGQZDLCP-UHFFFAOYSA-N 1 0 344.434 2.495 50 0 EEAARO COc1ccccc1OC1CCN(C(=O)[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000077378219 203384455 /nfs/dbraw/zinc/38/44/55/203384455.db2.gz QWINOGPAQWQIRA-OAHLLOKOSA-N 1 0 332.444 2.407 50 0 EEAARO C[C@H](C(=O)NC1CCCCC1)[N@H+](C)C[C@@H](O)COCc1ccccc1 ZINC000106800060 204211146 /nfs/dbraw/zinc/21/11/46/204211146.db2.gz SYDNKODXKAJGAY-VQIMIIECSA-N 1 0 348.487 2.333 50 0 EEAARO C[NH+](C)CCCNS(=O)(=O)Cc1ccc(Cl)c(Cl)c1 ZINC000010111489 206554851 /nfs/dbraw/zinc/55/48/51/206554851.db2.gz ZPXRJOVKCSPTNC-UHFFFAOYSA-N 1 0 325.261 2.365 50 0 EEAARO CSCCC[N@@H+]1C[C@H](NC(=O)c2ncoc2C)[C@@H](C(C)C)C1 ZINC000091871353 218081216 /nfs/dbraw/zinc/08/12/16/218081216.db2.gz JPBDOJJTKRJDKN-KGLIPLIRSA-N 1 0 325.478 2.422 50 0 EEAARO Cn1cccc1[C@@H](CNS(=O)(=O)c1cccs1)N1CCCC1 ZINC000011846848 207001858 /nfs/dbraw/zinc/00/18/58/207001858.db2.gz IMEAJILRQWIELW-CQSZACIVSA-N 1 0 339.486 2.202 50 0 EEAARO C[C@@H]1C[NH+](C[C@@H](O)COCCOc2ccc(Cl)cc2)C[C@@H](C)O1 ZINC000012377675 207128160 /nfs/dbraw/zinc/12/81/60/207128160.db2.gz BZTYRRSXABACSU-IIAWOOMASA-N 1 0 343.851 2.206 50 0 EEAARO Cc1ccc(NC(=O)C(=O)NCC2CC[NH+](C(C)C)CC2)cc1F ZINC000012441390 207145876 /nfs/dbraw/zinc/14/58/76/207145876.db2.gz NRDDISVYYFSFDQ-UHFFFAOYSA-N 1 0 335.423 2.309 50 0 EEAARO COc1cc(C(=O)N2CCC3(CC2)C[N@H+](C)CCCN3C)ccc1F ZINC000299776655 258087066 /nfs/dbraw/zinc/08/70/66/258087066.db2.gz BZTRYZUWCLCLHY-UHFFFAOYSA-N 1 0 349.450 2.076 50 0 EEAARO Cc1nc(N)sc1C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000299788036 258094203 /nfs/dbraw/zinc/09/42/03/258094203.db2.gz UTSGZTVDNISLQW-UHFFFAOYSA-N 1 0 344.484 2.427 50 0 EEAARO COCCO[C@H]1[C@H](NC(=O)C(C)C)c2ccccc2C12CC[NH2+]CC2 ZINC000299793254 258098773 /nfs/dbraw/zinc/09/87/73/258098773.db2.gz IDOQJAXQKIWHAH-MSOLQXFVSA-N 1 0 346.471 2.166 50 0 EEAARO O=C(CN1CCOC1=O)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299794210 258099368 /nfs/dbraw/zinc/09/93/68/258099368.db2.gz JQIJDHVACZZLAG-KRWDZBQOSA-N 1 0 345.443 2.172 50 0 EEAARO Cc1cc(C)c(OCCNC(=O)N2C[C@H]3[C@H](C[NH+](C)C)[C@H]3C2)c(C)c1 ZINC000534647990 468269729 /nfs/dbraw/zinc/26/97/29/468269729.db2.gz WTHSYVBTFCYHDU-NNZMDNLPSA-N 1 0 345.487 2.440 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1cocn1)Cc1cocn1 ZINC000534643535 468269877 /nfs/dbraw/zinc/26/98/77/468269877.db2.gz PKYPBXKZAZPRSP-CQSZACIVSA-N 1 0 347.419 2.249 50 0 EEAARO C[NH+]1C(C)(C)CC(NC(=O)CCNC(=O)c2ccco2)CC1(C)C ZINC000001420925 462581050 /nfs/dbraw/zinc/58/10/50/462581050.db2.gz CTQGSBKGWBOINB-UHFFFAOYSA-N 1 0 335.448 2.167 50 0 EEAARO COc1ccc(C(=O)Cn2c3ccccc3nc2NCCO)cc1 ZINC000001808425 462587965 /nfs/dbraw/zinc/58/79/65/462587965.db2.gz AQTLMTIRBDZJOH-UHFFFAOYSA-N 1 0 325.368 2.332 50 0 EEAARO COCCC[NH2+]CCOCCOc1ccccc1Br ZINC000002974974 462608533 /nfs/dbraw/zinc/60/85/33/462608533.db2.gz UZTRDWZTVDBPDM-UHFFFAOYSA-N 1 0 332.238 2.471 50 0 EEAARO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)COc2cccc(C)c2C)C1 ZINC000004305062 462630882 /nfs/dbraw/zinc/63/08/82/462630882.db2.gz CXOXHMDERBJSAX-SJORKVTESA-N 1 0 335.444 2.318 50 0 EEAARO C[C@@H]1CCC[C@H](C)[N@H+]1C[C@@H](O)COC[C@@H]1COc2ccccc2O1 ZINC000005610938 462664392 /nfs/dbraw/zinc/66/43/92/462664392.db2.gz QSWWVPTUDPLALI-YYIAUSFCSA-N 1 0 335.444 2.467 50 0 EEAARO CC(C)OC[C@H](O)C[NH+]1CCC(O)(c2ccc(Cl)cc2)CC1 ZINC000005977156 462673413 /nfs/dbraw/zinc/67/34/13/462673413.db2.gz FDCRZRZBGOVJIZ-MRXNPFEDSA-N 1 0 327.852 2.409 50 0 EEAARO Cc1ncccc1OC1(C(=O)N2CC=C[C@H]2C(C)C)CC[NH2+]CC1 ZINC000065396868 462763402 /nfs/dbraw/zinc/76/34/02/462763402.db2.gz KXWIXOSYFKXKJH-INIZCTEOSA-N 1 0 329.444 2.314 50 0 EEAARO CCc1cc(NCc2nc(C)cc(=O)[nH]2)nc(N2CCCCC2)[nH+]1 ZINC000065396658 462764103 /nfs/dbraw/zinc/76/41/03/462764103.db2.gz ZSXRRJRPEFFPMI-UHFFFAOYSA-N 1 0 328.420 2.033 50 0 EEAARO CC(=O)N(C)Cc1cc(C2=CCC[N@H+](CCn3cccc3)C2)no1 ZINC000065434901 462770169 /nfs/dbraw/zinc/77/01/69/462770169.db2.gz KJZXZRRCZYTCTN-UHFFFAOYSA-N 1 0 328.416 2.244 50 0 EEAARO CC[NH+](CC)[C@@H](C)CNC(=O)c1ccccc1OCc1noc(C)n1 ZINC000065452215 462773428 /nfs/dbraw/zinc/77/34/28/462773428.db2.gz SWCPMMYCDUWBQO-ZDUSSCGKSA-N 1 0 346.431 2.417 50 0 EEAARO CC(C)n1cc(C[NH2+][C@H]2CC(=O)N(C3Cc4ccccc4C3)C2)cn1 ZINC000012194629 462847511 /nfs/dbraw/zinc/84/75/11/462847511.db2.gz 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CC(C)Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1 ZINC000013165315 462887065 /nfs/dbraw/zinc/88/70/65/462887065.db2.gz AOFDUGOYNXOKSB-MAUKXSAKSA-N 1 0 345.487 2.260 50 0 EEAARO CC(C)N1CCC[C@]2(CC[N@H+](Cc3ccc(N(C)C)nc3)C2)C1=O ZINC000091574409 462889707 /nfs/dbraw/zinc/88/97/07/462889707.db2.gz JAVANWNHUGQFPE-LJQANCHMSA-N 1 0 330.476 2.371 50 0 EEAARO O=C(Cn1nnc2ccccc21)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000014138401 462913661 /nfs/dbraw/zinc/91/36/61/462913661.db2.gz PPXIYLNDCWYYOR-UHFFFAOYSA-N 1 0 349.438 2.344 50 0 EEAARO Cc1cc(N2CCC(c3nccn3Cc3ccccn3)CC2)nc(N)[nH+]1 ZINC000091998127 462917570 /nfs/dbraw/zinc/91/75/70/462917570.db2.gz BHYKEFUVUWZVQP-UHFFFAOYSA-N 1 0 349.442 2.391 50 0 EEAARO COCc1noc(CC[NH2+]Cc2cc(=O)c3cc(C)cc(C)c3[nH]2)n1 ZINC000092022264 462920476 /nfs/dbraw/zinc/92/04/76/462920476.db2.gz YOSBSMFJGUMMHC-UHFFFAOYSA-N 1 0 342.399 2.007 50 0 EEAARO COc1ccccc1CNC(=O)CC[N@@H+]1CC[C@](C)(O)C(C)(C)C1 ZINC000092046832 462923789 /nfs/dbraw/zinc/92/37/89/462923789.db2.gz 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CCCC[NH+]1CCC(c2nnc(Cn3cncn3)n2C2CC2)CC1 ZINC000091586603 462888948 /nfs/dbraw/zinc/88/89/48/462888948.db2.gz QDLHVNPNLVSLAA-UHFFFAOYSA-N 1 0 329.452 2.232 50 0 EEAARO COc1cccc([C@H]2CN(C(=O)CCc3scnc3C)C[C@@H]2[NH3+])c1 ZINC000091656562 462897232 /nfs/dbraw/zinc/89/72/32/462897232.db2.gz AUOLROONYDLZKL-CVEARBPZSA-N 1 0 345.468 2.346 50 0 EEAARO O=C([C@H]1CCC[N@@H+](C2CCCC2)C1)N1CCN(c2nccs2)CC1 ZINC000091754836 462902976 /nfs/dbraw/zinc/90/29/76/462902976.db2.gz OOLBRHOLAKILIC-HNNXBMFYSA-N 1 0 348.516 2.446 50 0 EEAARO O=C(CCn1cccc1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccncc1)C2 ZINC000091987817 462915909 /nfs/dbraw/zinc/91/59/09/462915909.db2.gz ARZBZRQIHUOORQ-RBUKOAKNSA-N 1 0 338.455 2.396 50 0 EEAARO O=C(CNC(=O)c1ccccc1)OC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000017466950 463000672 /nfs/dbraw/zinc/00/06/72/463000672.db2.gz HOXLEEYZWFUSMS-IRXDYDNUSA-N 1 0 330.428 2.224 50 0 biogenic EEAARO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(OC)cc3)C2=O)cc1 ZINC000018190535 463008581 /nfs/dbraw/zinc/00/85/81/463008581.db2.gz ILRGRGOBNILXEQ-QGZVFWFLSA-N 1 0 340.379 2.126 50 0 EEAARO CC(C)CN1C(=O)N[C@](Cc2ccccc2F)(C2CC[NH2+]CC2)C1=O ZINC000067515384 463013622 /nfs/dbraw/zinc/01/36/22/463013622.db2.gz LHGZDJXCVYPZNT-LJQANCHMSA-N 1 0 347.434 2.314 50 0 EEAARO C[C@@H]1C[C@H](C)C[N@@H+](CCOc2cccc(CNN3CCOCC3)c2)C1 ZINC000067603731 463025407 /nfs/dbraw/zinc/02/54/07/463025407.db2.gz HWQVMCYYPUDTHD-HDICACEKSA-N 1 0 347.503 2.380 50 0 EEAARO CCNc1nc(NCCNC(=O)c2ccc(F)cc2F)cc(C)[nH+]1 ZINC000067613883 463027043 /nfs/dbraw/zinc/02/70/43/463027043.db2.gz VXTBYPGYSOTMHR-UHFFFAOYSA-N 1 0 335.358 2.337 50 0 EEAARO CC(C)=CCN1C(=O)N[C@@](Cc2ccccc2)(C2CC[NH2+]CC2)C1=O ZINC000067879840 463062555 /nfs/dbraw/zinc/06/25/55/463062555.db2.gz PPZNYUUAXVRKKH-FQEVSTJZSA-N 1 0 341.455 2.486 50 0 EEAARO CN(C[C@@H]1CC[N@H+](C)C1)C(=O)c1coc(COc2cccc(F)c2)n1 ZINC000067909281 463066092 /nfs/dbraw/zinc/06/60/92/463066092.db2.gz ZSVJDOTUTKZBOZ-CYBMUJFWSA-N 1 0 347.390 2.416 50 0 EEAARO O=C(CCC[NH+]1CCCCC1)N1CCC(O)(c2cccnc2)CC1 ZINC000095355768 463068308 /nfs/dbraw/zinc/06/83/08/463068308.db2.gz LHTIQRKTVZEEGW-UHFFFAOYSA-N 1 0 331.460 2.158 50 0 EEAARO Cc1cc(C)c2c(ncnc2N[C@H]2COC[C@@H]2[NH+]2CCCCC2)n1 ZINC000095360038 463068915 /nfs/dbraw/zinc/06/89/15/463068915.db2.gz XUFSSSIPJYTDNK-GJZGRUSLSA-N 1 0 327.432 2.307 50 0 EEAARO CN(C)[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1cccc(F)c1 ZINC000095377372 463071234 /nfs/dbraw/zinc/07/12/34/463071234.db2.gz JFWKJJLIBOCWFK-SFHVURJKSA-N 1 0 342.418 2.172 50 0 EEAARO O=c1cc([C@H]2CCC[N@H+](Cc3ccco3)C2)nc(-c2cnccn2)[nH]1 ZINC000067967052 463073763 /nfs/dbraw/zinc/07/37/63/463073763.db2.gz OKBLEDSFCQDKRU-ZDUSSCGKSA-N 1 0 337.383 2.200 50 0 EEAARO CCCCc1ncc(C[NH+]2CCC(c3nn(C)c(=O)n3CC)CC2)[nH]1 ZINC000067965677 463074242 /nfs/dbraw/zinc/07/42/42/463074242.db2.gz YGJPFKWGRALVJH-UHFFFAOYSA-N 1 0 346.479 2.047 50 0 EEAARO CC(=O)NCC[C@@H]1CCC[N@H+](Cc2cnn3c2nc(C)cc3C)C1 ZINC000067975175 463075141 /nfs/dbraw/zinc/07/51/41/463075141.db2.gz DXLXCHBDFPSGMF-INIZCTEOSA-N 1 0 329.448 2.084 50 0 EEAARO CCc1cnc(C)nc1N1CCC([NH2+][C@H](C)c2nnc(C)[nH]2)CC1 ZINC000095521175 463101685 /nfs/dbraw/zinc/10/16/85/463101685.db2.gz AYQHBROKALAXMX-LLVKDONJSA-N 1 0 329.452 2.094 50 0 EEAARO Cc1n[nH]c(C)c1CCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000078558450 463128111 /nfs/dbraw/zinc/12/81/11/463128111.db2.gz LDZPFNWUAASEHL-KRWDZBQOSA-N 1 0 326.444 2.350 50 0 EEAARO CC[C@@H]([NH2+]CCN1CCc2ccccc2C1)C(=O)Nc1cc(C)on1 ZINC000028340768 463222875 /nfs/dbraw/zinc/22/28/75/463222875.db2.gz NIFYDYFQKARYFN-QGZVFWFLSA-N 1 0 342.443 2.348 50 0 EEAARO CC(=O)Oc1c(C)cc(C[NH2+]CCNC(=O)c2cccnc2)cc1C ZINC000055271634 463302849 /nfs/dbraw/zinc/30/28/49/463302849.db2.gz AQWBLAMDOWCXQI-UHFFFAOYSA-N 1 0 341.411 2.143 50 0 EEAARO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccn2cnnc2c1 ZINC000097468669 463358576 /nfs/dbraw/zinc/35/85/76/463358576.db2.gz JRUJWJUXHHZMCZ-KRWDZBQOSA-N 1 0 335.411 2.124 50 0 EEAARO Cc1ncsc1CCC(=O)N1CC[NH+](C2CCSCC2)CC1 ZINC000097797716 463363081 /nfs/dbraw/zinc/36/30/81/463363081.db2.gz FGFXIKQHVJXCLM-UHFFFAOYSA-N 1 0 339.530 2.424 50 0 EEAARO C1=CC[NH+]([C@H]2CCN(c3ncnc4c3cnn4-c3ccccc3)C2)C1 ZINC000101341819 463377472 /nfs/dbraw/zinc/37/74/72/463377472.db2.gz XQJOIENLHFLBJI-INIZCTEOSA-N 1 0 332.411 2.266 50 0 EEAARO CSc1ncc(CN2CC[N@H+](CC(C)(C)C)[C@H](CCO)C2)cn1 ZINC000104400608 463413037 /nfs/dbraw/zinc/41/30/37/463413037.db2.gz ISUGPFJLCROVGS-OAHLLOKOSA-N 1 0 338.521 2.113 50 0 EEAARO Cc1cc(S(=O)(=O)NCC[C@H]2CC[NH2+]C2)ccc1Br ZINC000104363189 463413792 /nfs/dbraw/zinc/41/37/92/463413792.db2.gz PRWBYUXFTJYILU-LLVKDONJSA-N 1 0 347.278 2.035 50 0 EEAARO C[NH+]1CCN([C@@H](CNC(=O)NC2CC2)c2ccccc2Cl)CC1 ZINC000036075786 463434457 /nfs/dbraw/zinc/43/44/57/463434457.db2.gz UFRFHARDOJKAPH-INIZCTEOSA-N 1 0 336.867 2.090 50 0 EEAARO O=C(CC[N@@H+]1Cc2ccccc2[C@@H](O)C1)NCc1ccccc1F ZINC000082083709 463511648 /nfs/dbraw/zinc/51/16/48/463511648.db2.gz UAVBLQGCVISHPE-SFHVURJKSA-N 1 0 328.387 2.381 50 0 EEAARO O=C1N(Cc2cncn2C2CC2)c2ccccc2NC12CC[NH2+]CC2 ZINC000082106965 463514085 /nfs/dbraw/zinc/51/40/85/463514085.db2.gz PJTGFYJKBYTFPX-UHFFFAOYSA-N 1 0 337.427 2.299 50 0 EEAARO Cc1cc(N2CCN(C(=O)c3ccnn3C(F)F)CC2)cc(C)[nH+]1 ZINC000082133655 463516840 /nfs/dbraw/zinc/51/68/40/463516840.db2.gz QOIJNRZDRPERTO-UHFFFAOYSA-N 1 0 335.358 2.252 50 0 EEAARO O=C(C[C@@H]1COCC[NH2+]1)N1CCc2[nH]c3ccc(Cl)cc3c2C1 ZINC000082126567 463517478 /nfs/dbraw/zinc/51/74/78/463517478.db2.gz NMJJRMMCFVKBFH-GFCCVEGCSA-N 1 0 333.819 2.085 50 0 EEAARO COc1ccc(CC(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cc1OC ZINC000106842311 463541423 /nfs/dbraw/zinc/54/14/23/463541423.db2.gz ZGGORZCSJJZIFU-HZPDHXFCSA-N 1 0 332.444 2.332 50 0 EEAARO Cc1ncc(C[N@@H+]2CC[C@H](NC(=O)c3c[nH]nc3C)[C@H](C)C2)s1 ZINC000107500943 463572839 /nfs/dbraw/zinc/57/28/39/463572839.db2.gz KQRSJJRYYFMPLE-BMIGLBTASA-N 1 0 333.461 2.123 50 0 EEAARO Cc1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)c(C)n1 ZINC000221419465 464123507 /nfs/dbraw/zinc/12/35/07/464123507.db2.gz IUOGEKGAGIBTSO-KRWDZBQOSA-N 1 0 331.460 2.415 50 0 EEAARO C[C@@H]1Cc2ccccc2N1C(=O)C[N@H+](C)CCCc1nccn1C ZINC000244858555 464463319 /nfs/dbraw/zinc/46/33/19/464463319.db2.gz VNGKXXSYSUHMDR-OAHLLOKOSA-N 1 0 326.444 2.262 50 0 EEAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)C1 ZINC000584888285 468956138 /nfs/dbraw/zinc/95/61/38/468956138.db2.gz LNQRADKOFYWYRQ-QGZVFWFLSA-N 1 0 328.416 2.252 50 0 EEAARO NC(=O)[C@H]1CC[N@H+](Cc2c(-c3ccccc3)nc3sccn23)C1 ZINC000585145883 468992206 /nfs/dbraw/zinc/99/22/06/468992206.db2.gz QFCOPSYQXINBAG-ZDUSSCGKSA-N 1 0 326.425 2.370 50 0 EEAARO CC(C)n1cnnc1CC[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000670434368 485641260 /nfs/dbraw/zinc/64/12/60/485641260.db2.gz ANPAIZMAEPDYOH-UHFFFAOYSA-N 1 0 341.459 2.296 50 0 EEAARO C[N@@H+]1CC[C@](C)(CNS(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000670463609 485652677 /nfs/dbraw/zinc/65/26/77/485652677.db2.gz BKKFUPJIBBZLOE-CYBMUJFWSA-N 1 0 336.379 2.326 50 0 EEAARO Cc1ccc2c(c1)[C@H](CC(=O)N1CCC[N@@H+]3CCC[C@@H]3C1)C(=O)N2 ZINC000109838571 690179155 /nfs/dbraw/zinc/17/91/55/690179155.db2.gz NJNGMPZQIZJIFQ-ZBFHGGJFSA-N 1 0 327.428 2.118 50 0 EEAARO CCn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH+]1CCSCC1)C2 ZINC000014742049 1225935408 /nfs/dbraw/zinc/93/54/08/1225935408.db2.gz WKIXSZFMMBYIMZ-CQSZACIVSA-N 1 0 348.516 2.045 50 0 EEAARO Cc1ccc(-n2cc(CN3CCO[C@H](CC[NH+](C)C)C3)cn2)cc1 ZINC000020782849 1229614753 /nfs/dbraw/zinc/61/47/53/1229614753.db2.gz UPSVLWWETWUQRN-LJQANCHMSA-N 1 0 328.460 2.333 50 0 EEAARO O=C([C@@H]1CCOC1)N1CCC[N@H+](CCCCOc2ccccc2)CC1 ZINC001195089166 1283439298 /nfs/dbraw/zinc/43/92/98/1283439298.db2.gz LCSCKLGTGVRSEA-GOSISDBHSA-N 1 0 346.471 2.416 50 0 EEAARO Cc1cccnc1CN1CC[NH+](C[C@@H]2CCC(=O)N(C(C)C)C2)CC1 ZINC001772813914 1410371059 /nfs/dbraw/zinc/37/10/59/1410371059.db2.gz AYJMRMKDTVNHQL-SFHVURJKSA-N 1 0 344.503 2.155 50 0 EEAARO CC(C)(CN1CCOCC1)c1nccn1[C@@H]1CCC[N@@H+]2CCC[C@H]12 ZINC001772812634 1410371273 /nfs/dbraw/zinc/37/12/73/1410371273.db2.gz MZMWKQHDZAWUJI-IAGOWNOFSA-N 1 0 332.492 2.292 50 0 EEAARO CC(C)(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 ZINC000012458498 783234680 /nfs/dbraw/zinc/23/46/80/783234680.db2.gz HZXPRIOHIWFZRM-IBGZPJMESA-N 1 0 331.460 2.294 50 0 EEAARO Cc1cc(C(=O)NC2CC[NH+](C3CCSCC3)CC2)nc(C)n1 ZINC000952872191 796055785 /nfs/dbraw/zinc/05/57/85/796055785.db2.gz KAFYIYTXYXZVSG-UHFFFAOYSA-N 1 0 334.489 2.183 50 0 EEAARO CN(C[C@@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1ccc(F)cc1F ZINC000952971799 796112193 /nfs/dbraw/zinc/11/21/93/796112193.db2.gz LFXNZFIYJFBZCD-AWEZNQCLSA-N 1 0 332.416 2.211 50 0 EEAARO COCC(=O)Nc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000806408852 797774402 /nfs/dbraw/zinc/77/44/02/797774402.db2.gz GCHFMOPOKKAQLU-MRXNPFEDSA-N 1 0 333.432 2.475 50 0 EEAARO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc(OCCO)c2)C1)NC1CC1 ZINC000012056217 799700004 /nfs/dbraw/zinc/70/00/04/799700004.db2.gz DSBMDOCGOZRPJT-INIZCTEOSA-N 1 0 346.471 2.329 50 0 EEAARO CS(=O)(=O)C[C@@H]1CCC[N@@H+](C2CCN(Cc3ccco3)CC2)C1 ZINC001506396595 1114595535 /nfs/dbraw/zinc/59/55/35/1114595535.db2.gz VPQARIWKRSOGEG-OAHLLOKOSA-N 1 0 340.489 2.001 50 0 EEAARO Cc1ccc(N2CCC([NH2+]CCc3nc(N)n[nH]3)CC2)cc1Cl ZINC001506411597 1114599841 /nfs/dbraw/zinc/59/98/41/1114599841.db2.gz ZSUZBGYDSGBXPR-UHFFFAOYSA-N 1 0 334.855 2.150 50 0 EEAARO Cc1cccc(N2CCC([NH2+]C3CCS(=O)(=O)CC3)CC2)c1C ZINC001506420467 1114601714 /nfs/dbraw/zinc/60/17/14/1114601714.db2.gz DXJLJFOCBYWNBK-UHFFFAOYSA-N 1 0 336.501 2.439 50 0 EEAARO C[NH+](C)Cc1ccc([C@H]2CCCN2C(=O)c2coc(CN)n2)cc1 ZINC001506431800 1114605521 /nfs/dbraw/zinc/60/55/21/1114605521.db2.gz ZQVZXURPQUKMBT-MRXNPFEDSA-N 1 0 328.416 2.172 50 0 EEAARO Cn1ncc2c1nc(N[C@@H]1CCC[N@H+](Cc3cccs3)C1)nc2N ZINC001529120879 1121327154 /nfs/dbraw/zinc/32/71/54/1121327154.db2.gz QZXWPTWANISFQV-LLVKDONJSA-N 1 0 343.460 2.084 50 0 EEAARO C[NH+](C)Cc1ccc([C@H]2CCCCN2C(=O)CCn2cnnc2)cc1 ZINC000082107944 282148273 /nfs/dbraw/zinc/14/82/73/282148273.db2.gz BGCGYMBMISBXDR-GOSISDBHSA-N 1 0 341.459 2.484 50 0 EEAARO Cc1nn(C)c2nc(-c3ccccn3)nc(N3CC[N@@H+]4CCC[C@@H]4C3)c12 ZINC000072422979 282279292 /nfs/dbraw/zinc/27/92/92/282279292.db2.gz FKMGEYYBUOSYTM-CQSZACIVSA-N 1 0 349.442 2.018 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(-c2ccc(N(C)C)cc2)no1 ZINC000020719881 202052218 /nfs/dbraw/zinc/05/22/18/202052218.db2.gz BQFLKOUVERBADV-HNNXBMFYSA-N 1 0 343.431 2.017 50 0 EEAARO CCC[C@H](NC(=O)[C@H](C)[NH+]1CCC(C(N)=O)CC1)c1ccccc1 ZINC000020940925 202059788 /nfs/dbraw/zinc/05/97/88/202059788.db2.gz CNNJVNQCNOIRPQ-YOEHRIQHSA-N 1 0 331.460 2.230 50 0 EEAARO Cc1ccccc1OCC(=O)N1CCCC[C@@H]1CCN1CCOCC1 ZINC000027994275 202163043 /nfs/dbraw/zinc/16/30/43/202163043.db2.gz CPVDONVVCIHCKV-GOSISDBHSA-N 1 0 346.471 2.477 50 0 EEAARO COC(=O)[C@H](CC(C)C)NC(=O)C[N@H+](C)[C@@H]1CCc2ccccc21 ZINC000029810543 202191563 /nfs/dbraw/zinc/19/15/63/202191563.db2.gz BXVKBEZADOZKAN-DLBZAZTESA-N 1 0 332.444 2.310 50 0 EEAARO CCc1nnc2n1C[C@@H]([NH2+]Cc1cnn(Cc3ccccc3)c1)CC2 ZINC000097199585 237063195 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CC(C)[NH+]1CCC(CCNC(=O)NC[C@H](O)Cc2ccccc2)CC1 ZINC000426683931 241326197 /nfs/dbraw/zinc/32/61/97/241326197.db2.gz QZCQXTCLQZNKOB-LJQANCHMSA-N 1 0 347.503 2.400 50 0 EEAARO Cc1ccc(CN(CCCO)C(=O)NCC[NH+]2CCCCC2)s1 ZINC000426698444 241328391 /nfs/dbraw/zinc/32/83/91/241328391.db2.gz OHVKLXVHSSHRDC-UHFFFAOYSA-N 1 0 339.505 2.436 50 0 EEAARO Cc1ccc(F)c(-c2ccc(C(=O)NC[C@@]3(O)CC[NH2+]C3)cc2)c1 ZINC000426489615 241298629 /nfs/dbraw/zinc/29/86/29/241298629.db2.gz JUVPIWWJOFKOTL-LJQANCHMSA-N 1 0 328.387 2.255 50 0 EEAARO c1cncc(-c2nc3c(c(NCC[C@@H]4CCOC4)n2)CC[NH2+]C3)c1 ZINC000067490651 202916213 /nfs/dbraw/zinc/91/62/13/202916213.db2.gz ZEOXTXWBAXRVJK-CYBMUJFWSA-N 1 0 325.416 2.023 50 0 EEAARO O=C(c1cccs1)[C@@H]1CCCN(Cc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072128286 203165330 /nfs/dbraw/zinc/16/53/30/203165330.db2.gz UWUBLELKBCNIRA-CYBMUJFWSA-N 1 0 330.457 2.143 50 0 EEAARO O=C(N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)c1ccc[nH]c1=O ZINC000072144896 203169162 /nfs/dbraw/zinc/16/91/62/203169162.db2.gz 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243091646 /nfs/dbraw/zinc/09/16/46/243091646.db2.gz WMITWRCRHINFDG-CYBMUJFWSA-N 1 0 338.521 2.046 50 0 EEAARO CC(=O)c1ccc(N2CCN(CC[N@@H+]3C[C@H]4CC[C@@H]3C4)CC2)cc1 ZINC000244723880 243070029 /nfs/dbraw/zinc/07/00/29/243070029.db2.gz MJFZNMCZYRZCEV-FXAWDEMLSA-N 1 0 327.472 2.496 50 0 EEAARO CN1CCN(c2cccc(NC(=O)NCC[C@H]3CCC[N@@H+]3C)c2)C1=O ZINC000252485204 243782218 /nfs/dbraw/zinc/78/22/18/243782218.db2.gz GPCDXHGIMRLKBO-OAHLLOKOSA-N 1 0 345.447 2.164 50 0 EEAARO c1nc(N2CCOCC2)sc1C[NH2+][C@@H]1COc2ccccc2C1 ZINC000020295297 212117009 /nfs/dbraw/zinc/11/70/09/212117009.db2.gz FGZNMSYGUMLNDR-AWEZNQCLSA-N 1 0 331.441 2.073 50 0 EEAARO Cc1cc(C[N@@H+]2CCC[C@@H](Cn3cc(-c4ccccn4)nn3)C2)[nH]n1 ZINC000020166056 212108837 /nfs/dbraw/zinc/10/88/37/212108837.db2.gz VMRUZDNVLWPYEH-OAHLLOKOSA-N 1 0 337.431 2.284 50 0 EEAARO Cc1nnsc1C(=O)N[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000012438006 211381519 /nfs/dbraw/zinc/38/15/19/211381519.db2.gz IJKXEPMRFSFXJR-OAHLLOKOSA-N 1 0 330.457 2.283 50 0 EEAARO COc1cccc2c1OC[C@@H]([NH+]1CCC(CCNC(C)=O)CC1)C2 ZINC000012385587 211365054 /nfs/dbraw/zinc/36/50/54/211365054.db2.gz UVBNHGKVKUPBLI-KRWDZBQOSA-N 1 0 332.444 2.237 50 0 EEAARO CNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000012297160 211335725 /nfs/dbraw/zinc/33/57/25/211335725.db2.gz YJWKVLNLNNSDBP-AWEZNQCLSA-N 1 0 342.443 2.255 50 0 EEAARO C[NH+](C)[C@@H](CNC(=O)COc1ccccc1)c1ccc2c(c1)OCO2 ZINC000012196290 211317765 /nfs/dbraw/zinc/31/77/65/211317765.db2.gz KLBYOQZTXWRJHH-INIZCTEOSA-N 1 0 342.395 2.213 50 0 EEAARO CCCOCC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000091416507 218002471 /nfs/dbraw/zinc/00/24/71/218002471.db2.gz NRAAQWVHRFFFDF-UHFFFAOYSA-N 1 0 348.491 2.464 50 0 EEAARO CC(C)[C@H]1C[N@H+](CCc2ccccn2)C[C@@H]1NC(=O)C1CCOCC1 ZINC000091651477 218040848 /nfs/dbraw/zinc/04/08/48/218040848.db2.gz OFJPDOKJTGDJSX-MOPGFXCFSA-N 1 0 345.487 2.123 50 0 EEAARO CN(C)[C@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000095378871 218311299 /nfs/dbraw/zinc/31/12/99/218311299.db2.gz 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/nfs/dbraw/zinc/61/44/23/533614423.db2.gz JBMATJZBLUKZRM-OAHLLOKOSA-N 1 0 329.444 2.219 50 0 EEAARO CCc1noc(C)c1NC(=O)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000120856251 292258536 /nfs/dbraw/zinc/25/85/36/292258536.db2.gz OZRSKOLXXPNYIJ-MRXNPFEDSA-N 1 0 329.400 2.385 50 0 EEAARO CN1CCN(c2c3ccccc3oc(=O)c2C[NH+]2CCCC2)CC1 ZINC000000272748 273899289 /nfs/dbraw/zinc/89/92/89/273899289.db2.gz IMARFWWELBVBMB-UHFFFAOYSA-N 1 0 327.428 2.141 50 0 EEAARO CC(C)(C)c1cc2nc(C(F)(F)F)cc(N3CC[NH2+]CC3)n2n1 ZINC000000170720 275534882 /nfs/dbraw/zinc/53/48/82/275534882.db2.gz GOIBENJQABAIQK-UHFFFAOYSA-N 1 0 327.354 2.455 50 0 EEAARO CCOC(=O)C1=C(O)NC(N2CCCCC2)=[NH+][C@H]1c1ccc(C)cc1 ZINC000009225293 276285777 /nfs/dbraw/zinc/28/57/77/276285777.db2.gz GLUWBOVYIVTGTK-HOTGVXAUSA-N 1 0 343.427 2.187 50 0 EEAARO C[NH+]1CCC2(CC1)OCCN2C(=O)c1ccc(Br)cc1 ZINC000013692557 277036415 /nfs/dbraw/zinc/03/64/15/277036415.db2.gz GDPBNPVEKBAVFI-UHFFFAOYSA-N 1 0 339.233 2.343 50 0 EEAARO CC/C=C(\C)C[N@@H+]1CC[C@H](CNS(=O)(=O)N2CCCCCC2)C1 ZINC000067805598 278164022 /nfs/dbraw/zinc/16/40/22/278164022.db2.gz JXLRWASJJPZTGI-QLGNDSFESA-N 1 0 343.537 2.375 50 0 EEAARO [NH3+][C@H]1CN(S(=O)(=O)c2ccccc2C(F)(F)F)C[C@@H]1C1CC1 ZINC000091643763 303490273 /nfs/dbraw/zinc/49/02/73/303490273.db2.gz YPEYYZKSCDOWMT-PWSUYJOCSA-N 1 0 334.363 2.063 50 0 EEAARO CCn1c[n+](C[C@@H](O)COc2ccccc2OC)c2ccccc21 ZINC000000089073 462541686 /nfs/dbraw/zinc/54/16/86/462541686.db2.gz WBURJNXHZZBLKC-OAHLLOKOSA-N 1 0 327.404 2.397 50 0 EEAARO Ic1ccc(OCC[NH2+]C[C@@H]2CCCO2)cc1 ZINC000003247085 462613476 /nfs/dbraw/zinc/61/34/76/462613476.db2.gz OOSNYQPVRNTRGQ-ZDUSSCGKSA-N 1 0 347.196 2.439 50 0 EEAARO CCCC(=O)Nc1cc(C(=O)OC)ccc1N1CC[NH+](CC)CC1 ZINC000004711672 462636406 /nfs/dbraw/zinc/63/64/06/462636406.db2.gz OTFNSHBFBIYXIN-UHFFFAOYSA-N 1 0 333.432 2.354 50 0 EEAARO Cc1cc(C)n(C[C@@H](C)n2cnc3sc4c(c3c2=O)CC[NH2+]C4)n1 ZINC000065406865 462766911 /nfs/dbraw/zinc/76/69/11/462766911.db2.gz KBYGINPEHDYCKI-GFCCVEGCSA-N 1 0 343.456 2.178 50 0 EEAARO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+]2[C@@H]3CC[C@H]2CNC(=O)C3)n1 ZINC000065428192 462770140 /nfs/dbraw/zinc/77/01/40/462770140.db2.gz NXPXZAFIXHVFKC-SJORKVTESA-N 1 0 342.418 2.481 50 0 EEAARO C[NH+](C)C[C@@H]1CSCCCN1S(=O)(=O)Cc1cccc(F)c1 ZINC000090608983 462802495 /nfs/dbraw/zinc/80/24/95/462802495.db2.gz GSRNFTBGMRYVKF-OAHLLOKOSA-N 1 0 346.493 2.025 50 0 EEAARO O=C1N(CC2CCC2)CCC[C@]1(O)C[NH2+]C1(c2ccccc2)CC1 ZINC000012706661 462863431 /nfs/dbraw/zinc/86/34/31/462863431.db2.gz AXKVIHDFTGPRIX-FQEVSTJZSA-N 1 0 328.456 2.419 50 0 EEAARO Cc1ccccc1OCC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014183311 462917390 /nfs/dbraw/zinc/91/73/90/462917390.db2.gz HDAGHAJNMHQAJE-UHFFFAOYSA-N 1 0 340.427 2.159 50 0 EEAARO Cc1ccc(C(=O)NCC(=O)NC[C@H](c2ccccc2)[NH+](C)C)s1 ZINC000014247747 462922235 /nfs/dbraw/zinc/92/22/35/462922235.db2.gz OUXNJNALWDABFV-OAHLLOKOSA-N 1 0 345.468 2.205 50 0 EEAARO O=c1c2c(nc3cc([C@H]4CCC[NH2+]4)[n-]n31)CC[N@@H+](Cc1ccccc1)C2 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EEAARO CCc1ccccc1C[N@@H+]1CC[C@@H](NC(=O)c2cccnc2)[C@H](O)C1 ZINC000077486517 462993407 /nfs/dbraw/zinc/99/34/07/462993407.db2.gz WVLQOFCPHWYROU-RTBURBONSA-N 1 0 339.439 2.009 50 0 EEAARO Cc1noc2ncnc(N3CCC([N@H+]4C[C@@H](C)O[C@@H](C)C4)CC3)c12 ZINC000077489453 462994800 /nfs/dbraw/zinc/99/48/00/462994800.db2.gz ZIZMJLVJDWKQAJ-TXEJJXNPSA-N 1 0 331.420 2.004 50 0 EEAARO O=C1[C@H]2CCc3[nH]c4ccccc4c3[C@H]2C(=O)N1CC[NH+]1CCCC1 ZINC000017992889 463004227 /nfs/dbraw/zinc/00/42/27/463004227.db2.gz UZDRFKGYUDOWCX-KSSFIOAISA-N 1 0 337.423 2.279 50 0 EEAARO Cn1nc(C(=O)NC[C@@H]2CC[N@H+](Cc3ccncc3)C2)c2ccccc21 ZINC000067641205 463031039 /nfs/dbraw/zinc/03/10/39/463031039.db2.gz OKCMVLREVBBXTL-INIZCTEOSA-N 1 0 349.438 2.220 50 0 EEAARO COc1cc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)cc(OC)c1 ZINC000030900389 463317464 /nfs/dbraw/zinc/31/74/64/463317464.db2.gz FWEFECUARBILSD-UHFFFAOYSA-N 1 0 343.427 2.225 50 0 EEAARO CC1CC[NH+](Cc2ccc(CNC(=O)CCn3cncn3)cc2)CC1 ZINC000031201962 463328293 /nfs/dbraw/zinc/32/82/93/463328293.db2.gz ZRQZGJORCMBFSE-UHFFFAOYSA-N 1 0 341.459 2.217 50 0 EEAARO Cn1ccc(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)cc1=O ZINC000032762892 463392568 /nfs/dbraw/zinc/39/25/68/463392568.db2.gz HRYHCFWHEMDDJN-CQSZACIVSA-N 1 0 331.441 2.014 50 0 EEAARO O=c1[nH]nc(C2CC[NH+](Cc3cccnc3)CC2)n1Cc1ccccc1 ZINC000071712198 463419145 /nfs/dbraw/zinc/41/91/45/463419145.db2.gz YSUNRQMLYYEHSY-UHFFFAOYSA-N 1 0 349.438 2.394 50 0 EEAARO COc1cccc(N2CC[NH+](C[C@H](O)COc3ccccc3)CC2)c1 ZINC000033854700 463425704 /nfs/dbraw/zinc/42/57/04/463425704.db2.gz GAEVZJMONMLEOR-SFHVURJKSA-N 1 0 342.439 2.257 50 0 EEAARO Cc1cc(NC(=O)NCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)no1 ZINC000106050723 463504103 /nfs/dbraw/zinc/50/41/03/463504103.db2.gz SLMGHOQAHTWNPW-INIZCTEOSA-N 1 0 343.431 2.093 50 0 EEAARO CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)NC(=O)c2cccs2)C1 ZINC000106161330 463507198 /nfs/dbraw/zinc/50/71/98/463507198.db2.gz LUKUVNQVXKRAHO-UONOGXRCSA-N 1 0 337.489 2.103 50 0 EEAARO Cc1nccn1CCC(=O)N1CCCN(c2cc[nH+]cc2C)CC1 ZINC000082092899 463513374 /nfs/dbraw/zinc/51/33/74/463513374.db2.gz UJUGBLCOEVTWEN-UHFFFAOYSA-N 1 0 327.432 2.024 50 0 EEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(-n2cccc2)cc1 ZINC000106517083 463520381 /nfs/dbraw/zinc/52/03/81/463520381.db2.gz WACMJBYLGJNBBD-ROUUACIJSA-N 1 0 325.412 2.070 50 0 EEAARO CN(C)C(=O)[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000106585257 463527990 /nfs/dbraw/zinc/52/79/90/463527990.db2.gz NQPZDGDJSOBHTE-GJZGRUSLSA-N 1 0 339.480 2.186 50 0 EEAARO COc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)cc2c1OCCO2 ZINC000106779037 463534885 /nfs/dbraw/zinc/53/48/85/463534885.db2.gz HRLNOKMLZIROPP-HUUCEWRRSA-N 1 0 346.427 2.165 50 0 EEAARO NC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)c1ccc(Br)cc1 ZINC000106769525 463535436 /nfs/dbraw/zinc/53/54/36/463535436.db2.gz OBJXDKONPZGXRA-KBPBESRZSA-N 1 0 341.249 2.212 50 0 EEAARO Cc1nn(C)c(Cl)c1[C@H]1CCCN1[C@H](C)C(=O)Nc1ncccn1 ZINC000106908240 463548895 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CC(=O)c1c(-c2cccc(C(=O)N(C)[C@H]3CC[N@H+](C)C3)c2)cnn1C ZINC000584886279 468955316 /nfs/dbraw/zinc/95/53/16/468955316.db2.gz WDIUPPPVQDYHQV-INIZCTEOSA-N 1 0 340.427 2.066 50 0 EEAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)C1 ZINC000584888284 468956623 /nfs/dbraw/zinc/95/66/23/468956623.db2.gz LNQRADKOFYWYRQ-KRWDZBQOSA-N 1 0 328.416 2.252 50 0 EEAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCc2nc(-c3ccccc3)cs2)C1 ZINC000584897721 468959027 /nfs/dbraw/zinc/95/90/27/468959027.db2.gz NYWWECFQUKLGNW-OAHLLOKOSA-N 1 0 344.484 2.062 50 0 EEAARO Cc1ccc2nc(C[N@H+](C)C[C@@H]3Cc4ccccc4O3)cc(=O)n2c1 ZINC000670444689 485643976 /nfs/dbraw/zinc/64/39/76/485643976.db2.gz ACQWTVDORGPMLE-KRWDZBQOSA-N 1 0 335.407 2.438 50 0 EEAARO Cc1ncn(CCNC(=O)N(CC[NH+](C)C)Cc2ccsc2)c1C ZINC000670461856 485653301 /nfs/dbraw/zinc/65/33/01/485653301.db2.gz WBABKZUATIMWFX-UHFFFAOYSA-N 1 0 349.504 2.335 50 0 EEAARO CCc1ccccc1OCCN(C)C(=O)N[C@@H]1C[NH+]2CCC1CC2 ZINC000426649446 535970178 /nfs/dbraw/zinc/97/01/78/535970178.db2.gz 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CCOC(=O)c1c2cc(O)c(Br)cc2n(C)c1C[NH3+] ZINC000230535978 242262960 /nfs/dbraw/zinc/26/29/60/242262960.db2.gz FMMQXLSVJOTCGT-UHFFFAOYSA-N 1 0 327.178 2.282 50 0 EEAARO C[N@H+](CCC(=O)NCc1cccs1)Cc1ccc2nonc2c1 ZINC000244778647 243077924 /nfs/dbraw/zinc/07/79/24/243077924.db2.gz PUGIANLDSQQLGU-UHFFFAOYSA-N 1 0 330.413 2.423 50 0 EEAARO COc1cccc(NC(=O)N2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000020532032 212144405 /nfs/dbraw/zinc/14/44/05/212144405.db2.gz LLJFYEFXQGVLTG-UHFFFAOYSA-N 1 0 333.432 2.271 50 0 EEAARO CCOc1c(C[NH2+]CCN2CCOCC2)cc(Cl)cc1OC ZINC000020477781 212136100 /nfs/dbraw/zinc/13/61/00/212136100.db2.gz YTCPAPUGEUBIEC-UHFFFAOYSA-N 1 0 328.840 2.169 50 0 EEAARO CCOC(=O)c1coc(N2CCCN(c3cc[nH+]c(C)c3)CC2)n1 ZINC000077406934 216895735 /nfs/dbraw/zinc/89/57/35/216895735.db2.gz UHRNVDZMFRTPEM-UHFFFAOYSA-N 1 0 330.388 2.271 50 0 EEAARO C[C@H](CN1CC[NH+](C)CC1)OC(=O)c1ccc(Br)cc1 ZINC000019360934 212021722 /nfs/dbraw/zinc/02/17/22/212021722.db2.gz JCMDEBQRGWWTRO-GFCCVEGCSA-N 1 0 341.249 2.242 50 0 EEAARO Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(Cc3ccccc3F)C2=O)o1 ZINC000012458400 211389197 /nfs/dbraw/zinc/38/91/97/211389197.db2.gz MZLSXSIXSKTIGT-IBGZPJMESA-N 1 0 346.402 2.370 50 0 EEAARO COCCc1nc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2o1 ZINC000012373263 211358807 /nfs/dbraw/zinc/35/88/07/211358807.db2.gz BXYAMGYGQYRYPU-UHFFFAOYSA-N 1 0 331.416 2.232 50 0 EEAARO Cn1ccc(CC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)c1 ZINC000012024064 211281094 /nfs/dbraw/zinc/28/10/94/211281094.db2.gz XJPIJJGCUBWIHE-LJQANCHMSA-N 1 0 325.456 2.391 50 0 EEAARO O=C1OCC2(CC[NH+](Cc3cc(=O)c4cc(F)ccc4[nH]3)CC2)O1 ZINC000091460903 218009867 /nfs/dbraw/zinc/00/98/67/218009867.db2.gz YTSWOOFUQHSJEG-UHFFFAOYSA-N 1 0 332.331 2.169 50 0 EEAARO Cc1[nH+]c(N2CCCC2)nc(N2CCC3(CC2)OCCC[C@@H]3O)c1C ZINC000091535560 218019349 /nfs/dbraw/zinc/01/93/49/218019349.db2.gz MYQSRSMOOKEQHV-INIZCTEOSA-N 1 0 346.475 2.204 50 0 EEAARO Cc1ccc2[nH]c(CCC(=O)N3C[C@H]([NH3+])[C@@H](C4CC4)C3)nc2c1C ZINC000091574114 218023004 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CCc1ccccc1NC(=O)N1CC[N@H+](C)[C@]2(C1)CCNC(=O)CC2 ZINC000092078475 218116681 /nfs/dbraw/zinc/11/66/81/218116681.db2.gz OJRHZUBZIVCEPP-IBGZPJMESA-N 1 0 344.459 2.067 50 0 EEAARO CCn1c(SCC[NH2+]CCO)nnc1-c1ccc(Cl)cc1 ZINC000009579361 211103544 /nfs/dbraw/zinc/10/35/44/211103544.db2.gz SLMBSLLKOIADHH-UHFFFAOYSA-N 1 0 326.853 2.292 50 0 EEAARO CN1CC[C@@]2(CN(c3nccc4ccccc43)CC[N@@H+]2C)CCC1=O ZINC000095356172 218289225 /nfs/dbraw/zinc/28/92/25/218289225.db2.gz KSWSQWVLYNOEBZ-HXUWFJFHSA-N 1 0 338.455 2.368 50 0 EEAARO Cc1nccn1CCN(C)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095367566 218300571 /nfs/dbraw/zinc/30/05/71/218300571.db2.gz NCDPVIGIAWFBAJ-GOSISDBHSA-N 1 0 326.444 2.431 50 0 EEAARO CCOC(=O)N1CCN(C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095385231 218316917 /nfs/dbraw/zinc/31/69/17/218316917.db2.gz GMIPEZNGONFNHO-QGZVFWFLSA-N 1 0 345.443 2.068 50 0 EEAARO COCCC[N@@H+](Cc1cccn1C)C[C@@H](O)COc1ccccc1 ZINC000004924326 210325610 /nfs/dbraw/zinc/32/56/10/210325610.db2.gz ICCKMJMJOGMJNP-GOSISDBHSA-N 1 0 332.444 2.304 50 0 EEAARO COc1ccccc1-n1cc(C[NH+]2CCC3(COC(=O)O3)CC2)cn1 ZINC000097475430 219027968 /nfs/dbraw/zinc/02/79/68/219027968.db2.gz VNOKUEUJQJABPE-UHFFFAOYSA-N 1 0 343.383 2.382 50 0 EEAARO CSCC[NH+]1CCC(NC(=O)c2cccc3nccnc32)CC1 ZINC000097475516 219028206 /nfs/dbraw/zinc/02/82/06/219028206.db2.gz WHZXKJVPYWFLCH-UHFFFAOYSA-N 1 0 330.457 2.187 50 0 EEAARO Cc1ccc(NC(=O)N2CC[C@@H](C[NH+]3CCCCC3)C2)cc1C(N)=O ZINC000120070736 221474481 /nfs/dbraw/zinc/47/44/81/221474481.db2.gz BIAABPUWZSQAGO-HNNXBMFYSA-N 1 0 344.459 2.434 50 0 EEAARO Cc1cc(N2CCn3nc(CNC(=O)C4CCC4)cc3C2)cc(C)[nH+]1 ZINC000299771629 258084116 /nfs/dbraw/zinc/08/41/16/258084116.db2.gz RPSJLCKDCZFUFP-UHFFFAOYSA-N 1 0 339.443 2.331 50 0 EEAARO Cc1ccc(C(=O)N2CCC([NH+]3CCC(O)CC3)CC2)n1C(F)F ZINC000299781540 258089893 /nfs/dbraw/zinc/08/98/93/258089893.db2.gz RJFIOTJGZUVCCV-UHFFFAOYSA-N 1 0 341.402 2.253 50 0 EEAARO Cc1cc(N2CCn3nc(CNC(=O)C4CCCC4)cc3C2)cc[nH+]1 ZINC000299791848 258097431 /nfs/dbraw/zinc/09/74/31/258097431.db2.gz CNNCKHXTTDJOMO-UHFFFAOYSA-N 1 0 339.443 2.413 50 0 EEAARO [NH3+]CCCOc1ccc(C(=O)NC[C@H]2CCCOC2)cc1Cl ZINC000299796220 258100362 /nfs/dbraw/zinc/10/03/62/258100362.db2.gz OCUVUOHBGJGLAH-GFCCVEGCSA-N 1 0 326.824 2.224 50 0 EEAARO CCN1C[C@@]2(CCC[N@H+](Cc3[nH]cc(C)c(=O)c3C)C2)CCC1=O ZINC000072428132 276244027 /nfs/dbraw/zinc/24/40/27/276244027.db2.gz TUBIKUFIVWLLNE-IBGZPJMESA-N 1 0 331.460 2.216 50 0 EEAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)c1cc2ccccc2oc1=O ZINC000090699997 289218562 /nfs/dbraw/zinc/21/85/62/289218562.db2.gz YPJKDPVHUKKYEG-AWEZNQCLSA-N 1 0 346.452 2.302 50 0 EEAARO CNC(=O)NC(=O)[C@@H]([NH2+][C@@H](C)CCc1ccco1)c1ccccc1 ZINC000023673524 290493632 /nfs/dbraw/zinc/49/36/32/290493632.db2.gz BCYGCMXVMPWQLN-BBRMVZONSA-N 1 0 329.400 2.387 50 0 EEAARO [NH3+][C@@H](C(=O)N1CCC2(CCC(=O)N(C3CC3)C2)CC1)C1CCCCC1 ZINC000092081084 295291580 /nfs/dbraw/zinc/29/15/80/295291580.db2.gz JKBOMWGLDJZGEC-GOSISDBHSA-N 1 0 347.503 2.288 50 0 EEAARO COc1cncc([C@@H]([NH2+]C2CSCCSC2)[C@H]2C[C@@H](O)C2)c1 ZINC000223074811 295439454 /nfs/dbraw/zinc/43/94/54/295439454.db2.gz KDCOTTOWSUEUBX-PJODQICGSA-N 1 0 340.514 2.340 50 0 EEAARO CN(C)S(=O)(=O)CCC[N@@H+]1CCCC[C@H]1CCc1ccccn1 ZINC000252488417 464964869 /nfs/dbraw/zinc/96/48/69/464964869.db2.gz IRMPVMCBATZYOH-KRWDZBQOSA-N 1 0 339.505 2.150 50 0 EEAARO Cc1ccc(Cl)cc1N1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000003354986 462617175 /nfs/dbraw/zinc/61/71/75/462617175.db2.gz LZKYADGKJIINDL-UHFFFAOYSA-N 1 0 340.924 2.207 50 0 EEAARO c1nc(NCCc2n[nH]c3c2CCCC3)cc([C@H]2CCC[NH2+]C2)n1 ZINC000045971728 462635016 /nfs/dbraw/zinc/63/50/16/462635016.db2.gz FJZJQFAMNJWHAV-ZDUSSCGKSA-N 1 0 326.448 2.200 50 0 EEAARO CCOC(=O)c1cnc2cc(F)c(F)cc2c1N1CC[NH+](C)CC1 ZINC000004718111 462636799 /nfs/dbraw/zinc/63/67/99/462636799.db2.gz GBIFHYUCWCYBLY-UHFFFAOYSA-N 1 0 335.354 2.442 50 0 EEAARO COC(=O)c1ccc(N2CC[NH+](C)CC2)c(NC(=O)C(C)(C)C)c1 ZINC000004749448 462637201 /nfs/dbraw/zinc/63/72/01/462637201.db2.gz FMEDYFLWNFVYKU-UHFFFAOYSA-N 1 0 333.432 2.210 50 0 EEAARO Cc1ccccc1NC(=O)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1 ZINC000006810101 462706498 /nfs/dbraw/zinc/70/64/98/462706498.db2.gz QAPIRZYMOXSEAF-UHFFFAOYSA-N 1 0 344.459 2.333 50 0 EEAARO Cc1ccccc1[C@H](OC[C@@H](O)C[NH2+]C[C@@H](C)O)c1ccccc1 ZINC000007015457 462716065 /nfs/dbraw/zinc/71/60/65/462716065.db2.gz WDURMMFCLONLHL-IMFGXOCKSA-N 1 0 329.440 2.432 50 0 EEAARO CCOc1ccc(S(=O)(=O)NCCC[NH+]2CCC(C)CC2)cc1 ZINC000007728756 462748915 /nfs/dbraw/zinc/74/89/15/462748915.db2.gz FVZUGPQKDOXQKJ-UHFFFAOYSA-N 1 0 340.489 2.486 50 0 EEAARO c1cn(CCOc2ccc(CN3[C@@H]4CC[C@H]3C[NH2+]CC4)cc2)cn1 ZINC000065382325 462761396 /nfs/dbraw/zinc/76/13/96/462761396.db2.gz JGRVUYUNAGJEGF-MSOLQXFVSA-N 1 0 326.444 2.288 50 0 EEAARO Cn1cc(NC(=O)c2ccc(C[N@H+](C)C[C@@H]3CCCO3)cc2)cn1 ZINC000065417528 462767772 /nfs/dbraw/zinc/76/77/72/462767772.db2.gz OCRMOJHPZZQYOX-KRWDZBQOSA-N 1 0 328.416 2.283 50 0 EEAARO C[NH+]1CCN(c2ncnc3c2cnn3-c2cccc(Cl)c2)CC1 ZINC000008673914 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COc1cccc(C(=O)N2CC[NH+]([C@@H]3CCCC[C@@H]3OC)CC2)c1 ZINC000015722433 462960651 /nfs/dbraw/zinc/96/06/51/462960651.db2.gz DQTCTJOIWIJMOV-MSOLQXFVSA-N 1 0 332.444 2.411 50 0 EEAARO O=C([C@@H]1CCC[NH2+]C1)N1C[C@H](CCN2CCCC2=O)c2ccccc21 ZINC000120456017 463000779 /nfs/dbraw/zinc/00/07/79/463000779.db2.gz BEZVHXSXRGJXGF-CVEARBPZSA-N 1 0 341.455 2.129 50 0 EEAARO COc1cc(Cl)c(S(=O)(=O)NCCC[NH+](C)C)cc1Cl ZINC000018005015 463004652 /nfs/dbraw/zinc/00/46/52/463004652.db2.gz VXSLOSZODDDUBE-UHFFFAOYSA-N 1 0 341.260 2.232 50 0 EEAARO COC(=O)c1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)ncn1 ZINC000077556253 463005040 /nfs/dbraw/zinc/00/50/40/463005040.db2.gz GHQUIWUKIDRISA-UHFFFAOYSA-N 1 0 344.390 2.115 50 0 EEAARO Cc1cccc2sc(NC(=O)CSc3nc(N)cc(N)[nH+]3)nc21 ZINC000019926880 463022850 /nfs/dbraw/zinc/02/28/50/463022850.db2.gz FVDKGSIBMGFNKU-UHFFFAOYSA-N 1 0 346.441 2.290 50 0 EEAARO NC(=O)c1csc(C[NH+]2CCC(c3nnc4ccccn43)CC2)c1 ZINC000120929236 463055742 /nfs/dbraw/zinc/05/57/42/463055742.db2.gz 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ZINC000033359547 463420280 /nfs/dbraw/zinc/42/02/80/463420280.db2.gz FDNFSVHAJYWJOM-OAHLLOKOSA-N 1 0 343.471 2.256 50 0 EEAARO Cc1nc(N2CCN(C(=O)C(C)(C)C)CC2)cc(N2CCCC2)[nH+]1 ZINC000033318252 463421237 /nfs/dbraw/zinc/42/12/37/463421237.db2.gz XSUSSPVMUIEFKR-UHFFFAOYSA-N 1 0 331.464 2.080 50 0 EEAARO Cc1ccc(N2CCC([N@H+]3C[C@@H]4C[C@@H](O)[C@@H](O)C[C@@H]4C3)CC2)cc1 ZINC000071763022 463423008 /nfs/dbraw/zinc/42/30/08/463423008.db2.gz DMRWYMORVLZEHR-OBMJPTGESA-N 1 0 330.472 2.027 50 0 EEAARO Cc1cccc(C)c1NC(=O)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000036404245 463437739 /nfs/dbraw/zinc/43/77/39/463437739.db2.gz MGGAEPAGQRQQEJ-CZUORRHYSA-N 1 0 331.460 2.479 50 0 EEAARO O=C([C@@H]1COCCO1)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000071853501 463441089 /nfs/dbraw/zinc/44/10/89/463441089.db2.gz NJZSCNBBLRSJMH-QYZOEREBSA-N 1 0 344.455 2.057 50 0 EEAARO COc1ccc(CN2CCN(Cc3ccon3)C[C@H]2CCO)cc1C ZINC000105626247 463457194 /nfs/dbraw/zinc/45/71/94/463457194.db2.gz NRBZUMBLPJBQAP-GOSISDBHSA-N 1 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O=c1cc2c(nn1CC1CC[NH+](C[C@@H]3CCCOC3)CC1)CCCC2 ZINC000585500955 792896524 /nfs/dbraw/zinc/89/65/24/792896524.db2.gz SXMDYQDIMKWRQJ-KRWDZBQOSA-N 1 0 345.487 2.261 50 0 EEAARO Cc1ccc(NC(=O)CN(C)C)c(NC(=O)c2cccc(C[NH3+])c2)c1 ZINC000952965032 796085004 /nfs/dbraw/zinc/08/50/04/796085004.db2.gz PRDZEVBJPRGHEK-UHFFFAOYSA-N 1 0 340.427 2.206 50 0 EEAARO Cc1ccsc1[C@H](CNC(=O)CCCN1CCCC1=O)[NH+](C)C ZINC000952966031 796086839 /nfs/dbraw/zinc/08/68/39/796086839.db2.gz TVFUGACDKAFTDA-AWEZNQCLSA-N 1 0 337.489 2.178 50 0 EEAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1ccccn1 ZINC000011667781 797736904 /nfs/dbraw/zinc/73/69/04/797736904.db2.gz UMBMEKMTLVDFQK-IBGZPJMESA-N 1 0 331.460 2.105 50 0 EEAARO Cc1nc(N)sc1CC(=O)N[C@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000821793965 798632115 /nfs/dbraw/zinc/63/21/15/798632115.db2.gz WQWXNQWLFVWDDJ-GFCCVEGCSA-N 1 0 344.484 2.139 50 0 EEAARO Cc1cc(C)n([C@H]2CCN(c3nc(CC[NH3+])nc4ccccc43)C2)n1 ZINC000065386177 802786595 /nfs/dbraw/zinc/78/65/95/802786595.db2.gz GKXBWNWPQQDKFL-HNNXBMFYSA-N 1 0 336.443 2.396 50 0 EEAARO O=C(C[NH+]1CCCCCC1)N1CCc2[nH]cnc2[C@H]1c1cccnc1 ZINC001506416400 1114600836 /nfs/dbraw/zinc/60/08/36/1114600836.db2.gz FTCYWYPVAKIISY-LJQANCHMSA-N 1 0 339.443 2.155 50 0 EEAARO CCOc1cc(C)c(Cl)cc1S(=O)(=O)NC1CC[NH2+]CC1 ZINC001506422277 1114602145 /nfs/dbraw/zinc/60/21/45/1114602145.db2.gz NJNRHIYJGPYIKG-UHFFFAOYSA-N 1 0 332.853 2.077 50 0 EEAARO CN1C[C@@H]2C[C@H]([N@H+](C)Cc3cc(-c4cccnc4)no3)C[C@@H]2CC1=O ZINC001529189297 1121362807 /nfs/dbraw/zinc/36/28/07/1121362807.db2.gz KTISWIIHJOPODB-OWCLPIDISA-N 1 0 340.427 2.425 50 0 EEAARO Cc1c(C(=O)NCC[NH+]2CCCC2)nnn1-c1ccc(Cl)cc1 ZINC000051318186 214088819 /nfs/dbraw/zinc/08/88/19/214088819.db2.gz UUOYLOGKBBDYBD-UHFFFAOYSA-N 1 0 333.823 2.055 50 0 EEAARO Cc1c(C(=O)NCC[NH+]2CCCCC2)nnn1-c1ccc(Cl)cc1 ZINC000051318187 214088839 /nfs/dbraw/zinc/08/88/39/214088839.db2.gz RYZCTAROMMKYLF-UHFFFAOYSA-N 1 0 347.850 2.445 50 0 EEAARO Cc1ccnc(C[C@H](C)[N@H+](C)Cc2ccccc2OCC(N)=O)c1 ZINC000055244069 214293276 /nfs/dbraw/zinc/29/32/76/214293276.db2.gz GUESEESREMZFPZ-HNNXBMFYSA-N 1 0 327.428 2.317 50 0 EEAARO O=C(CC[NH+]1CCCCCCC1)N[C@H](CO)COCc1ccccc1 ZINC000055344284 214310601 /nfs/dbraw/zinc/31/06/01/214310601.db2.gz NVIUOZARZTZQPG-LJQANCHMSA-N 1 0 348.487 2.337 50 0 EEAARO Cn1nc(C(F)(F)F)c2cc(C(=O)NC[C@@H]3CC[N@H+](C)C3)sc21 ZINC000067513484 215156084 /nfs/dbraw/zinc/15/60/84/215156084.db2.gz UUFACCCQTXARIB-QMMMGPOBSA-N 1 0 346.378 2.335 50 0 EEAARO Cc1nc([C@@H]2CCC[NH2+]C2)cc(N(C)CCCc2cnn(C)c2)n1 ZINC000067713329 215191070 /nfs/dbraw/zinc/19/10/70/215191070.db2.gz AVQREFSMPZGPBX-MRXNPFEDSA-N 1 0 328.464 2.055 50 0 EEAARO O=S(=O)(NC[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1)C1CC1 ZINC000067803325 215215270 /nfs/dbraw/zinc/21/52/70/215215270.db2.gz IFFKIBKIFRIEFM-CQSZACIVSA-N 1 0 345.468 2.139 50 0 EEAARO CC[C@H]1CN(Cc2ccccc2OCC(=O)N(C)C)CC[N@@H+]1C(C)C ZINC000072125493 216016294 /nfs/dbraw/zinc/01/62/94/216016294.db2.gz WALPAHOEJJRQOP-SFHVURJKSA-N 1 0 347.503 2.458 50 0 EEAARO O=C(NCCc1cnc2ccccn12)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072140384 216027886 /nfs/dbraw/zinc/02/78/86/216027886.db2.gz XKBHXXOUIXHUTA-HNNXBMFYSA-N 1 0 334.423 2.384 50 0 EEAARO CN(Cc1cc2n(n1)CCC[NH2+]C2)Cc1cc(-c2ccccc2)n[nH]1 ZINC000072152041 216040574 /nfs/dbraw/zinc/04/05/74/216040574.db2.gz NWFXZOZDHHJLFP-UHFFFAOYSA-N 1 0 336.443 2.399 50 0 EEAARO Cc1cn2c(n1)CC[C@H](NC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)C2 ZINC000072279195 216106059 /nfs/dbraw/zinc/10/60/59/216106059.db2.gz ZCGYLBHHARZHRQ-ZWKOTPCHSA-N 1 0 338.455 2.287 50 0 EEAARO O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000107136884 296013780 /nfs/dbraw/zinc/01/37/80/296013780.db2.gz DHCNJJOJCJRQRS-LXTVHRRPSA-N 1 0 348.409 2.413 50 0 EEAARO c1cn(CCSc2ccccn2)c(-c2cc3n(n2)CC[NH2+]C3)n1 ZINC000072432973 216227181 /nfs/dbraw/zinc/22/71/81/216227181.db2.gz LXGRTRZQMVGROJ-UHFFFAOYSA-N 1 0 326.429 2.037 50 0 EEAARO c1cn(-c2ccc3c(c2)OCCO3)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072480389 216260552 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Cc1nc(C2CC[NH+](Cc3cnc(N4CCOCC4)s3)CC2)no1 ZINC000097758015 219054743 /nfs/dbraw/zinc/05/47/43/219054743.db2.gz JDJHLRNQQLTVCS-UHFFFAOYSA-N 1 0 349.460 2.051 50 0 EEAARO Cc1nsc(NC(=O)NC2CC[NH+](Cc3ccncc3)CC2)n1 ZINC000055393332 214317100 /nfs/dbraw/zinc/31/71/00/214317100.db2.gz DSSBAZMDCUNABP-UHFFFAOYSA-N 1 0 332.433 2.028 50 0 EEAARO CSc1ccccc1NC(=O)CCC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000055413206 214321081 /nfs/dbraw/zinc/32/10/81/214321081.db2.gz KIILKYQTCWASDA-CYBMUJFWSA-N 1 0 335.473 2.195 50 0 EEAARO Cc1ncccc1OC1(C(=O)N2C[C@@H]3CC=CC[C@@H]3C2)CC[NH2+]CC1 ZINC000065421009 214904073 /nfs/dbraw/zinc/90/40/73/214904073.db2.gz ZSQVKMMDSLWPSN-CALCHBBNSA-N 1 0 341.455 2.316 50 0 EEAARO C[NH+](C)CCNC(=O)c1coc(COc2cccc3cnccc32)n1 ZINC000067605393 215167724 /nfs/dbraw/zinc/16/77/24/215167724.db2.gz BJAWQFQERORAAD-UHFFFAOYSA-N 1 0 340.383 2.093 50 0 EEAARO CCn1ccnc1C[N@@H+]1CCCC2(CCN(C(=O)COC)CC2)CC1 ZINC000067673285 215176837 /nfs/dbraw/zinc/17/68/37/215176837.db2.gz 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Cc1cc(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)nc(N2CCCC2)n1 ZINC000072241140 216079430 /nfs/dbraw/zinc/07/94/30/216079430.db2.gz UEBXLZMTPIIVQY-UHFFFAOYSA-N 1 0 345.491 2.424 50 0 EEAARO CC(C)([NH3+])CN1CCC2(CN(CCOc3ccccc3)C(=O)O2)CC1 ZINC000072419460 216208159 /nfs/dbraw/zinc/20/81/59/216208159.db2.gz HSVMQFSAGDXVNM-UHFFFAOYSA-N 1 0 347.459 2.090 50 0 EEAARO CCn1c(CCNc2ncnc3c2CC[NH2+]CC3)nc2ccccc21 ZINC000072469452 216248620 /nfs/dbraw/zinc/24/86/20/216248620.db2.gz JGGLOQBJUPVAOE-UHFFFAOYSA-N 1 0 336.443 2.189 50 0 EEAARO COc1ccc(NC(=O)NC[C@@H](C(C)C)[NH+]2CCN(C)CC2)cc1 ZINC000022933327 212336480 /nfs/dbraw/zinc/33/64/80/212336480.db2.gz BXVHHXXMKAVGTJ-KRWDZBQOSA-N 1 0 334.464 2.089 50 0 EEAARO CC[NH+]1CCN(C[C@@H](O)COc2ccc(Cl)cc2Cl)CC1 ZINC000022465755 212299910 /nfs/dbraw/zinc/29/99/10/212299910.db2.gz TXGZUSVEZWVZKR-CYBMUJFWSA-N 1 0 333.259 2.371 50 0 EEAARO Cc1n[nH]c(C)c1CCC[N@@H+](C)CCn1c2ccccc2oc1=O ZINC000216281724 241181403 /nfs/dbraw/zinc/18/14/03/241181403.db2.gz 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ZINC000021057242 212204184 /nfs/dbraw/zinc/20/41/84/212204184.db2.gz VJPAFCXJQLGJTQ-GASCZTMLSA-N 1 0 334.460 2.242 50 0 EEAARO c1c[nH]c(-c2cccc(C[NH+]3CCC(N4CCOCC4)CC3)c2)n1 ZINC000020920615 212188323 /nfs/dbraw/zinc/18/83/23/212188323.db2.gz URBMQMMTLQNQEH-UHFFFAOYSA-N 1 0 326.444 2.373 50 0 EEAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCC(CSC)CC2)n1 ZINC000243892977 243029967 /nfs/dbraw/zinc/02/99/67/243029967.db2.gz AMZGUNZQPNLFES-HDJSIYSDSA-N 1 0 336.505 2.407 50 0 EEAARO Cc1csc(CCCNC(=O)CC[C@H](C)[NH+]2CCOCC2)n1 ZINC000244602100 243044416 /nfs/dbraw/zinc/04/44/16/243044416.db2.gz DXMGLWGNCXMKRJ-AWEZNQCLSA-N 1 0 325.478 2.001 50 0 EEAARO O=C(CC[NH+]1CCC([C@@H](O)c2ccccn2)CC1)Nc1nccs1 ZINC000244691720 243059404 /nfs/dbraw/zinc/05/94/04/243059404.db2.gz JHZSKIYWLKYEEY-MRXNPFEDSA-N 1 0 346.456 2.312 50 0 EEAARO OCc1cn(C[C@@H]2CCC[N@H+](Cc3nc4c(s3)CCCC4)C2)nn1 ZINC000020600213 212150957 /nfs/dbraw/zinc/15/09/57/212150957.db2.gz TWCWQWKUNAREHY-CYBMUJFWSA-N 1 0 347.488 2.018 50 0 EEAARO CN1CC[N@H+](C)[C@@H](CC(=O)NCc2cc(Cl)ccc2Cl)C1 ZINC000020539978 212145480 /nfs/dbraw/zinc/14/54/80/212145480.db2.gz DTWPPIOSJKYGCK-ZDUSSCGKSA-N 1 0 330.259 2.246 50 0 EEAARO OCc1cn(CC2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)nn1 ZINC000019537252 212041685 /nfs/dbraw/zinc/04/16/85/212041685.db2.gz UUTPONQMLZFPII-LJQANCHMSA-N 1 0 326.444 2.040 50 0 EEAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(Cc1cccnc1)C(=O)N2C ZINC000014746198 211760936 /nfs/dbraw/zinc/76/09/36/211760936.db2.gz JEFSXWFAQWZDNU-CQSZACIVSA-N 1 0 330.432 2.109 50 0 EEAARO CC(C)c1cc(C(=O)NCC[N@H+](C)CCc2ccccc2)n(C)n1 ZINC000082109170 217469721 /nfs/dbraw/zinc/46/97/21/217469721.db2.gz VZUCUUPYQWPTJR-UHFFFAOYSA-N 1 0 328.460 2.448 50 0 EEAARO COc1cc2c(cc1C[NH2+][C@H]1CCOC3(CCOCC3)C1)OCCO2 ZINC000082127704 217472958 /nfs/dbraw/zinc/47/29/58/217472958.db2.gz SUDIETCCHYMBRT-HNNXBMFYSA-N 1 0 349.427 2.284 50 0 EEAARO O=C(c1cccc(=O)[nH]1)N1C[C@@H]2CC[C@H]1C[N@H+](Cc1ccccc1)C2 ZINC000215369712 296247876 /nfs/dbraw/zinc/24/78/76/296247876.db2.gz GXDPZIZPJMYHEA-SJORKVTESA-N 1 0 337.423 2.112 50 0 EEAARO Cc1ccc(C[NH2+]C[C@@]2(O)CCCN(CC3CC3)C2=O)c(F)c1F ZINC000012205329 211320279 /nfs/dbraw/zinc/32/02/79/211320279.db2.gz GPADPRQYEAMUAN-SFHVURJKSA-N 1 0 338.398 2.126 50 0 EEAARO COc1cccc(CN2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)c1OC ZINC000091595517 218029147 /nfs/dbraw/zinc/02/91/47/218029147.db2.gz FWEMJRSQMGKZEE-QZTJIDSGSA-N 1 0 348.487 2.230 50 0 EEAARO OC[C@H]1CN(c2noc(-c3ccccc3)n2)C[C@H]1C[NH+]1CCCCC1 ZINC000091665117 218044235 /nfs/dbraw/zinc/04/42/35/218044235.db2.gz AKBKHXJFCLKHEE-IAGOWNOFSA-N 1 0 342.443 2.267 50 0 EEAARO COc1ccc2[nH]c(CNC(=O)CC[C@@H]3CCCC[N@@H+]3C)nc2c1 ZINC000095357381 218290216 /nfs/dbraw/zinc/29/02/16/218290216.db2.gz XAWBRIKILQVIJG-ZDUSSCGKSA-N 1 0 330.432 2.452 50 0 EEAARO Cn1ccnc1SCCNC(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095369161 218301687 /nfs/dbraw/zinc/30/16/87/218301687.db2.gz RLDRXUYCPGXCFW-MRXNPFEDSA-N 1 0 344.484 2.409 50 0 EEAARO C[NH+]1CCC(C2CCN(C(=O)c3ccn(C(F)F)n3)CC2)CC1 ZINC000095372014 218305524 /nfs/dbraw/zinc/30/55/24/218305524.db2.gz GAOXPVIXEPPFLY-UHFFFAOYSA-N 1 0 326.391 2.472 50 0 EEAARO Cc1ccc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)cn1 ZINC000095388898 218320336 /nfs/dbraw/zinc/32/03/36/218320336.db2.gz YHCLXKMVMJMXAS-QGZVFWFLSA-N 1 0 341.459 2.168 50 0 EEAARO O=C(NC[C@H](c1ccsc1)[NH+]1CCCC1)C(=O)NC1CCCC1 ZINC000008864182 211014091 /nfs/dbraw/zinc/01/40/91/211014091.db2.gz LDULDXREFZURJQ-OAHLLOKOSA-N 1 0 335.473 2.060 50 0 EEAARO Cc1cccc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)n1 ZINC000095384746 218316645 /nfs/dbraw/zinc/31/66/45/218316645.db2.gz BATFAAIVZGUYAO-INIZCTEOSA-N 1 0 341.459 2.168 50 0 EEAARO Cn1cc(C[NH2+]CCCN2CCCCCC2=O)c(-c2cccnc2)n1 ZINC000097159684 218976649 /nfs/dbraw/zinc/97/66/49/218976649.db2.gz YTXTWSMDCZCCQJ-UHFFFAOYSA-N 1 0 341.459 2.364 50 0 EEAARO COC(=O)c1ccc(NC(=O)N2CCCC[C@H]2C[NH3+])cc1Cl ZINC000097324053 219012165 /nfs/dbraw/zinc/01/21/65/219012165.db2.gz MFZBLBKZCWMGIE-NSHDSACASA-N 1 0 325.796 2.472 50 0 EEAARO O=C(C[C@@H]1COCC[NH2+]1)N(CCc1ccccc1)Cc1ccccn1 ZINC000097604064 219040374 /nfs/dbraw/zinc/04/03/74/219040374.db2.gz XAPXTSLJDWPZFE-LJQANCHMSA-N 1 0 339.439 2.031 50 0 EEAARO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(Cl)cc1)CC2 ZINC000112549232 220346589 /nfs/dbraw/zinc/34/65/89/220346589.db2.gz SECDAANXJDTIMQ-QMTHXVAHSA-N 1 0 333.823 2.172 50 0 EEAARO CN(C)c1ccc(CCC(=O)N[C@H]2COC[C@@H]2[NH+]2CCCCC2)cc1 ZINC000299780295 258089557 /nfs/dbraw/zinc/08/95/57/258089557.db2.gz MZTWDMGDSSYNSC-OALUTQOASA-N 1 0 345.487 2.055 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(-c2cc(=O)[nH]cn2)c1 ZINC000299784831 258092384 /nfs/dbraw/zinc/09/23/84/258092384.db2.gz KYSDSZQCGBPNET-HNNXBMFYSA-N 1 0 326.400 2.063 50 0 EEAARO CO[C@]12CC[N@H+](CCc3nc4cc(F)ccc4[nH]3)[C@H]1C[C@H](O)CC2 ZINC000299800352 258103725 /nfs/dbraw/zinc/10/37/25/258103725.db2.gz UWQIMXLPWZGIEI-RPVQJOFSSA-N 1 0 333.407 2.249 50 0 EEAARO COCc1cc(C[N@@H+]2CC[C@]3(OC)CC[C@H](O)C[C@H]23)ccc1OC ZINC000299800929 258104363 /nfs/dbraw/zinc/10/43/63/258104363.db2.gz JOJUNEJESJKHHV-YTQUADARSA-N 1 0 335.444 2.346 50 0 EEAARO C[N@@H+]1CCOC[C@H](CNC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000299802288 258105445 /nfs/dbraw/zinc/10/54/45/258105445.db2.gz ZSKRWHZQYKAJGP-LLVKDONJSA-N 1 0 331.338 2.405 50 0 EEAARO O=C1C[C@@H](C[NH+]2CCC(c3nnc[nH]3)CC2)CN1c1ccccc1 ZINC000299764814 258080064 /nfs/dbraw/zinc/08/00/64/258080064.db2.gz MIBUWJQMPRMIHS-AWEZNQCLSA-N 1 0 325.416 2.037 50 0 EEAARO c1ccc2c(c1)C[C@H](C[NH+]1CCC(N3CCOCC3)CC1)CCO2 ZINC000095531451 285515546 /nfs/dbraw/zinc/51/55/46/285515546.db2.gz UXEFWEVBXWJPCK-QGZVFWFLSA-N 1 0 330.472 2.424 50 0 EEAARO O=C(N[C@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccc2nccn2c1 ZINC000360736488 164371382 /nfs/dbraw/zinc/37/13/82/164371382.db2.gz GGXSGKDYUWBRRN-SJORKVTESA-N 1 0 338.386 2.349 50 0 EEAARO COc1ccccc1-c1cc2nc(C)cc(N3CC[NH+](C)CC3)n2n1 ZINC000021150496 274155893 /nfs/dbraw/zinc/15/58/93/274155893.db2.gz SWFYNBCGOKMUID-UHFFFAOYSA-N 1 0 337.427 2.465 50 0 EEAARO CC[N@@H+]1CCC[C@H](CCNS(=O)(=O)c2ccccc2OC)C1 ZINC000067741949 276175814 /nfs/dbraw/zinc/17/58/14/276175814.db2.gz OLHYJJHHKHHWGR-CQSZACIVSA-N 1 0 326.462 2.096 50 0 EEAARO CCn1c(=O)c2c3c(sc2nc1N1CC[NH+](CC)CC1)CCCC3 ZINC000012391610 279376697 /nfs/dbraw/zinc/37/66/97/279376697.db2.gz NSRDTRSOSXRYFI-UHFFFAOYSA-N 1 0 346.500 2.499 50 0 EEAARO [NH3+]CCn1cc(C(=O)N2CCCCC[C@H]2c2cccc(F)c2)nn1 ZINC000077505349 303390535 /nfs/dbraw/zinc/39/05/35/303390535.db2.gz UARBYMSXDTVMBX-INIZCTEOSA-N 1 0 331.395 2.133 50 0 EEAARO C[N@@H+](Cc1cc(=O)n2ccsc2n1)C[C@@H]1Cc2ccccc2O1 ZINC000252487836 464964903 /nfs/dbraw/zinc/96/49/03/464964903.db2.gz ICBOJILQAYHSDK-AWEZNQCLSA-N 1 0 327.409 2.192 50 0 EEAARO CC[C@H](C[NH+](C)C)NC(=O)N(C)Cc1nnc(-c2ccccc2)o1 ZINC000534647836 468269441 /nfs/dbraw/zinc/26/94/41/468269441.db2.gz XAGCPWQIKBVFHK-CQSZACIVSA-N 1 0 331.420 2.218 50 0 EEAARO C[C@H](CCc1ccccc1)[NH2+]C[C@H](O)c1ccc(O)c(C(N)=O)c1 ZINC000000004319 462540346 /nfs/dbraw/zinc/54/03/46/462540346.db2.gz SGUAFYQXFOLMHL-ACJLOTCBSA-N 1 0 328.412 2.135 50 0 fda EEAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CC1 ZINC000000128584 462543455 /nfs/dbraw/zinc/54/34/55/462543455.db2.gz YWCAJJSOOGTLCC-UHFFFAOYSA-N 1 0 349.431 2.378 50 0 EEAARO Cc1ccc(S(=O)(=O)N(C[C@@H](O)C[NH+](C)C)c2ccccc2)cc1 ZINC000002205178 462591906 /nfs/dbraw/zinc/59/19/06/462591906.db2.gz DMHKLPBBWSMSJA-KRWDZBQOSA-N 1 0 348.468 2.113 50 0 EEAARO C[C@@H]1CN(Cc2ccc(C(=O)N[C@@H]3CCCC[C@H]3[NH3+])cc2)C[C@@H](C)O1 ZINC000128485169 462643660 /nfs/dbraw/zinc/64/36/60/462643660.db2.gz GBIAXVQKBUDJHT-OHDICMOHSA-N 1 0 345.487 2.296 50 0 EEAARO Cc1cc(C)n(CC[NH2+]C2CCN(Cc3ccccc3)CC2)c(=O)n1 ZINC000065375675 462760243 /nfs/dbraw/zinc/76/02/43/462760243.db2.gz JPYGPRYVRUWFJX-UHFFFAOYSA-N 1 0 340.471 2.114 50 0 EEAARO COc1ccc(C(=O)N[C@H]2CCCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000012717784 462864393 /nfs/dbraw/zinc/86/43/93/462864393.db2.gz XHGBMPPQHDIKKK-HNNXBMFYSA-N 1 0 349.450 2.123 50 0 EEAARO CCc1cccc(OC2CN(C(=O)C[C@@H]3C[N@@H+](C(C)C)CCO3)C2)c1 ZINC000091305610 462871159 /nfs/dbraw/zinc/87/11/59/462871159.db2.gz WLUZDNNKIVPPEI-GOSISDBHSA-N 1 0 346.471 2.338 50 0 EEAARO CCN(CC)C(=O)c1sc2ncnc(NCC[NH+](C)C)c2c1C ZINC000014880661 462934000 /nfs/dbraw/zinc/93/40/00/462934000.db2.gz UNBJWHBUFFUZGL-UHFFFAOYSA-N 1 0 335.477 2.455 50 0 EEAARO CC(C)CCC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000014972354 462936210 /nfs/dbraw/zinc/93/62/10/462936210.db2.gz QSUGVRIJIKWKBU-INIZCTEOSA-N 1 0 349.519 2.404 50 0 EEAARO CN(C(=O)Cn1cccn1)[C@@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014973346 462936368 /nfs/dbraw/zinc/93/63/68/462936368.db2.gz OCNYMRAMABCAGS-LJQANCHMSA-N 1 0 340.471 2.439 50 0 EEAARO CCn1c(CN(C)C)nnc1C1CC[NH+](Cc2ccccn2)CC1 ZINC000077299070 462964723 /nfs/dbraw/zinc/96/47/23/462964723.db2.gz ALZTZUBQISHHEU-UHFFFAOYSA-N 1 0 328.464 2.134 50 0 EEAARO CCCCCCN1CC2(CCN(C(=O)[C@@H]([NH3+])C3CC3)CC2)OC1=O ZINC000077390614 462978506 /nfs/dbraw/zinc/97/85/06/462978506.db2.gz QCMWQDYJNXXHRI-HNNXBMFYSA-N 1 0 337.464 2.117 50 0 EEAARO Cc1ccc(C)c2c(=O)cc(C[NH2+]CCCN3CCCC3=O)[nH]c12 ZINC000077427697 462983640 /nfs/dbraw/zinc/98/36/40/462983640.db2.gz JZJQKVSWKXAJKL-UHFFFAOYSA-N 1 0 327.428 2.247 50 0 EEAARO Cc1ccc(C[N@@H+]2CCC[C@H](c3nccn3CC(N)=O)C2)c(C)c1 ZINC000095506152 463098345 /nfs/dbraw/zinc/09/83/45/463098345.db2.gz CHENUODSTDQFHI-KRWDZBQOSA-N 1 0 326.444 2.365 50 0 EEAARO CCCc1cncnc1N1CCC([NH2+][C@@H]2CN3CCC2CC3)CC1 ZINC000095522308 463101719 /nfs/dbraw/zinc/10/17/19/463101719.db2.gz OTQZGUDTTDPDCA-GOSISDBHSA-N 1 0 329.492 2.082 50 0 EEAARO COc1cccc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)c1OC ZINC000030900342 463317175 /nfs/dbraw/zinc/31/71/75/463317175.db2.gz QBYWVDLKXNLRJN-UHFFFAOYSA-N 1 0 343.427 2.225 50 0 EEAARO [NH3+][C@H](CNS(=O)(=O)c1cccc2ncccc21)c1ccccc1 ZINC000123777087 463367721 /nfs/dbraw/zinc/36/77/21/463367721.db2.gz PCOXGVPVNMCKDX-OAHLLOKOSA-N 1 0 327.409 2.213 50 0 EEAARO CC(C)C[N@@H+]1CCO[C@H](CNC(=O)c2ccc3ncsc3c2)C1 ZINC000032267900 463368090 /nfs/dbraw/zinc/36/80/90/463368090.db2.gz DTAPZPDHJZJECZ-CQSZACIVSA-N 1 0 333.457 2.383 50 0 EEAARO CN(CCc1ccccc1)C(=O)[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000071613832 463418283 /nfs/dbraw/zinc/41/82/83/463418283.db2.gz KCYRNCXNNWUGDB-IBGZPJMESA-N 1 0 343.515 2.494 50 0 EEAARO O=C(c1ccc2c3c(cccc31)CC2)[C@H]1CCC[N@@H+](C(CO)CO)C1 ZINC000071750192 463420752 /nfs/dbraw/zinc/42/07/52/463420752.db2.gz XFTWXRWRYWFGNA-INIZCTEOSA-N 1 0 339.435 2.186 50 0 EEAARO COCCC(=O)N1C[C@@H](c2ccc(OC)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071774418 463424821 /nfs/dbraw/zinc/42/48/21/463424821.db2.gz OUJAHLXEYNILFT-DFQSSKMNSA-N 1 0 344.455 2.120 50 0 EEAARO CN(C)c1ccc(C[N@@H+]2CCC[C@H](NC(=O)N3CCCC3)CC2)cn1 ZINC000082126978 463517573 /nfs/dbraw/zinc/51/75/73/463517573.db2.gz FBPWXFIGLKSGSY-KRWDZBQOSA-N 1 0 345.491 2.308 50 0 EEAARO C[C@H](CNC(=O)c1cn(C)nc1C(F)(F)F)[N@@H+]1CCC[C@@H](C)C1 ZINC000106514799 463519151 /nfs/dbraw/zinc/51/91/51/463519151.db2.gz GGWWOAOXCWVTSR-GHMZBOCLSA-N 1 0 332.370 2.289 50 0 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EEAARO CSCCCN1C(=O)CC[C@H]2C[N@H+](C3CCOCC3)CC[C@H]21 ZINC000072468497 216247261 /nfs/dbraw/zinc/24/72/61/216247261.db2.gz KHUXQBGFWKBKFR-GOEBONIOSA-N 1 0 326.506 2.231 50 0 EEAARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCCN(c2cc[nH+]cc2)C1 ZINC000072475120 216253173 /nfs/dbraw/zinc/25/31/73/216253173.db2.gz LYDSLTHWBMIQLU-OAHLLOKOSA-N 1 0 326.448 2.190 50 0 EEAARO C[NH+](C)C[C@@H]1CCN(C(=O)NCCc2ccc(Br)o2)C1 ZINC000130391181 223149118 /nfs/dbraw/zinc/14/91/18/223149118.db2.gz UVYVAKIVYOUPHD-NSHDSACASA-N 1 0 344.253 2.178 50 0 EEAARO CC(C)CN1CCO[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000023624100 212386052 /nfs/dbraw/zinc/38/60/52/212386052.db2.gz CUOTYXSYJGSYNC-FUHWJXTLSA-N 1 0 333.476 2.350 50 0 EEAARO C[NH2+]Cc1cn(C2CCN(C(=O)c3nc(C(C)C)cs3)CC2)nn1 ZINC000023399598 212375967 /nfs/dbraw/zinc/37/59/67/212375967.db2.gz PUCCDXHVXPKKBT-UHFFFAOYSA-N 1 0 348.476 2.055 50 0 EEAARO C[NH+](C)CCNC(=O)/C(=C\c1ccccc1)NC(=O)c1ccccc1 ZINC000023199958 212359982 /nfs/dbraw/zinc/35/99/82/212359982.db2.gz 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241284329 /nfs/dbraw/zinc/28/43/29/241284329.db2.gz MMXJHLQFIVFFJG-MRXNPFEDSA-N 1 0 343.427 2.026 50 0 EEAARO COCC[N@@H+]1CCC[C@H](C(=O)N2CCC(Cc3cccnc3)CC2)C1 ZINC000426510123 241302835 /nfs/dbraw/zinc/30/28/35/241302835.db2.gz LSJVWPVLNIVCDJ-IBGZPJMESA-N 1 0 345.487 2.221 50 0 EEAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCc2ccc(-c3ccc(F)cc3)o2)C1 ZINC000219109863 241364592 /nfs/dbraw/zinc/36/45/92/241364592.db2.gz UWHYWXXGQCLXLN-MRXNPFEDSA-N 1 0 345.418 2.338 50 0 EEAARO COCc1nc(NCc2ccc3c(c2)CCO3)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244716087 243066463 /nfs/dbraw/zinc/06/64/63/243066463.db2.gz LIDVMRVHGFBDQN-SHTZXODSSA-N 1 0 340.427 2.375 50 0 EEAARO C[N@H+]1CC=C(c2noc(CCC(=O)Nc3cccnc3Cl)n2)CC1 ZINC000020467438 212134757 /nfs/dbraw/zinc/13/47/57/212134757.db2.gz VUYZQBYPPVTVRO-UHFFFAOYSA-N 1 0 347.806 2.408 50 0 EEAARO CC(C)[N@@H+]1CCN(Cc2cccn2-c2nccs2)C[C@@H]1CCO ZINC000020254677 212114306 /nfs/dbraw/zinc/11/43/06/212114306.db2.gz YTRUPNWYOFOMHU-INIZCTEOSA-N 1 0 334.489 2.211 50 0 EEAARO C[NH+](C)CCN[C@@H](NC(=O)c1cccs1)C(Cl)(Cl)Cl ZINC000020149748 212106773 /nfs/dbraw/zinc/10/67/73/212106773.db2.gz DSHHVDQRXVARIA-JTQLQIEISA-N 1 0 344.695 2.325 50 0 EEAARO O=C(CCn1cccn1)N[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000012438566 211381073 /nfs/dbraw/zinc/38/10/73/211381073.db2.gz CBBZRCVUGRPZIA-IBGZPJMESA-N 1 0 340.471 2.487 50 0 EEAARO CC[NH+](CC)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000012192711 211315206 /nfs/dbraw/zinc/31/52/06/211315206.db2.gz GIDNHYZJYULQII-KRWDZBQOSA-N 1 0 326.387 2.160 50 0 EEAARO COc1ccccc1N1CCN(Cc2ccc(CC[NH3+])cc2)CC1=O ZINC000091586270 218025503 /nfs/dbraw/zinc/02/55/03/218025503.db2.gz GIFCONLYWRIWHR-UHFFFAOYSA-N 1 0 339.439 2.045 50 0 EEAARO COC(=O)CCCC(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1 ZINC000011772128 211247156 /nfs/dbraw/zinc/24/71/56/211247156.db2.gz WFGQDAYOKMJJPO-KRWDZBQOSA-N 1 0 332.444 2.453 50 0 EEAARO COCCCN1CC2(CCC1=O)CC[NH+](Cc1cc(C)no1)CC2 ZINC000091665159 218044750 /nfs/dbraw/zinc/04/47/50/218044750.db2.gz 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Cc1nc2ccccc2nc1N(C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000112556385 220349483 /nfs/dbraw/zinc/34/94/83/220349483.db2.gz SLPODPPIPIXOIN-CQSZACIVSA-N 1 0 328.460 2.467 50 0 EEAARO Cc1ncn(CC(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)c1C ZINC000299793422 258098927 /nfs/dbraw/zinc/09/89/27/258098927.db2.gz IAISAZIZVYSJAE-GOSISDBHSA-N 1 0 326.444 2.015 50 0 EEAARO CC[N@@H+](Cc1ccc(C(=O)NC)cc1)C[C@@H](O)c1cccc(O)c1 ZINC000299796549 258101055 /nfs/dbraw/zinc/10/10/55/258101055.db2.gz OUCROYGALXEZJW-GOSISDBHSA-N 1 0 328.412 2.307 50 0 EEAARO Cn1cc(CC[N@H+](C)Cc2cnc(NCc3ccccc3)nc2)cn1 ZINC000215965421 258072429 /nfs/dbraw/zinc/07/24/29/258072429.db2.gz OKZZWQIOOBFKBL-UHFFFAOYSA-N 1 0 336.443 2.497 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cc(-c4ccncc4)no3)[C@H]1C[C@H](O)CC2 ZINC000299765578 258080747 /nfs/dbraw/zinc/08/07/47/258080747.db2.gz IHLZIXVXXYOJNV-FHLIZLRMSA-N 1 0 329.400 2.241 50 0 EEAARO C[NH+]1CCC(O)(CNC(=O)Nc2cccc(C(F)(F)F)c2F)CC1 ZINC000299768515 258082629 /nfs/dbraw/zinc/08/26/29/258082629.db2.gz VQOCOTMTAZTLGT-UHFFFAOYSA-N 1 0 349.328 2.423 50 0 EEAARO C1=CC[NH+]([C@@H]2CCN(c3ncnc4c3cnn4-c3ccccc3)C2)C1 ZINC000101341822 275411412 /nfs/dbraw/zinc/41/14/12/275411412.db2.gz XQJOIENLHFLBJI-MRXNPFEDSA-N 1 0 332.411 2.266 50 0 EEAARO NCc1nc(C(=O)N2CC[NH2+]C[C@@H]2c2cccc(Cl)c2)cs1 ZINC000262091868 295279448 /nfs/dbraw/zinc/27/94/48/295279448.db2.gz UOGKZCRVLXASAY-CYBMUJFWSA-N 1 0 336.848 2.042 50 0 EEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)N(Cc1cocn1)Cc1cocn1 ZINC000534643534 468269478 /nfs/dbraw/zinc/26/94/78/468269478.db2.gz PKYPBXKZAZPRSP-AWEZNQCLSA-N 1 0 347.419 2.249 50 0 EEAARO C[NH+]1CCN(c2ccc(NC(=O)COc3ccccc3)cc2)CC1 ZINC000000561772 462569926 /nfs/dbraw/zinc/56/99/26/462569926.db2.gz WWBRMJSBGXUIAM-UHFFFAOYSA-N 1 0 325.412 2.456 50 0 EEAARO CCOC(=O)C(Cc1ccc(OC)c(C[NH+](C)C)c1)C(=O)OCC ZINC000001748009 462585947 /nfs/dbraw/zinc/58/59/47/462585947.db2.gz MFRIYLZTKRXJNQ-UHFFFAOYSA-N 1 0 337.416 2.042 50 0 EEAARO Cc1ccc(N(C[C@H](O)C[NH+](C)C)S(=O)(=O)c2ccccc2)cc1 ZINC000002201029 462590560 /nfs/dbraw/zinc/59/05/60/462590560.db2.gz ODYKVEDYXMUXMS-QGZVFWFLSA-N 1 0 348.468 2.113 50 0 EEAARO C[N@H+](CCNC(=O)[C@@H]1CC(=O)N(C2CCCC2)C1)Cc1ccccc1 ZINC000004706426 462636154 /nfs/dbraw/zinc/63/61/54/462636154.db2.gz VVMITETXELOSEL-QGZVFWFLSA-N 1 0 343.471 2.026 50 0 EEAARO O=C1CCCN1c1ccc(N2CCC([NH2+]CCCCO)CC2)cc1 ZINC000063856854 462678368 /nfs/dbraw/zinc/67/83/68/462678368.db2.gz PJYXDULFJVMXNW-UHFFFAOYSA-N 1 0 331.460 2.144 50 0 EEAARO COc1ccccc1NC(=O)N1CCC[N@H+](CCn2cccn2)CC1 ZINC000075162623 462690022 /nfs/dbraw/zinc/69/00/22/462690022.db2.gz XOJRGIHLEVUQCP-UHFFFAOYSA-N 1 0 343.431 2.132 50 0 EEAARO C[C@@H](COc1ccccc1)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000065387493 462762807 /nfs/dbraw/zinc/76/28/07/462762807.db2.gz STDBGPOXKCZHOJ-AWEZNQCLSA-N 1 0 325.412 2.434 50 0 EEAARO COC(=O)c1cccc(OC[C@@H](O)C[NH2+]Cc2cccc(OC)c2)c1 ZINC000008314501 462777948 /nfs/dbraw/zinc/77/79/48/462777948.db2.gz URKLSAIJYVXKBL-INIZCTEOSA-N 1 0 345.395 2.011 50 0 EEAARO C[NH+](C)[C@H]1CCN(C(=O)c2ccc(F)cc2F)C[C@H]1CCCO ZINC000091288679 462870465 /nfs/dbraw/zinc/87/04/65/462870465.db2.gz SCSFMCOWDYQTLK-WBMJQRKESA-N 1 0 326.387 2.130 50 0 EEAARO Cc1ccn(CCC(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)n1 ZINC000014964901 462936335 /nfs/dbraw/zinc/93/63/35/462936335.db2.gz LGVCRPYKRRFREJ-IBGZPJMESA-N 1 0 340.471 2.405 50 0 EEAARO Cc1cc(C)n(Cc2c(C)onc2C(=O)NCCC[NH+]2CCCC2)n1 ZINC000015736219 462961233 /nfs/dbraw/zinc/96/12/33/462961233.db2.gz MDMUQUVKSBNZJL-UHFFFAOYSA-N 1 0 345.447 2.060 50 0 EEAARO O=C(CNC(=O)c1ccccc1)OC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000017466955 463000358 /nfs/dbraw/zinc/00/03/58/463000358.db2.gz HOXLEEYZWFUSMS-SJORKVTESA-N 1 0 330.428 2.224 50 0 biogenic EEAARO c1cnn(-c2ccccc2C[N@@H+]2CCCN(c3ncccn3)CC2)c1 ZINC000093056376 463005591 /nfs/dbraw/zinc/00/55/91/463005591.db2.gz JLIOOGWKFIZWMC-UHFFFAOYSA-N 1 0 334.427 2.375 50 0 EEAARO CCOC(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N(CC)CC)C2)CC1 ZINC000023282815 463063742 /nfs/dbraw/zinc/06/37/42/463063742.db2.gz RPBQUIKUXKPHKX-HNNXBMFYSA-N 1 0 339.480 2.188 50 0 EEAARO CSc1ncc(CNC(=O)[C@@H]2CCC[N@H+](Cc3ccco3)C2)n1C ZINC000095512830 463100385 /nfs/dbraw/zinc/10/03/85/463100385.db2.gz HXIWBAPJHXJUQY-CYBMUJFWSA-N 1 0 348.472 2.263 50 0 EEAARO C[C@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000025404911 463123143 /nfs/dbraw/zinc/12/31/43/463123143.db2.gz KYLLZYHLEXRVCD-QGZVFWFLSA-N 1 0 345.487 2.009 50 0 EEAARO COc1ccc(CC[NH2+]CCS(=O)(=O)c2ccccc2)cc1OC ZINC000096027576 463142362 /nfs/dbraw/zinc/14/23/62/463142362.db2.gz JFFWSBWUOSIFKP-UHFFFAOYSA-N 1 0 349.452 2.310 50 0 EEAARO Cc1nn(C)c2nc(N3CCCO[C@H](C[NH+]4CCCC4)C3)sc12 ZINC000096164511 463193316 /nfs/dbraw/zinc/19/33/16/463193316.db2.gz CJJJAUSQVPXUCH-CYBMUJFWSA-N 1 0 335.477 2.029 50 0 EEAARO COc1ccc(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)cc1 ZINC000033069164 463411179 /nfs/dbraw/zinc/41/11/79/463411179.db2.gz UYCRGTHFIQLRMK-UHFFFAOYSA-N 1 0 342.399 2.368 50 0 EEAARO CC(C)(C[NH2+]CC1(S(C)(=O)=O)CCOCC1)c1ccccc1 ZINC000104355155 463413999 /nfs/dbraw/zinc/41/39/99/463413999.db2.gz LAZRUNOTNMETIZ-UHFFFAOYSA-N 1 0 325.474 2.148 50 0 EEAARO CCCNC(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071767958 463424879 /nfs/dbraw/zinc/42/48/79/463424879.db2.gz NAKGBFYQXDQFHD-SFHVURJKSA-N 1 0 344.503 2.284 50 0 EEAARO CSCC(=O)NCc1cc2n(n1)CCC[N@@H+](C1CCCCC1)C2 ZINC000082092848 463512627 /nfs/dbraw/zinc/51/26/27/463512627.db2.gz LBRNHSJZKBBPFD-UHFFFAOYSA-N 1 0 336.505 2.401 50 0 EEAARO CC(C)(C)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000082096485 463513061 /nfs/dbraw/zinc/51/30/61/463513061.db2.gz CMDMJDVSIWWEHI-INIZCTEOSA-N 1 0 349.519 2.358 50 0 EEAARO COc1ncccc1C(=O)N1CCCN(c2cc[nH+]c(C)c2)CC1 ZINC000082096158 463513311 /nfs/dbraw/zinc/51/33/11/463513311.db2.gz PJZWMWVSXRXBAA-UHFFFAOYSA-N 1 0 326.400 2.146 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)Cn2cc3ccccc3n2)CC1 ZINC000082148092 463520265 /nfs/dbraw/zinc/52/02/65/463520265.db2.gz XIEKCPRRZCLUIG-UHFFFAOYSA-N 1 0 349.438 2.479 50 0 EEAARO C[C@H](CNS(=O)(=O)c1ccc2c(c1)CCO2)[N@@H+]1CCC[C@@H](C)C1 ZINC000106525849 463521927 /nfs/dbraw/zinc/52/19/27/463521927.db2.gz GETJSPPXGVHTQE-ZIAGYGMSSA-N 1 0 338.473 2.020 50 0 EEAARO CC[N@@H+]1CC[C@H](CNC(=O)N[C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000106567613 463525175 /nfs/dbraw/zinc/52/51/75/463525175.db2.gz IDMYCYMRBGVWQY-ZIAGYGMSSA-N 1 0 344.459 2.273 50 0 EEAARO C[C@@H]1Oc2c(cccc2C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2C)NC1=O ZINC000106661936 463530925 /nfs/dbraw/zinc/53/09/25/463530925.db2.gz CWHGLQIWTPURBO-MAZHCROVSA-N 1 0 343.427 2.105 50 0 EEAARO Cc1ccccc1C[N@H+]1CCCN(c2ncnc3c2cnn3C)CC1 ZINC000042104271 463541728 /nfs/dbraw/zinc/54/17/28/463541728.db2.gz ICJAHQHVMKMZKU-UHFFFAOYSA-N 1 0 336.443 2.384 50 0 EEAARO COc1cccc([C@H]2[C@@H]([NH2+]Cc3nccn3C)CCN2C2CC2)c1 ZINC000108380939 463601791 /nfs/dbraw/zinc/60/17/91/463601791.db2.gz WYDRPGNKVGNIED-HKUYNNGSSA-N 1 0 326.444 2.496 50 0 EEAARO CCNC(=O)CN1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000216285083 464106995 /nfs/dbraw/zinc/10/69/95/464106995.db2.gz HQILZPFPRVNLNA-GOSISDBHSA-N 1 0 335.467 2.494 50 0 EEAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1cc(Cl)ccc1O ZINC000222812464 464132819 /nfs/dbraw/zinc/13/28/19/464132819.db2.gz DXHQXELUOXBDBC-MSQAHXEGSA-N 1 0 336.819 2.027 50 0 EEAARO Cc1nn(C(C)C)c(C)c1CN(C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000223031367 464135707 /nfs/dbraw/zinc/13/57/07/464135707.db2.gz ONSMWEQAAZKJKD-UHFFFAOYSA-N 1 0 343.479 2.294 50 0 EEAARO CCOc1cc(C)c(S(=O)(=O)NCC[NH+](CC)CC)cc1C ZINC000230512524 464204696 /nfs/dbraw/zinc/20/46/96/464204696.db2.gz DQGNMYVXHDMJNV-UHFFFAOYSA-N 1 0 328.478 2.322 50 0 EEAARO Nc1nc(N2CCOc3ccc(Cl)cc3C2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244795630 464463765 /nfs/dbraw/zinc/46/37/65/464463765.db2.gz RKJOYCMGEMHWAN-GSJFWJNXSA-N 1 0 346.818 2.350 50 0 EEAARO COc1cc2c(cc1OC)C[N@H+](CCC(=O)Nc1cccnc1)CC2 ZINC000252489411 464966565 /nfs/dbraw/zinc/96/65/65/464966565.db2.gz JQMSNRCJNCVJRY-UHFFFAOYSA-N 1 0 341.411 2.486 50 0 EEAARO Cc1ccc(-n2cnnc2)cc1NC(=O)NCC[C@@H]1CCC[N@H+]1C ZINC000299774778 465885293 /nfs/dbraw/zinc/88/52/93/465885293.db2.gz IKNJRQXIEQHVPQ-AWEZNQCLSA-N 1 0 328.420 2.182 50 0 EEAARO CN(CCn1ccnc1)C(=O)NC[C@@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000584896827 468958771 /nfs/dbraw/zinc/95/87/71/468958771.db2.gz TXMHZKIXARCYEO-INIZCTEOSA-N 1 0 345.447 2.030 50 0 EEAARO COc1cccc([C@@H]([NH3+])C(=O)Nc2cc3c([nH]c2=O)CCCC3)c1 ZINC000638383693 471068538 /nfs/dbraw/zinc/06/85/38/471068538.db2.gz JAXOADGYMLDWKW-MRXNPFEDSA-N 1 0 327.384 2.313 50 0 EEAARO CC1(CNS(=O)(=O)c2ccccc2Br)CC[NH2+]CC1 ZINC000129260833 527985865 /nfs/dbraw/zinc/98/58/65/527985865.db2.gz KDGKSBCOIBRVFD-UHFFFAOYSA-N 1 0 347.278 2.117 50 0 EEAARO COc1cccc(-c2ccc(C(=O)N3CCO[C@H](C[NH3+])C3)cc2)c1 ZINC000244695622 537064651 /nfs/dbraw/zinc/06/46/51/537064651.db2.gz JPLLYFCVTOIQEY-GOSISDBHSA-N 1 0 326.396 2.162 50 0 EEAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@@H]([NH2+]Cc1ccsc1)C2 ZINC000014731357 682391181 /nfs/dbraw/zinc/39/11/81/682391181.db2.gz UQZLEXTZCOHVKF-CQSZACIVSA-N 1 0 344.484 2.365 50 0 EEAARO CC(C)SCC[N@@H+]1CCCN(C(=O)c2ccc(C(N)=O)cc2)CC1 ZINC001772701383 1179284263 /nfs/dbraw/zinc/28/42/63/1179284263.db2.gz LIEPPPABYGFENH-UHFFFAOYSA-N 1 0 349.500 2.075 50 0 EEAARO OCCn1nccc1C1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000111212606 1204966829 /nfs/dbraw/zinc/96/68/29/1204966829.db2.gz GSWARYKYCBWVMW-UHFFFAOYSA-N 1 0 327.428 2.190 50 0 EEAARO COC(=O)c1ccc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)cc1 ZINC000012704745 1221893986 /nfs/dbraw/zinc/89/39/86/1221893986.db2.gz CFIJOLXZPVNPAC-MRXNPFEDSA-N 1 0 326.400 2.022 50 0 EEAARO Cn1ccnc1[C@H](O)C1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000019742576 1229382694 /nfs/dbraw/zinc/38/26/94/1229382694.db2.gz OBCKKYBFNZRNPW-CRAIPNDOSA-N 1 0 343.427 2.006 50 0 EEAARO COc1cccc2c1OC[C@H]([NH2+]Cc1ccc(-n3cncn3)cc1)C2 ZINC000020204907 1229483585 /nfs/dbraw/zinc/48/35/85/1229483585.db2.gz PRCNOYPGYFZRPO-MRXNPFEDSA-N 1 0 336.395 2.369 50 0 EEAARO Cn1ccc2ccc(C[N@@H+]3CCCN(C(=O)[C@H]4CCCO4)CC3)cc21 ZINC001772805484 1410368530 /nfs/dbraw/zinc/36/85/30/1410368530.db2.gz LZEDRUAQKPFAJH-LJQANCHMSA-N 1 0 341.455 2.392 50 0 EEAARO CN(CC(=O)NCc1cccn2nccc12)Cc1ccc(F)cc1 ZINC001772806108 1410368673 /nfs/dbraw/zinc/36/86/73/1410368673.db2.gz TXZYLZVVHYZSLL-UHFFFAOYSA-N 1 0 326.375 2.222 50 0 EEAARO O=C(NCc1[nH]nc2ncccc12)C1([NH+]2CCCC2)CCCCC1 ZINC001772805718 1410369143 /nfs/dbraw/zinc/36/91/43/1410369143.db2.gz PYDSFLLQNDXUAO-UHFFFAOYSA-N 1 0 327.432 2.373 50 0 EEAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCN(c2ncccc2Cl)CC1 ZINC001772813303 1410371366 /nfs/dbraw/zinc/37/13/66/1410371366.db2.gz WQGPFOOCMFOVTO-OAHLLOKOSA-N 1 0 336.867 2.258 50 0 EEAARO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)NC(=O)C[NH+](C)C ZINC000012592525 788744079 /nfs/dbraw/zinc/74/40/79/788744079.db2.gz CPAWKSFTLDVWNU-AWEZNQCLSA-N 1 0 333.480 2.294 50 0 EEAARO COCC[N@@H+]1CC[C@H](C(=O)Nc2cc(Cl)ccc2N(C)C)C1 ZINC000952873177 796057887 /nfs/dbraw/zinc/05/78/87/796057887.db2.gz HUHYBIWZJKXAKH-LBPRGKRZSA-N 1 0 325.840 2.313 50 0 EEAARO Cc1nonc1C[N@@H+](C)[C@H]1CCC(=O)N(Cc2ccccc2)CC1 ZINC000011977356 799426623 /nfs/dbraw/zinc/42/66/23/799426623.db2.gz VJZOZYSSQCRGFR-INIZCTEOSA-N 1 0 328.416 2.391 50 0 EEAARO O=C(Nc1ccc2c(c1)C[N@H+](C1CCOCC1)CC2)[C@@H]1CCCO1 ZINC000012028062 799596081 /nfs/dbraw/zinc/59/60/81/799596081.db2.gz ZEJHFYZTMQWARG-SFHVURJKSA-N 1 0 330.428 2.341 50 0 EEAARO O=C(c1ccncc1)N1CCC([NH2+][C@H]2COc3ccccc3C2)CC1 ZINC001506399853 1114596074 /nfs/dbraw/zinc/59/60/74/1114596074.db2.gz QVNNWOZMDOTQSF-GOSISDBHSA-N 1 0 337.423 2.280 50 0 EEAARO O=C(c1ccncc1)N1CCC([NH2+][C@@H]2COc3ccccc3C2)CC1 ZINC001506399859 1114596078 /nfs/dbraw/zinc/59/60/78/1114596078.db2.gz QVNNWOZMDOTQSF-SFHVURJKSA-N 1 0 337.423 2.280 50 0 EEAARO C[NH+](C)Cc1ccc([C@@H]2CCCN2C(=O)c2coc(CN)n2)cc1 ZINC001506431799 1114605640 /nfs/dbraw/zinc/60/56/40/1114605640.db2.gz ZQVZXURPQUKMBT-INIZCTEOSA-N 1 0 328.416 2.172 50 0 EEAARO 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EEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3ccoc3)CC2)C1 ZINC000067473385 215151595 /nfs/dbraw/zinc/15/15/95/215151595.db2.gz MCGOIVOSIBOSKS-INIZCTEOSA-N 1 0 331.460 2.235 50 0 EEAARO O=C(NCC[C@@H]1C[N@@H+](C2Cc3ccccc3C2)CCO1)C1CCC1 ZINC000067697395 215189276 /nfs/dbraw/zinc/18/92/76/215189276.db2.gz CRXHUMYSNDCQRA-LJQANCHMSA-N 1 0 328.456 2.161 50 0 EEAARO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2F)C1)c1cccc(=O)[nH]1 ZINC000067712546 215190356 /nfs/dbraw/zinc/19/03/56/215190356.db2.gz WSMZVTHWFSTZPK-CQSZACIVSA-N 1 0 343.402 2.156 50 0 EEAARO [NH3+]C1(C(=O)N2CCC(c3n[nH]cc3-c3cccc(F)c3)CC2)CC1 ZINC000067772376 215209582 /nfs/dbraw/zinc/20/95/82/215209582.db2.gz HSUWBKUSUQWBMB-UHFFFAOYSA-N 1 0 328.391 2.413 50 0 EEAARO Cc1cc(C[C@@H](C)Nc2nc(-c3cccnc3)nc3c2CC[NH2+]C3)n[nH]1 ZINC000067788865 215214256 /nfs/dbraw/zinc/21/42/56/215214256.db2.gz UKRLTVBYBDRHAP-GFCCVEGCSA-N 1 0 349.442 2.259 50 0 EEAARO CC(C)c1cc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccon3)C2)on1 ZINC000067803455 215214517 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COCCN(Cc1ccccc1F)C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000426594879 241314181 /nfs/dbraw/zinc/31/41/81/241314181.db2.gz NXZGRHCIYMBSJI-KRWDZBQOSA-N 1 0 335.423 2.078 50 0 EEAARO COc1cc(OC)c(C(=O)N2[C@@H]3CC[C@H]2C[N@H+](C)CC3)cc1OC ZINC000244817002 243084362 /nfs/dbraw/zinc/08/43/62/243084362.db2.gz SSQCLYXGRKTOGW-OLZOCXBDSA-N 1 0 334.416 2.021 50 0 EEAARO Cc1ccc(C)c([C@@H](C)NC(=O)C[N@H+](C)CC2(CO)CCOCC2)c1 ZINC000244874673 243094005 /nfs/dbraw/zinc/09/40/05/243094005.db2.gz XFKIIYAIRTUBBK-QGZVFWFLSA-N 1 0 348.487 2.202 50 0 EEAARO COC(=O)[C@H]1CCC[N@@H+]([C@@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000255186937 244043653 /nfs/dbraw/zinc/04/36/53/244043653.db2.gz ADBVOZQWEZYFSH-DLBZAZTESA-N 1 0 346.427 2.283 50 0 EEAARO COc1cc(C[NH2+]CCCN2CCOCC2)cc(Cl)c1OC ZINC000020028157 212094858 /nfs/dbraw/zinc/09/48/58/212094858.db2.gz GGOSQQFBBNDTGO-UHFFFAOYSA-N 1 0 328.840 2.169 50 0 EEAARO CC(C)(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)c3ccc[n+]([O-])c3)C2)C1 ZINC000012458497 211388229 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CCOc1ccc(C[NH2+]CCSc2nnnn2C)cc1Cl ZINC000010475041 211175680 /nfs/dbraw/zinc/17/56/80/211175680.db2.gz ZGYFJFGWFWAGSP-UHFFFAOYSA-N 1 0 327.841 2.144 50 0 EEAARO O=S(=O)(NCCC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000010450150 211174446 /nfs/dbraw/zinc/17/44/46/211174446.db2.gz RMZYIWFRQPKZEG-UHFFFAOYSA-N 1 0 347.278 2.213 50 0 EEAARO CCOC(=O)C1=C(C[NH2+]CCC(C)C)NC(=O)N[C@H]1c1ccccc1 ZINC000009862484 211128614 /nfs/dbraw/zinc/12/86/14/211128614.db2.gz AXPIVIQLYQZETD-KRWDZBQOSA-N 1 0 345.443 2.493 50 0 EEAARO Cc1noc(CC2CCN(C(=O)CC[C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000095378899 218310931 /nfs/dbraw/zinc/31/09/31/218310931.db2.gz NINZZKQBWXNJRU-MRXNPFEDSA-N 1 0 334.464 2.281 50 0 EEAARO Cc1cccc2cc(C(=O)NC[C@H](O)C[NH+]3CCCCCC3)n(C)c21 ZINC000095380394 218312613 /nfs/dbraw/zinc/31/26/13/218312613.db2.gz JKEJLNPONLGGEA-KRWDZBQOSA-N 1 0 343.471 2.453 50 0 EEAARO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)N2CCCC2)C1 ZINC000095390303 218321384 /nfs/dbraw/zinc/32/13/84/218321384.db2.gz MPGLXJDISBITFX-INIZCTEOSA-N 1 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COC(=O)C1C(C[NH+]2CCCCCC2)=NC(=O)N[C@H]1c1ccccc1 ZINC000067286632 277051523 /nfs/dbraw/zinc/05/15/23/277051523.db2.gz YDVUGRNYNCKQBU-KRWDZBQOSA-N 1 0 343.427 2.344 50 0 EEAARO COc1ccc([C@H]([NH2+]C2CSCCSC2)[C@H]2C[C@H](O)C2)cn1 ZINC000223559709 295244498 /nfs/dbraw/zinc/24/44/98/295244498.db2.gz SVFOVMRNJSPURI-BJJXKVORSA-N 1 0 340.514 2.340 50 0 EEAARO CCOc1cccc2cc(C(=O)NC3CC[NH+](CC)CC3)c(=O)oc21 ZINC000001459134 462582782 /nfs/dbraw/zinc/58/27/82/462582782.db2.gz BHZPARSYDFWRCN-UHFFFAOYSA-N 1 0 344.411 2.406 50 0 EEAARO Cc1cc(OCC(=O)NCC[NH+](C)C)cc(C)c1Br ZINC000003000835 462608851 /nfs/dbraw/zinc/60/88/51/462608851.db2.gz GDSQRKSHEOLXDQ-UHFFFAOYSA-N 1 0 329.238 2.123 50 0 EEAARO CC(=O)[C@@H]1C[C@H](C(=O)Nc2ccc(N3CC[NH+](C)CC3)cn2)C1(C)C ZINC000128574370 462654215 /nfs/dbraw/zinc/65/42/15/462654215.db2.gz COAMZCIZGOWWNM-JKSUJKDBSA-N 1 0 344.459 2.023 50 0 EEAARO C[NH+]1CCN(c2ccc3nc(-c4ccc(F)cc4)[nH]c(=O)c3c2)CC1 ZINC000005799926 462669881 /nfs/dbraw/zinc/66/98/81/462669881.db2.gz 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COc1cccc(C(=O)N2CCC([N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000013153928 462886550 /nfs/dbraw/zinc/88/65/50/462886550.db2.gz BSTDIQARISFKFV-GASCZTMLSA-N 1 0 332.444 2.409 50 0 EEAARO COc1ccc(OCC[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1 ZINC000091657209 462897099 /nfs/dbraw/zinc/89/70/99/462897099.db2.gz FLXAXCBPEWVRKQ-DLBZAZTESA-N 1 0 344.455 2.407 50 0 EEAARO Cc1nn(C)c2nc(N3CCC([N@@H+]4CCC[C@H](CO)C4)CC3)sc12 ZINC000095530924 463107799 /nfs/dbraw/zinc/10/77/99/463107799.db2.gz APUHMDHJTMFCDU-ZDUSSCGKSA-N 1 0 349.504 2.011 50 0 EEAARO CC[C@H]([NH2+]CCN1CCc2ccccc2C1)C(=O)Nc1cc(C)on1 ZINC000028340777 463223316 /nfs/dbraw/zinc/22/33/16/463223316.db2.gz NIFYDYFQKARYFN-KRWDZBQOSA-N 1 0 342.443 2.348 50 0 EEAARO CC1CC[NH+]([C@@H](CNc2ccc3nnnn3n2)c2cccs2)CC1 ZINC000028936448 463237891 /nfs/dbraw/zinc/23/78/91/463237891.db2.gz KNZNJMCQOKUVAE-ZDUSSCGKSA-N 1 0 343.460 2.466 50 0 EEAARO Cc1ccc([C@@H](CNC(=O)CCNC(=O)[C@@H]2C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000069517656 463264816 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COCCN(Cc1ccccc1Cl)C(=O)NC[C@@H](C)[NH+](C)C ZINC000584889041 468955962 /nfs/dbraw/zinc/95/59/62/468955962.db2.gz ORRRBBHPYPZNOI-CYBMUJFWSA-N 1 0 327.856 2.448 50 0 EEAARO Nc1nc(C(=O)N2C[C@@H]3C[NH2+]C[C@@]3(CCc3ccccc3)C2)cs1 ZINC001772704576 1179288157 /nfs/dbraw/zinc/28/81/57/1179288157.db2.gz JMIAPRDJNFFJDT-KSSFIOAISA-N 1 0 342.468 2.020 50 0 EEAARO O=C(C1CCCC1)N1CC[C@]2(O)CCN(c3cc[nH+]cc3)C[C@@H]2C1 ZINC000095358578 1215348674 /nfs/dbraw/zinc/34/86/74/1215348674.db2.gz FXYLAQPOEXYFGI-VQIMIIECSA-N 1 0 329.444 2.062 50 0 EEAARO COc1ccc2c(c1)C=C(C[N@@H+]1CC[C@@]3(C1)CCCN(C)C3=O)CO2 ZINC000014969326 1226369424 /nfs/dbraw/zinc/36/94/24/1226369424.db2.gz SBAYFLKSAUTKNR-HXUWFJFHSA-N 1 0 342.439 2.415 50 0 EEAARO O=C(NCC[C@@H]1C[N@@H+](C2Cc3ccccc3C2)CCO1)c1ccco1 ZINC000067833557 1250091167 /nfs/dbraw/zinc/09/11/67/1250091167.db2.gz JLMJNQMCBQATPV-GOSISDBHSA-N 1 0 340.423 2.268 50 0 EEAARO O=C1CCCN1C1CC[NH+](CCc2nc3cc(F)ccc3[nH]2)CC1 ZINC000071524140 1253365637 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C[C@@H](NC(=O)C1CC1)c1nnc2n1CC[N@@H+](CC1CCCCC1)CC2 ZINC000200534882 806833727 /nfs/dbraw/zinc/83/37/27/806833727.db2.gz CNZBHTRYFVSPEE-CQSZACIVSA-N 1 0 345.491 2.304 50 0 EEAARO COc1ccccc1/C=C/C[NH+]1CCC(n2cc(CO)nn2)CC1 ZINC000055107653 214272888 /nfs/dbraw/zinc/27/28/88/214272888.db2.gz ZDKZTQSKXSABBE-GQCTYLIASA-N 1 0 328.416 2.129 50 0 EEAARO CCN(Cc1noc(C)n1)Cc1cccc(OC)c1OCC[NH+](C)C ZINC000055119116 214276428 /nfs/dbraw/zinc/27/64/28/214276428.db2.gz LHBVDTNBTJKCJL-UHFFFAOYSA-N 1 0 348.447 2.349 50 0 EEAARO CC[NH+](CC)CCCNC(=O)CCC(=O)NC1CCCCCC1 ZINC000055308754 214305297 /nfs/dbraw/zinc/30/52/97/214305297.db2.gz GDOJSQFZUJPLFK-UHFFFAOYSA-N 1 0 325.497 2.454 50 0 EEAARO CCCCCCN(CCC(=O)NCC[NH+](C)C)C(=O)c1ccoc1 ZINC000004379006 210183379 /nfs/dbraw/zinc/18/33/79/210183379.db2.gz JDJOKAMCONIHRH-UHFFFAOYSA-N 1 0 337.464 2.370 50 0 EEAARO C[NH+](C)C1(CNc2c(=O)c(=O)c2NCc2ccco2)CCCCC1 ZINC000101698633 219158557 /nfs/dbraw/zinc/15/85/57/219158557.db2.gz SNDFIONYGKPHOM-UHFFFAOYSA-N 1 0 331.416 2.164 50 0 EEAARO CCC[NH+](CCC)CCCNC(=O)C[C@@H]1Nc2ccccc2NC1=O ZINC000003958715 210095282 /nfs/dbraw/zinc/09/52/82/210095282.db2.gz VYQPOWAWLALIAN-KRWDZBQOSA-N 1 0 346.475 2.438 50 0 EEAARO CCC[NH+](CCC)CCCNC(=O)C[C@H]1Nc2ccccc2NC1=O ZINC000003958713 210095386 /nfs/dbraw/zinc/09/53/86/210095386.db2.gz VYQPOWAWLALIAN-QGZVFWFLSA-N 1 0 346.475 2.438 50 0 EEAARO CCCC(=O)N1C[C@H]2[C@H](C[NH+]3CCC(Cc4noc(C)n4)CC3)[C@H]2C1 ZINC000102806227 219232031 /nfs/dbraw/zinc/23/20/31/219232031.db2.gz NKGREMOQZDDBGJ-OSYLJGHBSA-N 1 0 346.475 2.137 50 0 EEAARO CC(C)[NH+]1CCC(C(=O)NCc2cc3ccc(F)cc3[nH]c2=O)CC1 ZINC000067642328 215171797 /nfs/dbraw/zinc/17/17/97/215171797.db2.gz PEOCUQHFIRBQIV-UHFFFAOYSA-N 1 0 345.418 2.404 50 0 EEAARO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCC(N)=O)CCO2 ZINC000067673546 215178227 /nfs/dbraw/zinc/17/82/27/215178227.db2.gz GHUQOTYYPFWBEI-UHFFFAOYSA-N 1 0 326.396 2.437 50 0 EEAARO COc1ccc2[nH]c(=O)c(C[N@H+](C)Cc3cnn(C)c3C)cc2c1 ZINC000067803614 215215286 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CCc1ccc(N2C[C@H](C(=O)NC[C@H]3CCC[N@H+]3CC)CC2=O)cc1 ZINC000034916318 212998634 /nfs/dbraw/zinc/99/86/34/212998634.db2.gz RFYUJJNFOVGWQR-SJLPKXTDSA-N 1 0 343.471 2.202 50 0 EEAARO CCn1c(CC2CC[NH2+]CC2)nn(C/C=C/c2ccccc2)c1=O ZINC000071753508 215809810 /nfs/dbraw/zinc/80/98/10/215809810.db2.gz YDNJIOXRWQWEAC-RMKNXTFCSA-N 1 0 326.444 2.320 50 0 EEAARO Cc1c2cccc(C)c2n(C)c1C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000072120786 216014296 /nfs/dbraw/zinc/01/42/96/216014296.db2.gz HLPISUUEJVOUIW-HXUWFJFHSA-N 1 0 343.471 2.324 50 0 EEAARO C[C@H](Cc1cnccn1)Nc1nc(-c2ccccn2)nc2c1CC[NH2+]C2 ZINC000072144806 216031093 /nfs/dbraw/zinc/03/10/93/216031093.db2.gz ZZRXCQLWQYNUAR-CYBMUJFWSA-N 1 0 347.426 2.017 50 0 EEAARO CNc1nc(N[C@H]2CCC[N@H+](Cc3ccccn3)C2)nc2c1CCC2 ZINC000072408716 216200157 /nfs/dbraw/zinc/20/01/57/216200157.db2.gz DLTCZCGYWVRSIP-HNNXBMFYSA-N 1 0 338.459 2.479 50 0 EEAARO CN(CCC[C@H]1CCCO1)c1nc(NC2CC2)nc2c1CC[NH2+]CC2 ZINC000072435039 216229357 /nfs/dbraw/zinc/22/93/57/216229357.db2.gz 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[NH2+]=C(NCc1ccccc1)NS(=O)(=O)c1ccc(Cl)s1 ZINC000020857109 212177182 /nfs/dbraw/zinc/17/71/82/212177182.db2.gz FULYFBKLDYQCLF-UHFFFAOYSA-N 1 0 329.834 2.404 50 0 EEAARO COC(=O)[C@H]1CCC[N@@H+]([C@H]2CCN(C(=O)OCc3ccccc3)C2)C1 ZINC000255186939 244045232 /nfs/dbraw/zinc/04/52/32/244045232.db2.gz ADBVOZQWEZYFSH-IRXDYDNUSA-N 1 0 346.427 2.283 50 0 EEAARO Nc1n[nH]c(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)n1 ZINC000020405160 212125373 /nfs/dbraw/zinc/12/53/73/212125373.db2.gz CNMBDUACXYYBEO-UHFFFAOYSA-N 1 0 334.427 2.299 50 0 EEAARO CC(C)[N@@H+]1CCN(Cc2cc(F)ccc2-n2cccn2)C[C@@H]1CCO ZINC000020235621 212113628 /nfs/dbraw/zinc/11/36/28/212113628.db2.gz LHSGEUXVJGRPCN-SFHVURJKSA-N 1 0 346.450 2.288 50 0 EEAARO O=C1C[C@H]([NH2+]CCc2ccccn2)C(=O)N1c1ccc(Cl)cc1 ZINC000019848539 212076075 /nfs/dbraw/zinc/07/60/75/212076075.db2.gz YQRBVEOZZOEFME-HNNXBMFYSA-N 1 0 329.787 2.199 50 0 EEAARO CC(C)[NH+]1CCN(C(=O)[C@H]2CCC(=O)N(CC3CCCCC3)C2)CC1 ZINC000019641877 212052845 /nfs/dbraw/zinc/05/28/45/212052845.db2.gz 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C[C@@H](CN1CCOCC1)[NH+]1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000020820975 212173799 /nfs/dbraw/zinc/17/37/99/212173799.db2.gz OZFBPFWGZCOPFV-INIZCTEOSA-N 1 0 347.507 2.293 50 0 EEAARO CCc1nnc(CN2CCC[N@@H+](C3Cc4ccccc4C3)CC2)[nH]1 ZINC000244742204 243072820 /nfs/dbraw/zinc/07/28/20/243072820.db2.gz ODOVVUYTUXBPBP-UHFFFAOYSA-N 1 0 325.460 2.042 50 0 EEAARO CN(Cc1nnc([C@H]2C[C@H]([NH3+])C2)n1C)Cc1cccc2cnccc21 ZINC000244741906 243072981 /nfs/dbraw/zinc/07/29/81/243072981.db2.gz NYSHXWYZYJPYDK-WKILWMFISA-N 1 0 336.443 2.200 50 0 EEAARO CCOc1cc(CNCC[NH2+]C[C@H](C)O)cc(Cl)c1OCC ZINC000020175634 212109465 /nfs/dbraw/zinc/10/94/65/212109465.db2.gz JLYGXLAULXYHEN-LBPRGKRZSA-N 1 0 330.856 2.197 50 0 EEAARO CSc1ncc(CN2CC[N@H+](CCC(C)C)[C@@H](CCO)C2)cn1 ZINC000019745232 212060306 /nfs/dbraw/zinc/06/03/06/212060306.db2.gz KRGVSBWMMUEUNW-INIZCTEOSA-N 1 0 338.521 2.113 50 0 EEAARO CC(C)(C)[NH2+][C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000019731999 212058874 /nfs/dbraw/zinc/05/88/74/212058874.db2.gz RSPQJXUORQQYDD-LLVKDONJSA-N 1 0 325.206 2.469 50 0 EEAARO O=C(c1ccc2c(c1)OCO2)N1CCCSC[C@@H]1C[NH+]1CCCC1 ZINC000079669209 217247764 /nfs/dbraw/zinc/24/77/64/217247764.db2.gz HWVRNWZMUKTUKI-HNNXBMFYSA-N 1 0 348.468 2.459 50 0 EEAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(Cc3ccccc3F)C2=O)o1 ZINC000012458402 211388164 /nfs/dbraw/zinc/38/81/64/211388164.db2.gz MZLSXSIXSKTIGT-LJQANCHMSA-N 1 0 346.402 2.370 50 0 EEAARO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)nn1C ZINC000012454303 211387305 /nfs/dbraw/zinc/38/73/05/211387305.db2.gz UQUAHBYWDBWTJB-QGZVFWFLSA-N 1 0 338.455 2.090 50 0 EEAARO CSCC[NH2+]Cc1c(C(=O)N(C)C)nc2ccc(Cl)cn21 ZINC000012317359 211344281 /nfs/dbraw/zinc/34/42/81/211344281.db2.gz CWACGAGOABNZEP-UHFFFAOYSA-N 1 0 326.853 2.142 50 0 EEAARO O=C(N[C@H]1CCC[N@H+](CCCc2ccccc2)C1)c1cc[n+]([O-])cc1 ZINC000012303521 211338539 /nfs/dbraw/zinc/33/85/39/211338539.db2.gz PZQSWDQGQPDQBV-IBGZPJMESA-N 1 0 339.439 2.147 50 0 EEAARO [NH3+][C@H](C(=O)N1CCN(c2ccccc2Cl)C(=O)C1)C1CCCCC1 ZINC000091551746 218021341 /nfs/dbraw/zinc/02/13/41/218021341.db2.gz NJPTYZYECAYNDQ-KRWDZBQOSA-N 1 0 349.862 2.423 50 0 EEAARO O=c1cc(C[NH2+][C@H]2CCOC3(CCOCC3)C2)[nH]c2ccc(F)cc12 ZINC000091574412 218023455 /nfs/dbraw/zinc/02/34/55/218023455.db2.gz OHNCBHJEKIQSIW-AWEZNQCLSA-N 1 0 346.402 2.485 50 0 EEAARO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)cc1O ZINC000091596118 218029785 /nfs/dbraw/zinc/02/97/85/218029785.db2.gz JFRCKEYLTVJQRR-SJLPKXTDSA-N 1 0 346.471 2.476 50 0 EEAARO Cc1c(C[NH+]2C[C@@H]3CC[N@@H+](C)C[C@]3(C(=O)[O-])C2)[nH]c2ccc(F)cc12 ZINC000091645807 218039021 /nfs/dbraw/zinc/03/90/21/218039021.db2.gz ZTLWTADNJBGIBY-DJJJIMSYSA-N 1 0 345.418 2.454 50 0 EEAARO CC(=O)c1ccc(C(=O)N2CC[C@H]([NH+](C)C)[C@H](CCCO)C2)cc1 ZINC000091792952 218066987 /nfs/dbraw/zinc/06/69/87/218066987.db2.gz SWOHLJXKQANPTG-MSOLQXFVSA-N 1 0 332.444 2.054 50 0 EEAARO CC(=O)N1C[C@H](NC(=O)CC2CC(C)(C)[NH2+]C(C)(C)C2)[C@@H](C2CC2)C1 ZINC000091877167 218083347 /nfs/dbraw/zinc/08/33/47/218083347.db2.gz RLMNHWYFIXUADR-SJORKVTESA-N 1 0 349.519 2.306 50 0 EEAARO Cc1nccn1CC[N@@H+]1CC[C@@]2(C1)CCCN(CC1CCC1)C2=O ZINC000091952276 218094230 /nfs/dbraw/zinc/09/42/30/218094230.db2.gz OJCFRYHNGMUEEE-LJQANCHMSA-N 1 0 330.476 2.306 50 0 EEAARO COc1ccc(S(=O)(=O)NCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000010544042 211180587 /nfs/dbraw/zinc/18/05/87/211180587.db2.gz WSCICDQRZAVBDW-HUUCEWRRSA-N 1 0 340.489 2.342 50 0 EEAARO CN(C)c1nc(CNC(=O)C2CC[NH+](Cc3ccco3)CC2)cs1 ZINC000095359933 218292687 /nfs/dbraw/zinc/29/26/87/218292687.db2.gz SXLSKVAZIKWAKG-UHFFFAOYSA-N 1 0 348.472 2.331 50 0 EEAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2cccnc2)CC1 ZINC000095355990 218289175 /nfs/dbraw/zinc/28/91/75/218289175.db2.gz JOIVBISZVKIHQI-UHFFFAOYSA-N 1 0 341.459 2.250 50 0 EEAARO Cc1cccnc1NCCNC(=O)C1CC[NH+](Cc2ccco2)CC1 ZINC000095379366 218311960 /nfs/dbraw/zinc/31/19/60/218311960.db2.gz PDUWHJMHXXPYPY-UHFFFAOYSA-N 1 0 342.443 2.423 50 0 EEAARO CCOC(=O)N1CCN(C(=O)c2ccc([C@H]3CCC[NH2+]C3)cc2)CC1 ZINC000095385232 218316670 /nfs/dbraw/zinc/31/66/70/218316670.db2.gz GMIPEZNGONFNHO-KRWDZBQOSA-N 1 0 345.443 2.068 50 0 EEAARO Cc1nc(C)n(CCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000299777394 258087303 /nfs/dbraw/zinc/08/73/03/258087303.db2.gz DOCQEBXDXZNJHK-SFHVURJKSA-N 1 0 341.459 2.066 50 0 EEAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@]2(OC)CC[C@H](O)C[C@H]12 ZINC000299797209 258101228 /nfs/dbraw/zinc/10/12/28/258101228.db2.gz PEOXMTSVGCUCQJ-HZUKXOBISA-N 1 0 327.856 2.140 50 0 EEAARO CC(C)(CC(=O)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1)c1ccccc1 ZINC000299798861 258102461 /nfs/dbraw/zinc/10/24/61/258102461.db2.gz RTMMRZINVMKNIF-ROUUACIJSA-N 1 0 330.472 2.412 50 0 EEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2ccc(-n3ccnc3)cc2)N1 ZINC000007128231 258052600 /nfs/dbraw/zinc/05/26/00/258052600.db2.gz GPEVYNMDFIMTQX-MRXNPFEDSA-N 1 0 329.367 2.318 50 0 EEAARO O=C(NCCC[N@H+]1CCC[C@H](O)C1)c1ccc(Cn2cccc2)cc1 ZINC000299757595 258075270 /nfs/dbraw/zinc/07/52/70/258075270.db2.gz KVYVGUYEWFSMPR-IBGZPJMESA-N 1 0 341.455 2.113 50 0 EEAARO CC(C)C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1cccn2cnnc12 ZINC000299758885 258076748 /nfs/dbraw/zinc/07/67/48/258076748.db2.gz LHWNUFUUANUXFX-OAHLLOKOSA-N 1 0 329.448 2.360 50 0 EEAARO Cc1ccccc1C[N@@H+]1CC[C@H](CNC(=O)CCCn2cncn2)C1 ZINC000299761822 258078793 /nfs/dbraw/zinc/07/87/93/258078793.db2.gz ZFNQUVAPQNDEIN-QGZVFWFLSA-N 1 0 341.459 2.005 50 0 EEAARO c1cc(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)n(-c2nccs2)c1 ZINC000015067907 135706663 /nfs/dbraw/zinc/70/66/63/135706663.db2.gz UWFWTRVJEYGPGC-CQSZACIVSA-N 1 0 340.456 2.482 50 0 EEAARO CCOC(=O)N1CCC([NH2+][C@H]2CCCc3nc(N(C)C)ncc32)CC1 ZINC000015063894 276282116 /nfs/dbraw/zinc/28/21/16/276282116.db2.gz OGEXOJQXDXJUBJ-HNNXBMFYSA-N 1 0 347.463 2.131 50 0 EEAARO CN1CC[NH+](C[C@@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019338599 277106951 /nfs/dbraw/zinc/10/69/51/277106951.db2.gz DNEUNQHNKDREAR-WFRNDULYSA-N 1 0 336.520 2.218 50 0 EEAARO CC[N@@H+]1CCC[C@@H](C(=O)N2CCC3(CCC(=O)N(C4CC4)C3)CC2)C1 ZINC000091604656 279292205 /nfs/dbraw/zinc/29/22/05/279292205.db2.gz NNODYYGKQWKTBA-MRXNPFEDSA-N 1 0 347.503 2.112 50 0 EEAARO O=c1c(Cl)c(N2CC[NH2+]CC2)cnn1C12CC3CC(CC(C3)C1)C2 ZINC000004498457 304815629 /nfs/dbraw/zinc/81/56/29/304815629.db2.gz NRHSBAOXHQSWIN-UHFFFAOYSA-N 1 0 348.878 2.232 50 0 EEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)OCO4)cc2)CC1 ZINC000000587095 462570901 /nfs/dbraw/zinc/57/09/01/462570901.db2.gz RMRZEGSVZVXWGV-UHFFFAOYSA-N 1 0 339.395 2.419 50 0 EEAARO CC[NH+]1CCN(c2ncnc3c2cnn3-c2ccc(F)cc2)CC1 ZINC000004354623 462632087 /nfs/dbraw/zinc/63/20/87/462632087.db2.gz QIOHEDOKUHHKRD-UHFFFAOYSA-N 1 0 326.379 2.097 50 0 EEAARO Cc1nc(N2CC[NH+](C)CC2)[nH]c(=O)c1Cc1ccc(Cl)cc1 ZINC000006300090 462681699 /nfs/dbraw/zinc/68/16/99/462681699.db2.gz UWFYZPKTHOGWDO-UHFFFAOYSA-N 1 0 332.835 2.074 50 0 EEAARO CC[NH+]1CCN(c2nc(C)c(Cc3ccccc3Cl)c(=O)[nH]2)CC1 ZINC000009165970 462798641 /nfs/dbraw/zinc/79/86/41/462798641.db2.gz RNKRMPSJTPAUEI-UHFFFAOYSA-N 1 0 346.862 2.464 50 0 EEAARO CC[NH+]1CCN(c2nc3nccnc3c(Nc3ccccc3)n2)CC1 ZINC000009075150 462799147 /nfs/dbraw/zinc/79/91/47/462799147.db2.gz AZQMFMMFMUZZJO-UHFFFAOYSA-N 1 0 335.415 2.305 50 0 EEAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(=O)[nH]c3)cc2C)CC1 ZINC000011323951 462830536 /nfs/dbraw/zinc/83/05/36/462830536.db2.gz PUJFTRSDAHSNAE-UHFFFAOYSA-N 1 0 340.427 2.490 50 0 EEAARO Cc1ccc([C@H]2CN(C(=O)CCc3ccc4c(c3)OCO4)C[C@@H]2[NH3+])o1 ZINC000091304620 462871625 /nfs/dbraw/zinc/87/16/25/462871625.db2.gz DFJXMXDDLBHNEZ-GJZGRUSLSA-N 1 0 342.395 2.203 50 0 EEAARO COc1ccc([C@H](CNC(=O)Cc2c(C)noc2C)[NH+](C)C)cc1 ZINC000014165031 462915088 /nfs/dbraw/zinc/91/50/88/462915088.db2.gz TWLSEKLUCXKSCZ-KRWDZBQOSA-N 1 0 331.416 2.262 50 0 EEAARO CN(Cc1csc(-c2cccs2)n1)C(=O)[C@@H]([NH3+])Cc1cnc[nH]1 ZINC000077284640 462963080 /nfs/dbraw/zinc/96/30/80/462963080.db2.gz JJKSBVDOWUQPAO-LBPRGKRZSA-N 1 0 347.469 2.123 50 0 EEAARO COc1ccc(OC[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)cc1 ZINC000077458239 462988637 /nfs/dbraw/zinc/98/86/37/462988637.db2.gz MRFPHKQUPPIVPZ-INIZCTEOSA-N 1 0 332.444 2.408 50 0 EEAARO O=C(C[C@H]1C[NH2+]CCO1)N1CCC(Oc2ccccc2Cl)CC1 ZINC000077554994 463004932 /nfs/dbraw/zinc/00/49/32/463004932.db2.gz MTWGKTNFOOHGFC-AWEZNQCLSA-N 1 0 338.835 2.088 50 0 EEAARO C/C=C/CC(=O)NC[C@H]1CC[N@H+](Cc2ccc3c(c2)OCCO3)C1 ZINC000067724279 463043744 /nfs/dbraw/zinc/04/37/44/463043744.db2.gz IPODJDWDSIASDS-WOMSROEHSA-N 1 0 330.428 2.362 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(-c2ccccc2OC)n[nH]1 ZINC000095480291 463093382 /nfs/dbraw/zinc/09/33/82/463093382.db2.gz LVHVUOWHLOTTAT-CYBMUJFWSA-N 1 0 328.416 2.299 50 0 EEAARO Cc1cc(C(=O)N2CCC[C@@H](c3nccn3CCC[NH+](C)C)C2)on1 ZINC000095526281 463104283 /nfs/dbraw/zinc/10/42/83/463104283.db2.gz SKMBMIIKRGRJFN-OAHLLOKOSA-N 1 0 345.447 2.151 50 0 EEAARO O=C(CO)N(Cc1cccnc1)C[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095528098 463105866 /nfs/dbraw/zinc/10/58/66/463105866.db2.gz IQIQFJXCUDXALL-GOSISDBHSA-N 1 0 345.487 2.447 50 0 EEAARO Cc1csc(=O)n1CCCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000025421276 463124969 /nfs/dbraw/zinc/12/49/69/463124969.db2.gz XTMDUQYKYCQCCJ-INIZCTEOSA-N 1 0 347.484 2.418 50 0 EEAARO Cn1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1=O ZINC000028485060 463226478 /nfs/dbraw/zinc/22/64/78/463226478.db2.gz FDTTXPYDIIGOOE-UHFFFAOYSA-N 1 0 339.439 2.301 50 0 EEAARO CCc1nnsc1C(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000030057290 463286228 /nfs/dbraw/zinc/28/62/28/463286228.db2.gz GSOXPBJZDPAKHO-UHFFFAOYSA-N 1 0 330.457 2.495 50 0 EEAARO O=C([C@@H]1Cc2ccccc2S1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000030881378 463315679 /nfs/dbraw/zinc/31/56/79/463315679.db2.gz HLWMGUXSUUUMJQ-KRWDZBQOSA-N 1 0 325.437 2.447 50 0 EEAARO CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000032853365 463398555 /nfs/dbraw/zinc/39/85/55/463398555.db2.gz FTHCZXKAEXOKTO-JKSUJKDBSA-N 1 0 331.460 2.498 50 0 EEAARO CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071575510 463418179 /nfs/dbraw/zinc/41/81/79/463418179.db2.gz DFLSWJZCXNBISJ-GOSISDBHSA-N 1 0 344.503 2.236 50 0 EEAARO COc1ccc(CCCC(=O)NCc2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000082087545 463513016 /nfs/dbraw/zinc/51/30/16/463513016.db2.gz IHENIOXMFHHNKT-UHFFFAOYSA-N 1 0 342.443 2.024 50 0 EEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1ccn(C(F)F)n1 ZINC000082137714 463518202 /nfs/dbraw/zinc/51/82/02/463518202.db2.gz LORGLBBIOHGUIP-AWEZNQCLSA-N 1 0 334.370 2.407 50 0 EEAARO CCC[C@@H]1CN(C(=O)c2cc(-c3cccn3C)n[nH]2)C[C@H]1[NH+](C)C ZINC000082136827 463518724 /nfs/dbraw/zinc/51/87/24/463518724.db2.gz ZZKOBRKDWAKSOR-CXAGYDPISA-N 1 0 329.448 2.218 50 0 EEAARO CC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1cn2c(n1)nc(C)cc2C ZINC000106788946 463536991 /nfs/dbraw/zinc/53/69/91/463536991.db2.gz HMDWCINKEZFCSC-ZWKOTPCHSA-N 1 0 341.459 2.321 50 0 EEAARO CO[C@H](C(=O)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000106869969 463544663 /nfs/dbraw/zinc/54/46/63/463544663.db2.gz NSLGZSAQUASZDY-MOPGFXCFSA-N 1 0 345.487 2.003 50 0 EEAARO C[NH+](C)[C@@H](CNc1cc(N2CCC[C@H]2CO)ncn1)c1ccccc1 ZINC000106905781 463549134 /nfs/dbraw/zinc/54/91/34/463549134.db2.gz ARNMYTIRGVSSJQ-IRXDYDNUSA-N 1 0 341.459 2.153 50 0 EEAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)C(=O)N(C)Cc1ccccc1 ZINC000107504727 463572463 /nfs/dbraw/zinc/57/24/63/463572463.db2.gz FUSPJGOWYLLYCN-LZQZEXGQSA-N 1 0 345.487 2.270 50 0 EEAARO CC[C@@H]1CN(C(C)=O)CC[C@H]1[NH2+][C@H](C)C(=O)NCc1ccccc1C ZINC000107504765 463572601 /nfs/dbraw/zinc/57/26/01/463572601.db2.gz KIRLBFDTSODZRR-SZVBFZGTSA-N 1 0 345.487 2.236 50 0 EEAARO C[N@@H+]1CCN(Cc2c(F)cccc2Cl)C[C@@]12CCNC(=O)CC2 ZINC000107660857 463577854 /nfs/dbraw/zinc/57/78/54/463577854.db2.gz QFFLCEJKPWIBDB-QGZVFWFLSA-N 1 0 339.842 2.265 50 0 EEAARO Cc1cncc(C(=O)N[C@H]2C[N@H+](Cc3ccccc3)CC[C@H]2CO)c1 ZINC000108143399 463591699 /nfs/dbraw/zinc/59/16/99/463591699.db2.gz JJTFGGYFWKXCKO-HKUYNNGSSA-N 1 0 339.439 2.003 50 0 EEAARO C[C@H]([NH3+])[C@H]1CCCN(S(=O)(=O)c2ccccc2C(F)(F)F)C1 ZINC000109040327 463631181 /nfs/dbraw/zinc/63/11/81/463631181.db2.gz KDZUSEYYCPQEMA-QWRGUYRKSA-N 1 0 336.379 2.453 50 0 EEAARO O=C(NCC(F)(F)F)[C@@H]1CCC[N@@H+]([C@@H]2Cc3ccccc3[C@@H]2O)C1 ZINC000110707685 463662955 /nfs/dbraw/zinc/66/29/55/463662955.db2.gz XXDHPRGLPMWQDC-YUELXQCFSA-N 1 0 342.361 2.035 50 0 EEAARO O=c1[nH]c(CCN2CCC([NH2+]C3CCCC3)CC2)nc2ccccc21 ZINC000111299901 463677027 /nfs/dbraw/zinc/67/70/27/463677027.db2.gz MSVXGFDRXVYZED-UHFFFAOYSA-N 1 0 340.471 2.462 50 0 EEAARO Cc1ccn2c(F)c(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)nc2c1 ZINC000216256927 464106941 /nfs/dbraw/zinc/10/69/41/464106941.db2.gz SBDLSNNSJXQDMH-ZDUSSCGKSA-N 1 0 330.407 2.481 50 0 EEAARO Cc1ccc(CN2CCC3(CC2)C(=O)NCCC[N@H+]3C)c(F)c1F ZINC000215934896 464107021 /nfs/dbraw/zinc/10/70/21/464107021.db2.gz ANQGKVQWKHFYOU-UHFFFAOYSA-N 1 0 337.414 2.060 50 0 EEAARO COc1ccc(-n2cc([C@@H](C)NC(=O)C[NH+]3CCCC3)cn2)cc1 ZINC000220251648 464115460 /nfs/dbraw/zinc/11/54/60/464115460.db2.gz GDFIIOPXYCUPEW-CQSZACIVSA-N 1 0 328.416 2.154 50 0 EEAARO Cc1sc2ccccc2c1C[NH+]1CCN(CCOCCO)CC1 ZINC000223276585 464138698 /nfs/dbraw/zinc/13/86/98/464138698.db2.gz NNBRRKKYMYBOMH-UHFFFAOYSA-N 1 0 334.485 2.336 50 0 EEAARO CN(CC[NH+]1CCCCCC1)Cc1cnc(NC[C@H]2CCCO2)nc1 ZINC000230481209 464204371 /nfs/dbraw/zinc/20/43/71/464204371.db2.gz XVPXNSCAORUGOQ-GOSISDBHSA-N 1 0 347.507 2.375 50 0 EEAARO CC[N@H+](Cc1ccc2c3c1cccc3C(=O)OC2)[C@H]1COC[C@@H]1O ZINC000244723999 464461692 /nfs/dbraw/zinc/46/16/92/464461692.db2.gz MLVSVRALBQFTPS-IRXDYDNUSA-N 1 0 327.380 2.092 50 0 EEAARO [NH3+][C@H]1C[C@H](c2cc(NCCNC(=O)c3ccccc3Cl)ncn2)C1 ZINC000244899563 464465261 /nfs/dbraw/zinc/46/52/61/464465261.db2.gz ZLYKCGSYELQGAO-HAQNSBGRSA-N 1 0 345.834 2.177 50 0 EEAARO O[C@]12CCCC[C@H]1C[N@H+](CCN1CCN(c3ccccc3)CC1)CC2 ZINC000244894046 464465317 /nfs/dbraw/zinc/46/53/17/464465317.db2.gz YYWXVTRFXCEZAZ-FPOVZHCZSA-N 1 0 343.515 2.436 50 0 EEAARO O=C(CC[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1)Nc1nnc(C2CC2)s1 ZINC000252482909 464962221 /nfs/dbraw/zinc/96/22/21/464962221.db2.gz DQCROOWQNDHZHL-GFCCVEGCSA-N 1 0 346.460 2.347 50 0 EEAARO CC(C)=CC[NH+]1CCC2(CC[C@@H](CNC(=O)c3ccon3)O2)CC1 ZINC000299763797 465883976 /nfs/dbraw/zinc/88/39/76/465883976.db2.gz DHADMRRCXVMFNR-HNNXBMFYSA-N 1 0 333.432 2.384 50 0 EEAARO CC(C)[C@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1nccn1C ZINC000534589075 468267409 /nfs/dbraw/zinc/26/74/09/468267409.db2.gz ICSMFWGJBKNRMQ-INIZCTEOSA-N 1 0 333.480 2.387 50 0 EEAARO Cn1c(C[NH2+][C@H]2CCNC(=O)CC2)nc2cc(C(F)(F)F)ccc21 ZINC000584893433 468957754 /nfs/dbraw/zinc/95/77/54/468957754.db2.gz BZKDMAZVCUQYTD-LLVKDONJSA-N 1 0 340.349 2.350 50 0 EEAARO C[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)Cc1n[nH]c2ccccc12 ZINC000584892465 468957879 /nfs/dbraw/zinc/95/78/79/468957879.db2.gz RSKRQKGQRDQYPM-INIZCTEOSA-N 1 0 334.423 2.278 50 0 EEAARO CNc1nc(C)ccc1C(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000585134207 468984977 /nfs/dbraw/zinc/98/49/77/468984977.db2.gz IBBUCEONBFXTDC-UHFFFAOYSA-N 1 0 334.464 2.051 50 0 EEAARO Cc1ccc([C@H](CNC(=O)N(C)CCn2ccnc2)[NH+](C)C)cc1 ZINC000534634158 485548640 /nfs/dbraw/zinc/54/86/40/485548640.db2.gz AWFOVZMORVSWDR-KRWDZBQOSA-N 1 0 329.448 2.136 50 0 EEAARO O=C(N[C@@H]1C[NH2+]C[C@H]1O)c1ccccc1SCc1ccc(F)cc1 ZINC000534634025 485549247 /nfs/dbraw/zinc/54/92/47/485549247.db2.gz YJVPXGRKGDQHLK-HZPDHXFCSA-N 1 0 346.427 2.181 50 0 EEAARO CC[NH+]1CCN(c2ccc(C(=O)OC)cc2NC(=O)C(C)C)CC1 ZINC000004711699 500689030 /nfs/dbraw/zinc/68/90/30/500689030.db2.gz FHDOVCISFQSTID-UHFFFAOYSA-N 1 0 333.432 2.210 50 0 EEAARO COCc1nc(NCc2cnn3ccccc23)cc([C@H]2C[C@H]([NH3+])C2)n1 ZINC000244866355 523213708 /nfs/dbraw/zinc/21/37/08/523213708.db2.gz VUOLPXXQYNICHI-MQMHXKEQSA-N 1 0 338.415 2.088 50 0 EEAARO CCOc1ccccc1NC(=O)CC[N@@H+]1CCn2nc(C)cc2C1 ZINC000243893524 535519744 /nfs/dbraw/zinc/51/97/44/535519744.db2.gz AROHETDLULXHJF-UHFFFAOYSA-N 1 0 328.416 2.435 50 0 EEAARO COc1ccccc1CCCNc1cc([C@H]2C[C@@H]([NH3+])C2)nc(N)n1 ZINC000218941432 537030937 /nfs/dbraw/zinc/03/09/37/537030937.db2.gz HHZZMMCZKCISSR-HDJSIYSDSA-N 1 0 327.432 2.317 50 0 EEAARO OCC[C@H]1CN(Cc2ccon2)CC[N@@H+]1CCCc1ccccc1 ZINC000020600581 683575391 /nfs/dbraw/zinc/57/53/91/683575391.db2.gz UGLGUQMGPPKQKL-IBGZPJMESA-N 1 0 329.444 2.176 50 0 EEAARO Cc1ccccc1C[N@@H+]1CCN(Cc2cccnc2)C[C@H]1CCO ZINC000104516274 687950664 /nfs/dbraw/zinc/95/06/64/687950664.db2.gz LXFFGRWDJKWQMA-HXUWFJFHSA-N 1 0 325.456 2.459 50 0 EEAARO CCc1ccccc1OCC[N@@H+]1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC001772708193 1179295576 /nfs/dbraw/zinc/29/55/76/1179295576.db2.gz FMIRPZQIACVSHQ-GOSISDBHSA-N 1 0 346.471 2.199 50 0 EEAARO CO[C@H]1C[C@@H](O)C12CC[NH+](Cc1cc3c(cc1C)OCCO3)CC2 ZINC000091305383 1213653782 /nfs/dbraw/zinc/65/37/82/1213653782.db2.gz ZPIZNTWSZFXHGJ-MSOLQXFVSA-N 1 0 333.428 2.128 50 0 EEAARO CN(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cn1 ZINC000091586255 1213885163 /nfs/dbraw/zinc/88/51/63/1213885163.db2.gz QXTVCZHMBFIAPG-FQEVSTJZSA-N 1 0 342.487 2.372 50 0 EEAARO CN1CCC([N@@H+]2CCC[C@H](C(=O)NCc3ccc(F)cc3)C2)CC1 ZINC000015062273 1226501425 /nfs/dbraw/zinc/50/14/25/1226501425.db2.gz BDFQPQRQOLZGMR-INIZCTEOSA-N 1 0 333.451 2.248 50 0 EEAARO COc1cccc2c1OC[C@@H]([NH2+]Cc1ccc(-n3cncn3)cc1)C2 ZINC000020204910 1229483602 /nfs/dbraw/zinc/48/36/02/1229483602.db2.gz PRCNOYPGYFZRPO-INIZCTEOSA-N 1 0 336.395 2.369 50 0 EEAARO C[NH+]1CCC(n2ccnc2-c2cc(Cl)ccc2OCC(N)=O)CC1 ZINC000071662172 1253366899 /nfs/dbraw/zinc/36/68/99/1253366899.db2.gz CNCSJRKPSZUUSU-UHFFFAOYSA-N 1 0 348.834 2.334 50 0 EEAARO CCCOc1ccc(CN2C[C@@H]3CCCN3C(=O)[C@H]2C)cc1CO ZINC001772809559 1410369955 /nfs/dbraw/zinc/36/99/55/1410369955.db2.gz AFOUDKSFONOJNV-PBHICJAKSA-N 1 0 332.444 2.163 50 0 EEAARO Cc1nc(-c2ccc(NC(=O)CC[C@H](C)[NH+]3CCOCC3)cc2)n[nH]1 ZINC000952965388 796085578 /nfs/dbraw/zinc/08/55/78/796085578.db2.gz PAWGMJUOEVINAV-ZDUSSCGKSA-N 1 0 343.431 2.220 50 0 EEAARO O=C(NC[C@H](CO)Cc1ccco1)c1ccc(C[NH+]2CCCC2)o1 ZINC000952973844 796117220 /nfs/dbraw/zinc/11/72/20/796117220.db2.gz HWUSPQWUFDMRCH-CQSZACIVSA-N 1 0 332.400 2.049 50 0 EEAARO COc1cc(Cl)cc(C[NH2+]CCN2CCCC[C@H]2CO)c1OC ZINC000952975211 796117914 /nfs/dbraw/zinc/11/79/14/796117914.db2.gz 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798694818 /nfs/dbraw/zinc/69/48/18/798694818.db2.gz VZSRZTSVBPOGNK-UHFFFAOYSA-N 1 0 339.365 2.424 50 0 EEAARO CC[N@@H+]1CCC[C@H](C(=O)Nc2cc(NC(=O)COC)ccc2C)C1 ZINC000824313385 800260814 /nfs/dbraw/zinc/26/08/14/800260814.db2.gz QJDKUNCBDLRAOQ-AWEZNQCLSA-N 1 0 333.432 2.250 50 0 EEAARO Cc1cc(N2CCC[N@@H+](C3CCCC3)CC2)nc(N2CCOCC2)n1 ZINC001506397314 1114595469 /nfs/dbraw/zinc/59/54/69/1114595469.db2.gz UAINXPJDGMDZLE-UHFFFAOYSA-N 1 0 345.491 2.076 50 0 EEAARO Cc1nn(C)c(C)c1C[N@@H+](CC[C@H]1CCS(=O)(=O)C1)C(C)C ZINC001506401460 1114596424 /nfs/dbraw/zinc/59/64/24/1114596424.db2.gz DXORFKQBMQOANX-HNNXBMFYSA-N 1 0 327.494 2.072 50 0 EEAARO Cc1n[nH]c(C)c1CCCN(C)c1cc(C)[nH+]c(N2CCOCC2)n1 ZINC001529120328 1121325041 /nfs/dbraw/zinc/32/50/41/1121325041.db2.gz XBGSRHPWNFEZCK-UHFFFAOYSA-N 1 0 344.463 2.031 50 0 EEAARO COc1ccc2cc([C@H](C)NC(=O)C3(O)CC[NH+](C)CC3)ccc2c1 ZINC000097732757 219052761 /nfs/dbraw/zinc/05/27/61/219052761.db2.gz SQOMIYIXBIDDDP-AWEZNQCLSA-N 1 0 342.439 2.482 50 0 EEAARO CCOC(=O)N1CCC(NC(=O)CC[NH+]2CCCCCCC2)CC1 ZINC000055370454 214312264 /nfs/dbraw/zinc/31/22/64/214312264.db2.gz NYPMLMHNPWTXDT-UHFFFAOYSA-N 1 0 339.480 2.380 50 0 EEAARO COc1ccc2[nH]c(=O)c(C[N@H+](C)Cc3cn(C)nc3C)cc2c1 ZINC000067458916 215148391 /nfs/dbraw/zinc/14/83/91/215148391.db2.gz ZMBXUOAPYPGJLN-UHFFFAOYSA-N 1 0 326.400 2.211 50 0 EEAARO CCn1c(=O)n(Cc2cccc3cccnc32)nc1[C@@H]1CCC[NH2+]C1 ZINC000067673647 215179658 /nfs/dbraw/zinc/17/96/58/215179658.db2.gz YUTROWVEWPIYLH-OAHLLOKOSA-N 1 0 337.427 2.128 50 0 EEAARO COc1cc2c(cc1C[N@@H+]1CCC[C@@H](CNC(C)=O)C1)OCCCO2 ZINC000067676128 215182574 /nfs/dbraw/zinc/18/25/74/215182574.db2.gz UYOPNLZSMLADAH-HNNXBMFYSA-N 1 0 348.443 2.205 50 0 EEAARO CCNC(=O)NC[C@@H]1CCC[N@H+](Cc2coc3ccccc3c2=O)C1 ZINC000067695859 215189250 /nfs/dbraw/zinc/18/92/50/215189250.db2.gz UJXHKEWGTDJGGQ-AWEZNQCLSA-N 1 0 343.427 2.324 50 0 EEAARO CC(C)(C[N@@H+]1CCC[C@H](C(=O)c2ccccn2)C1)N1CCOCC1 ZINC000067692234 215188228 /nfs/dbraw/zinc/18/82/28/215188228.db2.gz 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ZINC000067946303 215256290 /nfs/dbraw/zinc/25/62/90/215256290.db2.gz DCHYVOBRDABNBU-LLVKDONJSA-N 1 0 333.338 2.378 50 0 EEAARO CC(C)CC[C@@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cccnc2)C1=O ZINC000067975052 215264617 /nfs/dbraw/zinc/26/46/17/215264617.db2.gz YNULWICAOATCIG-IBGZPJMESA-N 1 0 344.459 2.308 50 0 EEAARO C[C@@H](CCC(=O)NCCc1nc2ccccc2n1C)[NH+]1CCCC1 ZINC000219864282 295845716 /nfs/dbraw/zinc/84/57/16/295845716.db2.gz FXKGIIJBHZETAO-HNNXBMFYSA-N 1 0 328.460 2.497 50 0 EEAARO Cc1nc2sccn2c1CN1CC[N@@H+](CC(C)C)[C@H](CCO)C1 ZINC000039430620 213236605 /nfs/dbraw/zinc/23/66/05/213236605.db2.gz GISXTPNQFUXGMV-OAHLLOKOSA-N 1 0 336.505 2.229 50 0 EEAARO COc1cccc(C[N@H+](C[C@H](O)COC(C)C)C[C@@H]2CCCO2)c1 ZINC000036100270 213067359 /nfs/dbraw/zinc/06/73/59/213067359.db2.gz SEOLLVJHAQQIDD-HKUYNNGSSA-N 1 0 337.460 2.462 50 0 EEAARO O=C(Cn1nc2ccccc2n1)N[C@H]1CC[C@H]1[NH2+]C1CCCCC1 ZINC000072133243 216022607 /nfs/dbraw/zinc/02/26/07/216022607.db2.gz BBMANMZAESFECQ-CABCVRRESA-N 1 0 327.432 2.001 50 0 EEAARO CC[C@H](NC(=O)C1([NH+](C)C)Cc2ccccc2C1)c1ccnn1C ZINC000072146903 216033324 /nfs/dbraw/zinc/03/33/24/216033324.db2.gz VCWOBDWBDYXQSC-INIZCTEOSA-N 1 0 326.444 2.087 50 0 EEAARO c1nc2ncnc(N3C[C@H](c4ccccc4)[C@@H]4[C@H]3C3CC[NH+]4CC3)c2[nH]1 ZINC000072156114 216045572 /nfs/dbraw/zinc/04/55/72/216045572.db2.gz UWDGSWGRRFTGFV-KBAYOESNSA-N 1 0 346.438 2.420 50 0 EEAARO CC(C)c1cc(N(C)CCCC[NH+]2CCOCC2)n2nccc2n1 ZINC000072168049 216058844 /nfs/dbraw/zinc/05/88/44/216058844.db2.gz MPHORTREWBZMND-UHFFFAOYSA-N 1 0 331.464 2.401 50 0 EEAARO CC(C)Cc1cc(Cn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)no1 ZINC000072408616 216200177 /nfs/dbraw/zinc/20/01/77/216200177.db2.gz CVDWJXXFZZCPAY-UHFFFAOYSA-N 1 0 340.431 2.475 50 0 EEAARO CCc1cc(NCCC[N@@H+]2CCC[C@H](CO)C2)n2nc(C)c(C)c2n1 ZINC000072419179 216207562 /nfs/dbraw/zinc/20/75/62/216207562.db2.gz QOEVSYQENIMIJI-INIZCTEOSA-N 1 0 345.491 2.415 50 0 EEAARO O=C1OC2(CN1CCOc1ccccc1)CC[NH+]([C@@H]1CCOC1)CC2 ZINC000072421875 216210766 /nfs/dbraw/zinc/21/07/66/216210766.db2.gz KFPCZQOISADMTG-MRXNPFEDSA-N 1 0 346.427 2.141 50 0 EEAARO Cc1ncc2c(c1CNC(=O)c1cnn(-c3ccccc3)c1)CC[NH2+]C2 ZINC000072472872 216250412 /nfs/dbraw/zinc/25/04/12/216250412.db2.gz KHWMGXJWTJUBOO-UHFFFAOYSA-N 1 0 347.422 2.151 50 0 EEAARO Cc1cc(N2CC[C@@H]3[C@@H](CCC(=O)N3CC[NH3+])C2)nc2ccccc12 ZINC000072475003 216253007 /nfs/dbraw/zinc/25/30/07/216253007.db2.gz KJVRZOVQZJPXDT-MAUKXSAKSA-N 1 0 338.455 2.319 50 0 EEAARO Cc1nc2ccccc2nc1CN1CCC([N@@H+]2CCC[C@@H](O)C2)CC1 ZINC000072478911 216258128 /nfs/dbraw/zinc/25/81/28/216258128.db2.gz WHTWVZGFGABQCF-QGZVFWFLSA-N 1 0 340.471 2.359 50 0 EEAARO C[NH+]1CCC(n2cc(CN3CCC[C@H]3c3nccs3)nn2)CC1 ZINC000023338504 212368984 /nfs/dbraw/zinc/36/89/84/212368984.db2.gz DVLBCOAFNFHCJB-HNNXBMFYSA-N 1 0 332.477 2.338 50 0 EEAARO C[C@@H]1CCC[C@@H]1OC[C@H](O)C[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022823052 212326387 /nfs/dbraw/zinc/32/63/87/212326387.db2.gz HFJHHKLHMBKIGJ-RLLQIKCJSA-N 1 0 332.488 2.370 50 0 EEAARO Cc1c(O)cccc1C(=O)N1CCC([N@@H+]2CCC[C@@H](CO)C2)CC1 ZINC000216224465 241174663 /nfs/dbraw/zinc/17/46/63/241174663.db2.gz ZVLXULOESIHCSG-OAHLLOKOSA-N 1 0 332.444 2.010 50 0 EEAARO CCCC(=O)c1cn(CC(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c2ccccc12 ZINC000426555367 241308433 /nfs/dbraw/zinc/30/84/33/241308433.db2.gz CJFOXMKALPSUEF-KBPBESRZSA-N 1 0 345.418 2.440 50 0 EEAARO Cc1cnc(CSc2nnc([C@@H]([NH3+])Cc3ccccc3)n2C)cn1 ZINC000426548753 241308715 /nfs/dbraw/zinc/30/87/15/241308715.db2.gz JQWNBUDGQVUAMH-HNNXBMFYSA-N 1 0 340.456 2.448 50 0 EEAARO O=C(NCc1ccc(C[NH+]2CCCCC2)cc1)c1ccc(=O)[nH]n1 ZINC000021961564 212266225 /nfs/dbraw/zinc/26/62/25/212266225.db2.gz HEVIMSNQFSLUIZ-UHFFFAOYSA-N 1 0 326.400 2.098 50 0 EEAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2n[nH]c3c2CCC3)C1 ZINC000244701091 243061071 /nfs/dbraw/zinc/06/10/71/243061071.db2.gz KAARMWJPOIBHJG-OAHLLOKOSA-N 1 0 338.455 2.426 50 0 EEAARO Cc1cc(N[C@@H](c2ccc3c(c2)CCO3)[C@H]2C[C@@H](O)C2)nc(N)[nH+]1 ZINC000244874351 243095007 /nfs/dbraw/zinc/09/50/07/243095007.db2.gz WZVYGRNQMHUEOK-VBQJREDUSA-N 1 0 326.400 2.226 50 0 EEAARO CN(C)C(=O)c1ccc(CN(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)o1 ZINC000244723812 243070461 /nfs/dbraw/zinc/07/04/61/243070461.db2.gz MHTMMMBLYREUNZ-QGZVFWFLSA-N 1 0 341.455 2.470 50 0 EEAARO C[NH+](C)CCCNC(=O)[C@H]1CC(c2c(F)cccc2Cl)=NO1 ZINC000020614985 212156520 /nfs/dbraw/zinc/15/65/20/212156520.db2.gz QXCPREIPGMGZBI-CYBMUJFWSA-N 1 0 327.787 2.040 50 0 EEAARO Cc1cc(N2CCN(CC(=O)N(C)C3CCCCC3)CC2)cc[nH+]1 ZINC000252500046 243819931 /nfs/dbraw/zinc/81/99/31/243819931.db2.gz SMKIJWDRFMMGQN-UHFFFAOYSA-N 1 0 330.476 2.303 50 0 EEAARO C[NH+]1CCN(/C=C/C=C/c2nnn(-c3ccc(Cl)cc3)n2)CC1 ZINC000020458283 212132656 /nfs/dbraw/zinc/13/26/56/212132656.db2.gz BUSYLQHFAOBJLZ-QIAUARBPSA-N 1 0 330.823 2.090 50 0 EEAARO O[C@H](COc1ccccc1F)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020294061 212116438 /nfs/dbraw/zinc/11/64/38/212116438.db2.gz MKXBEZNIDXCEIK-SFHVURJKSA-N 1 0 344.430 2.383 50 0 EEAARO OCc1ccc(OCCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020247123 212114495 /nfs/dbraw/zinc/11/44/95/212114495.db2.gz QSWSENUTGPBKPN-UHFFFAOYSA-N 1 0 326.440 2.376 50 0 EEAARO CC(C)[N@@H+]1CCN(Cc2c[nH]nc2-c2ccccc2)C[C@@H]1CCO ZINC000020235377 212113673 /nfs/dbraw/zinc/11/36/73/212113673.db2.gz VMBKSQNIXOHPSS-SFHVURJKSA-N 1 0 328.460 2.354 50 0 EEAARO CC(C)c1cc(=O)[nH]c(Nc2ccc(N3CC[NH+](C)CC3)cc2)n1 ZINC000019942614 212088249 /nfs/dbraw/zinc/08/82/49/212088249.db2.gz DVPXMRYEJYHMNO-UHFFFAOYSA-N 1 0 327.432 2.389 50 0 EEAARO CC[C@H]([NH3+])C(=O)N1CCC(Cn2cc(-c3ccc(C)cc3)nn2)CC1 ZINC000019957940 212089708 /nfs/dbraw/zinc/08/97/08/212089708.db2.gz MSGNPMTYHXTGHY-KRWDZBQOSA-N 1 0 341.459 2.229 50 0 EEAARO Cn1cc(C[NH+]2CCSCC2)c(-c2ccc3c(c2)OCCO3)n1 ZINC000019788964 212066789 /nfs/dbraw/zinc/06/67/89/212066789.db2.gz NOQVLNSOEQIVHO-UHFFFAOYSA-N 1 0 331.441 2.407 50 0 EEAARO COc1cc2c(c(OC)c1OC)-c1ccc(O)c(=O)cc1[C@@H]([NH3+])CC2 ZINC000019632731 212051984 /nfs/dbraw/zinc/05/19/84/212051984.db2.gz IRVWPZRYDQROLU-ZDUSSCGKSA-N 1 0 343.379 2.391 50 0 in-vitro EEAARO O=C(c1ccc2ncsc2c1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077406000 284694910 /nfs/dbraw/zinc/69/49/10/284694910.db2.gz FNCBLPRPCRREOO-SFHVURJKSA-N 1 0 345.468 2.359 50 0 EEAARO C[NH+](C)[C@H](CNC(=O)Cc1cccs1)c1ccc2c(c1)OCO2 ZINC000012196232 211316975 /nfs/dbraw/zinc/31/69/75/211316975.db2.gz CQRAUJIZZBFPAO-CQSZACIVSA-N 1 0 332.425 2.438 50 0 EEAARO Cc1ccc2c(c1)C[N@@H+](CCC(=O)NCC(C)(C)CO)C[C@H](C)O2 ZINC000011977251 211276655 /nfs/dbraw/zinc/27/66/55/211276655.db2.gz WMMIUPDOLZVAGW-HNNXBMFYSA-N 1 0 334.460 2.103 50 0 EEAARO [NH3+]C[C@@H](O)CC(=O)N1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091452145 218008327 /nfs/dbraw/zinc/00/83/27/218008327.db2.gz XKLSYXWWIOXEMA-IBGZPJMESA-N 1 0 338.451 2.305 50 0 EEAARO C[N@@H+]1CCN(Cc2cc(F)cc(Cl)c2)C[C@]12CCNC(=O)CC2 ZINC000091475693 218011952 /nfs/dbraw/zinc/01/19/52/218011952.db2.gz CJZMTHPLUFQMBM-KRWDZBQOSA-N 1 0 339.842 2.265 50 0 EEAARO Cc1nc(SCC[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)n[nH]1 ZINC000091620232 218032010 /nfs/dbraw/zinc/03/20/10/218032010.db2.gz YZGYEHDMDNCHLA-UHFFFAOYSA-N 1 0 349.847 2.490 50 0 EEAARO Cn1cccc1[C@@H](CNC(=O)c1ccc2c(c1)OCO2)[NH+]1CCCC1 ZINC000011845700 211255602 /nfs/dbraw/zinc/25/56/02/211255602.db2.gz NHZUFVZMLSWPRG-MRXNPFEDSA-N 1 0 341.411 2.321 50 0 EEAARO NC(=O)c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC2CCC2)C3)cc1 ZINC000095363857 218297385 /nfs/dbraw/zinc/29/73/85/218297385.db2.gz AQBVNUSNKIISPU-PKOBYXMFSA-N 1 0 327.472 2.482 50 0 EEAARO COc1cccc2c1OC[C@@H](CNc1cc(N)[nH+]c(SC)n1)C2 ZINC000095374106 218306697 /nfs/dbraw/zinc/30/66/97/218306697.db2.gz DYFRAMZACWYHCE-SNVBAGLBSA-N 1 0 332.429 2.453 50 0 EEAARO O=C(C[N@@H+]1CCC[C@@H](c2ccccc2)C1)NCCNc1cccnc1 ZINC000095375798 218309316 /nfs/dbraw/zinc/30/93/16/218309316.db2.gz KJRZIQBVZCWZDG-GOSISDBHSA-N 1 0 338.455 2.489 50 0 EEAARO C[N@@H+]1CCCCC[C@@H]1C(=O)NCc1nc(Cc2ccccc2)no1 ZINC000095382815 218314222 /nfs/dbraw/zinc/31/42/22/218314222.db2.gz BOFPFRRAHPSQAO-OAHLLOKOSA-N 1 0 328.416 2.151 50 0 EEAARO CCNc1ncc(C(=O)NC[C@@H](c2ccccc2C)[NH+](C)C)cn1 ZINC000097294549 219010211 /nfs/dbraw/zinc/01/02/11/219010211.db2.gz SWBOCEAUFGPAKM-INIZCTEOSA-N 1 0 327.432 2.250 50 0 EEAARO Cc1ccc(OCCC[NH2+]C[C@H](C)O)c(I)c1 ZINC000004833726 210291919 /nfs/dbraw/zinc/29/19/19/210291919.db2.gz NYCFRKIWPJEGGK-NSHDSACASA-N 1 0 349.212 2.339 50 0 EEAARO O=C1N[C@](Cc2ccc(F)cc2)(C2CC[NH2+]CC2)C(=O)N1CC1CC1 ZINC000299778363 258088318 /nfs/dbraw/zinc/08/83/18/258088318.db2.gz OUKVLUWQQPUSOU-LJQANCHMSA-N 1 0 345.418 2.068 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cnc(-c4ccccn4)nc3)[C@H]1C[C@@H](O)CC2 ZINC000299789370 258095728 /nfs/dbraw/zinc/09/57/28/258095728.db2.gz YPEWUGIVRRLVIT-VDZJLULYSA-N 1 0 340.427 2.043 50 0 EEAARO CC(C)c1csc(CCNC(=O)C[C@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000299789387 258095860 /nfs/dbraw/zinc/09/58/60/258095860.db2.gz YYMVSJFUTFMTMV-AWEZNQCLSA-N 1 0 339.505 2.425 50 0 EEAARO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000299791298 258096817 /nfs/dbraw/zinc/09/68/17/258096817.db2.gz DQHFUFWNCOBTIX-HOTGVXAUSA-N 1 0 341.411 2.243 50 0 EEAARO C[C@H](Cc1cnccn1)NC(=O)c1cccc(CC2CC[NH2+]CC2)c1 ZINC000072161305 258064479 /nfs/dbraw/zinc/06/44/79/258064479.db2.gz HZBWEPLGWCNBKD-OAHLLOKOSA-N 1 0 338.455 2.380 50 0 EEAARO COc1ccc(C(=O)N2CCCC3(CCOCC3)C2)c(OCC[NH3+])c1 ZINC000426374413 286273000 /nfs/dbraw/zinc/27/30/00/286273000.db2.gz RNWIVFUFIZSQFM-UHFFFAOYSA-N 1 0 348.443 2.066 50 0 EEAARO C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCCN1Cc1ccncc1 ZINC000106790893 290389341 /nfs/dbraw/zinc/38/93/41/290389341.db2.gz PXHZAHOQLIAEIV-PKOBYXMFSA-N 1 0 344.503 2.427 50 0 EEAARO c1ccc2c(c1)OC[C@H](CN1CC[NH+](C3CCSCC3)CC1)O2 ZINC000252488300 464965687 /nfs/dbraw/zinc/96/56/87/464965687.db2.gz IOSBXHZDWWZPBR-INIZCTEOSA-N 1 0 334.485 2.340 50 0 EEAARO Cc1cc(C(F)(F)F)nc(CC[NH2+][C@@H](C)C(=O)NC2CCCC2)n1 ZINC000065398490 462763819 /nfs/dbraw/zinc/76/38/19/462763819.db2.gz VBZCHRHSQDCFKV-NSHDSACASA-N 1 0 344.381 2.383 50 0 EEAARO Cc1cccnc1CN1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000065403347 462765394 /nfs/dbraw/zinc/76/53/94/462765394.db2.gz ODUBEAVSJYBVDY-GOSISDBHSA-N 1 0 344.503 2.299 50 0 EEAARO CC(C)[NH+]1CCC(C(=O)NCc2cc(-c3cccnc3)no2)CC1 ZINC000065458782 462774668 /nfs/dbraw/zinc/77/46/68/462774668.db2.gz SMJCJWOJMMMSQB-UHFFFAOYSA-N 1 0 328.416 2.473 50 0 EEAARO CC[C@@H]([NH2+]Cc1cccnc1-n1cncn1)C(=O)Nc1ccccc1 ZINC000065467721 462776003 /nfs/dbraw/zinc/77/60/03/462776003.db2.gz YDJAFYCYXCBWPM-MRXNPFEDSA-N 1 0 336.399 2.169 50 0 EEAARO COC(=O)c1cc2n(n1)CCC[N@@H+]([C@H](C)Cc1ccc(C)cn1)C2 ZINC000065528284 462789630 /nfs/dbraw/zinc/78/96/30/462789630.db2.gz YVWIDSCYFHDLND-CQSZACIVSA-N 1 0 328.416 2.210 50 0 EEAARO Cc1cc(=O)n2c(n1)NC(N1CCCCC1)=[NH+][C@H]2c1cccc(O)c1 ZINC000009289684 462800589 /nfs/dbraw/zinc/80/05/89/462800589.db2.gz BNSPFFXNQWLHEZ-MRXNPFEDSA-N 1 0 339.399 2.072 50 0 EEAARO C[NH+](C)C[C@H]1CSCCCN1C(=O)/C=C/c1ccc2c(c1)OCO2 ZINC000090699915 462808728 /nfs/dbraw/zinc/80/87/28/462808728.db2.gz 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462913148 /nfs/dbraw/zinc/91/31/48/462913148.db2.gz KUNDJBKCJAUBNC-QGZVFWFLSA-N 1 0 338.492 2.297 50 0 EEAARO CCN(CC)C(=O)c1cn([C@H]2CCC[N@H+](Cc3ccco3)C2)nn1 ZINC000015070263 462940579 /nfs/dbraw/zinc/94/05/79/462940579.db2.gz SQURSHJJHNRHDY-AWEZNQCLSA-N 1 0 331.420 2.190 50 0 EEAARO Cc1cc(N2CCCN(C(=O)c3cn4ccsc4n3)CC2)cc[nH+]1 ZINC000077472118 462990740 /nfs/dbraw/zinc/99/07/40/462990740.db2.gz QDKKCYUOCBWQTK-UHFFFAOYSA-N 1 0 341.440 2.452 50 0 EEAARO COc1ccc(CC[NH2+]C[C@H](O)c2ccc3c(c2)OCO3)cc1OC ZINC000096027712 463143007 /nfs/dbraw/zinc/14/30/07/463143007.db2.gz DRLFXRCMBRGUQH-HNNXBMFYSA-N 1 0 345.395 2.298 50 0 EEAARO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)Cc1ccc2ncccc2c1 ZINC000071761421 463423379 /nfs/dbraw/zinc/42/33/79/463423379.db2.gz FPIXTOUUANTTTF-HNNXBMFYSA-N 1 0 327.428 2.162 50 0 EEAARO NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000071768178 463424996 /nfs/dbraw/zinc/42/49/96/463424996.db2.gz YYPYIXPZKKRUSG-UHFFFAOYSA-N 1 0 349.862 2.286 50 0 EEAARO 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EEAARO [NH3+]Cc1ccc(CNc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)cc1 ZINC000095508548 218421400 /nfs/dbraw/zinc/42/14/00/218421400.db2.gz PPLICFOVOFQPAA-UHFFFAOYSA-N 1 0 348.406 2.324 50 0 EEAARO C[NH+]1CCC(n2nc(-c3ccco3)nc2Cn2ccccc2=O)CC1 ZINC000096150218 218627244 /nfs/dbraw/zinc/62/72/44/218627244.db2.gz KVQBBXRDVJFJOY-UHFFFAOYSA-N 1 0 339.399 2.015 50 0 EEAARO CCc1ccc(N2C(=O)C[C@@H]([N@@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000005387799 210454385 /nfs/dbraw/zinc/45/43/85/210454385.db2.gz ULYWJOJGQJEMED-NVXWUHKLSA-N 1 0 330.428 2.118 50 0 EEAARO COc1cc(C[N@@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)ccc1O ZINC000005010313 210360906 /nfs/dbraw/zinc/36/09/06/210360906.db2.gz UZSUPBUUTRNOGQ-CABCVRRESA-N 1 0 326.396 2.182 50 0 EEAARO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1cccc2c3c([nH]c21)CCCC3 ZINC000299784483 258092027 /nfs/dbraw/zinc/09/20/27/258092027.db2.gz GWAKQXXBGTYVLQ-ROUUACIJSA-N 1 0 341.455 2.496 50 0 EEAARO CCC[N@@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](CCc1ccccn1)CC2 ZINC000072161335 258064543 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CCOC(=O)c1ccc(N2C(=O)C[C@H]([NH+]3CCCCCC3)C2=O)cc1 ZINC000004577448 276298984 /nfs/dbraw/zinc/29/89/84/276298984.db2.gz XFCYMTNNJADZSF-INIZCTEOSA-N 1 0 344.411 2.371 50 0 EEAARO C=C1C(N2CCC[NH2+]CC2)=NS(=O)(=O)C1c1ccc(CC)cc1 ZINC000045796213 288536279 /nfs/dbraw/zinc/53/62/79/288536279.db2.gz MWAXXJDERDLYJW-UHFFFAOYSA-N 1 0 333.457 2.017 50 0 EEAARO CC[NH+](CC)CCn1c2ccccc2nc1NC(=O)[C@H]1CCCO1 ZINC000028305579 441430153 /nfs/dbraw/zinc/43/01/53/441430153.db2.gz HUBNOHRHFKKILH-MRXNPFEDSA-N 1 0 330.432 2.496 50 0 EEAARO CC[C@H](CNC(=O)N(C)Cc1cc(-c2ccncc2)no1)[NH+](C)C ZINC000534672969 468273910 /nfs/dbraw/zinc/27/39/10/468273910.db2.gz ACSQKGRUZXHZLS-CQSZACIVSA-N 1 0 331.420 2.218 50 0 EEAARO C[C@H](COc1ccccc1)[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000065387494 462762936 /nfs/dbraw/zinc/76/29/36/462762936.db2.gz STDBGPOXKCZHOJ-CQSZACIVSA-N 1 0 325.412 2.434 50 0 EEAARO Cc1cc(C(F)(F)F)nc(CC[NH2+][C@H](C)C(=O)NC2CCCC2)n1 ZINC000065398491 462764355 /nfs/dbraw/zinc/76/43/55/462764355.db2.gz VBZCHRHSQDCFKV-LLVKDONJSA-N 1 0 344.381 2.383 50 0 EEAARO O=C(C[C@@H]1NC(=O)c2ccccc21)NCC[N@@H+]1CCc2ccccc2C1 ZINC000065395587 462764493 /nfs/dbraw/zinc/76/44/93/462764493.db2.gz WTLQLQCFJKDNRS-IBGZPJMESA-N 1 0 349.434 2.036 50 0 EEAARO CCOC(=O)C1=C(C[NH2+][C@@H](C)CCc2ccccc2)NC(=O)N[C@@H]1C ZINC000008723769 462793087 /nfs/dbraw/zinc/79/30/87/462793087.db2.gz HJRHDYUFTPVIHM-UONOGXRCSA-N 1 0 345.443 2.116 50 0 EEAARO Cc1cc(N2CCCC2)nc(N2CCN(C(=O)C3CCCC3)CC2)[nH+]1 ZINC000009620660 462805720 /nfs/dbraw/zinc/80/57/20/462805720.db2.gz PFOZRGRBNIXFAB-UHFFFAOYSA-N 1 0 343.475 2.224 50 0 EEAARO CC(C)(C)C[NH2+]C[C@@]1(O)CCCN(Cc2cccc(F)c2F)C1=O ZINC000012576322 462858226 /nfs/dbraw/zinc/85/82/26/462858226.db2.gz ROYFVKBCDYILDA-SFHVURJKSA-N 1 0 340.414 2.454 50 0 EEAARO CC[NH+](CC)CCNC(=S)N(C)Cc1cc(=O)[nH]c2ccccc12 ZINC000013731989 462901881 /nfs/dbraw/zinc/90/18/81/462901881.db2.gz JZNPZHCGPPMLGL-UHFFFAOYSA-N 1 0 346.500 2.176 50 0 EEAARO Cn1c(CN2CCCC2)nnc1C1CCN(c2cc[nH+]cc2)CC1 ZINC000077287757 462963808 /nfs/dbraw/zinc/96/38/08/462963808.db2.gz NTXWWSGDZUTEIL-UHFFFAOYSA-N 1 0 326.448 2.190 50 0 EEAARO Cc1nccn1CC[C@H]1CCCC[N@H+]1Cc1cnc(N(C)C)nc1 ZINC000077322446 462967986 /nfs/dbraw/zinc/96/79/86/462967986.db2.gz XEYHEDAXWROQOI-QGZVFWFLSA-N 1 0 328.464 2.492 50 0 EEAARO Cc1nn(C)c2nc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)sc12 ZINC000096160331 463190654 /nfs/dbraw/zinc/19/06/54/463190654.db2.gz HYKLCSMAXFKDCY-ZDUSSCGKSA-N 1 0 335.477 2.394 50 0 EEAARO COc1ccc(CN2CCC([NH2+]Cc3cnn(C)c3)CC2)cc1F ZINC000097159106 463337984 /nfs/dbraw/zinc/33/79/84/463337984.db2.gz NDOABPQPGQMFFX-UHFFFAOYSA-N 1 0 332.423 2.322 50 0 EEAARO CCc1nnc2n1C[C@H]([NH2+][C@@H](C)C(=O)NCCC1=CCCCC1)CC2 ZINC000097199504 463344268 /nfs/dbraw/zinc/34/42/68/463344268.db2.gz RYPJSMPPICMJCZ-GOEBONIOSA-N 1 0 345.491 2.140 50 0 EEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)Cc2c(F)cccc2Cl)C1 ZINC000032267745 463367796 /nfs/dbraw/zinc/36/77/96/463367796.db2.gz LSUHDVNGEILSFX-ZDUSSCGKSA-N 1 0 342.842 2.495 50 0 EEAARO CCc1nnsc1C(=O)NCCC[N@@H+]1CCc2ccccc2C1 ZINC000032400407 463375170 /nfs/dbraw/zinc/37/51/70/463375170.db2.gz QQPCMBXBYCCSBY-UHFFFAOYSA-N 1 0 330.457 2.279 50 0 EEAARO CCC[NH2+]Cc1cc(=O)n2nc(NCc3ccc(Cl)cc3)[nH]c2n1 ZINC000101795812 463381876 /nfs/dbraw/zinc/38/18/76/463381876.db2.gz KOWXWDSCPUFULT-UHFFFAOYSA-N 1 0 346.822 2.183 50 0 EEAARO CCOC(=O)c1ccc(OC[C@@H](O)C[N@H+](C)Cc2cccnc2)cc1 ZINC000032854093 463398574 /nfs/dbraw/zinc/39/85/74/463398574.db2.gz WMBPPMWMGDPXLN-KRWDZBQOSA-N 1 0 344.411 2.130 50 0 EEAARO COCC[N@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000071315166 463413450 /nfs/dbraw/zinc/41/34/50/463413450.db2.gz QGCQBEAUWZMGTJ-FQEVSTJZSA-N 1 0 348.487 2.242 50 0 EEAARO CC1=CC[C@@H]2C[N@@H+](Cc3ccc(CN(C)S(C)(=O)=O)o3)C[C@@H]2C1 ZINC000071479453 463415790 /nfs/dbraw/zinc/41/57/90/463415790.db2.gz VCTBIUULQXXUAA-CABCVRRESA-N 1 0 338.473 2.459 50 0 EEAARO COC[C@@H](C)[NH2+]Cc1cc2c(=O)n(C3CCCC3)cc-2[nH]c1OC ZINC000071751487 463422393 /nfs/dbraw/zinc/42/23/93/463422393.db2.gz 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EEAARO Cc1ccc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)c(=O)[nH]1 ZINC000071774738 258064042 /nfs/dbraw/zinc/06/40/42/258064042.db2.gz YGQBNRDIYIBICP-QGZVFWFLSA-N 1 0 331.460 2.266 50 0 EEAARO CC[NH+](CC)CCNC(=O)CCC(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000004589828 279105432 /nfs/dbraw/zinc/10/54/32/279105432.db2.gz VZRQCWCYGISRIC-HRCADAONSA-N 1 0 325.497 2.166 50 0 EEAARO C=C1C(N2CCC([NH3+])CC2)=NS(=O)(=O)C1c1ccc(Cl)cc1 ZINC000045796221 281666209 /nfs/dbraw/zinc/66/62/09/281666209.db2.gz HBWRDBFVNSMJIL-UHFFFAOYSA-N 1 0 339.848 2.236 50 0 EEAARO COc1ccccc1N1CC[C@H]([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)C1=O ZINC000110677906 295372767 /nfs/dbraw/zinc/37/27/67/295372767.db2.gz KGWKUZQPCWHHKD-CLROSIBMSA-N 1 0 330.428 2.204 50 0 EEAARO Cc1nc(C)n(-c2ccccc2NC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000333145245 312100182 /nfs/dbraw/zinc/10/01/82/312100182.db2.gz LQZRQUVFSHYTTI-GOSISDBHSA-N 1 0 340.431 2.101 50 0 EEAARO C[C@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229221430 464194737 /nfs/dbraw/zinc/19/47/37/464194737.db2.gz BWUHFMXNNZTVHS-ZIAGYGMSSA-N 1 0 332.473 2.398 50 0 EEAARO O=C(NC1(C[NH+]2CCCCC2)CC1)N1CC[C@](O)(c2ccccc2)C1 ZINC000534644873 468269517 /nfs/dbraw/zinc/26/95/17/468269517.db2.gz PSRMHUCVQVUDOU-HXUWFJFHSA-N 1 0 343.471 2.308 50 0 EEAARO O=C(NC1(C[NH+]2CCCCC2)CC1)N1CC[C@@](O)(c2ccccc2)C1 ZINC000534644872 468269629 /nfs/dbraw/zinc/26/96/29/468269629.db2.gz PSRMHUCVQVUDOU-FQEVSTJZSA-N 1 0 343.471 2.308 50 0 EEAARO C[NH+](C)CCNC(=O)C(=O)c1c(-c2ccccc2)cc2ccccn21 ZINC000003226287 462612648 /nfs/dbraw/zinc/61/26/48/462612648.db2.gz ASIZHBAGRDUDCK-UHFFFAOYSA-N 1 0 335.407 2.467 50 0 EEAARO COc1ccc2c3c1O[C@H]1[C@@H](OC(C)=O)C=C[C@H]4[C@@H](C2)[N@@H+](C)CC[C@]314 ZINC000005166563 462647143 /nfs/dbraw/zinc/64/71/43/462647143.db2.gz MFXFQKMUCYHPFQ-BKRJIHRRSA-N 1 0 341.407 2.072 50 0 in-man EEAARO CC(=O)Nc1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000006304940 462682118 /nfs/dbraw/zinc/68/21/18/462682118.db2.gz IJYXDKQVGAYJQE-IBGZPJMESA-N 1 0 340.423 2.443 50 0 EEAARO CN1CCC([N@H+](C)C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000006936245 462712931 /nfs/dbraw/zinc/71/29/31/462712931.db2.gz MZQJGZAZIPQTPV-INIZCTEOSA-N 1 0 326.868 2.244 50 0 EEAARO Cc1ncc(C[N@@H+]2CC[C@@H](C3CCN(c4ncccn4)CC3)C2)cn1 ZINC000012052439 462842691 /nfs/dbraw/zinc/84/26/91/462842691.db2.gz QSBJDTINKBYOLD-GOSISDBHSA-N 1 0 338.459 2.314 50 0 EEAARO Cc1ocnc1C(=O)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000012192171 462847422 /nfs/dbraw/zinc/84/74/22/462847422.db2.gz LWJLBZHIDBWCHZ-INIZCTEOSA-N 1 0 325.412 2.345 50 0 EEAARO O=C1C[C@@H]([NH2+]Cc2ccc(OCCO)cc2)CN1C1CCCCCC1 ZINC000012594032 462858656 /nfs/dbraw/zinc/85/86/56/462858656.db2.gz PTBFYFHSZBYGGD-QGZVFWFLSA-N 1 0 346.471 2.471 50 0 EEAARO CCN(CC[NH+](C)C)C(=O)c1nn(C)c2c1COc1ccccc1-2 ZINC000015674321 462960355 /nfs/dbraw/zinc/96/03/55/462960355.db2.gz DIHAKSUDFMEYJK-UHFFFAOYSA-N 1 0 328.416 2.003 50 0 EEAARO COc1ccc(C[NH2+][C@@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000018106860 463005378 /nfs/dbraw/zinc/00/53/78/463005378.db2.gz JUHFYWPBPPNLDT-MRXNPFEDSA-N 1 0 328.343 2.256 50 0 EEAARO O=C(CN1CCCCCC1=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000023981060 463074600 /nfs/dbraw/zinc/07/46/00/463074600.db2.gz BDICVCCQAFDKKF-UHFFFAOYSA-N 1 0 343.471 2.170 50 0 EEAARO Cn1cc(NC(=O)NCC[N@@H+]2CCC[C@@H](c3ccccc3)C2)cn1 ZINC000095515426 463100543 /nfs/dbraw/zinc/10/05/43/463100543.db2.gz PNTSNBFOWVCWAD-MRXNPFEDSA-N 1 0 327.432 2.421 50 0 EEAARO CCc1ocnc1C(=O)N1CCC[C@H](c2nccn2CC[NH+](C)C)C1 ZINC000095515392 463100777 /nfs/dbraw/zinc/10/07/77/463100777.db2.gz CXCJHIWWRBANHF-AWEZNQCLSA-N 1 0 345.447 2.015 50 0 EEAARO CN(CCCc1nccn1C)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000095520355 463102570 /nfs/dbraw/zinc/10/25/70/463102570.db2.gz BKMJJASRMNKJFI-INIZCTEOSA-N 1 0 344.459 2.316 50 0 EEAARO O=C(C[N@@H+]1CCC[C@@H]1Cc1ccccc1)NC(=O)NCC(F)(F)F ZINC000025360038 463121687 /nfs/dbraw/zinc/12/16/87/463121687.db2.gz OLABCFTWMCXWNM-CYBMUJFWSA-N 1 0 343.349 2.082 50 0 EEAARO Cn1ncc2ccc(NC(=O)N(CC[NH+](C)C)C[C@@H]3CCCO3)cc21 ZINC000096131276 463183658 /nfs/dbraw/zinc/18/36/58/463183658.db2.gz HIPJCXWVTXEWRL-INIZCTEOSA-N 1 0 345.447 2.148 50 0 EEAARO O=C(c1ccc2c(c1)OCCO2)N1CC[NH+](C2CCSCC2)CC1 ZINC000096162136 463192688 /nfs/dbraw/zinc/19/26/88/463192688.db2.gz JHXPYQFKDLMTNT-UHFFFAOYSA-N 1 0 348.468 2.111 50 0 EEAARO NC(=O)c1ccsc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000028842556 463234737 /nfs/dbraw/zinc/23/47/37/463234737.db2.gz KRZBVMKIXJMVPR-UHFFFAOYSA-N 1 0 329.425 2.234 50 0 EEAARO COc1cccc(OC)c1C(=O)NCCc1[nH+]cc2ccccn21 ZINC000031773102 463354120 /nfs/dbraw/zinc/35/41/20/463354120.db2.gz CCYWQMNVDVSBKC-UHFFFAOYSA-N 1 0 325.368 2.324 50 0 EEAARO CCn1c(=S)n(CN2CC[NH+](CC)CC2)nc1-c1ccncc1 ZINC000032781594 463393777 /nfs/dbraw/zinc/39/37/77/463393777.db2.gz IPHLFCRGESYEKS-UHFFFAOYSA-N 1 0 332.477 2.091 50 0 EEAARO O=C([C@@H]1CC(=O)N(c2ccccc2)C1)N1CC[NH+](C2CCCC2)CC1 ZINC000034916096 463429676 /nfs/dbraw/zinc/42/96/76/463429676.db2.gz FLFTXEONBLKDFH-MRXNPFEDSA-N 1 0 341.455 2.126 50 0 EEAARO Cc1ccccc1SC1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000082092972 463513183 /nfs/dbraw/zinc/51/31/83/463513183.db2.gz LLLYFDJEYJZTER-OAHLLOKOSA-N 1 0 334.485 2.457 50 0 EEAARO C[NH+](C)C[C@H]1CN(C[C@](C)(O)c2cccc(C(F)(F)F)c2)CCO1 ZINC000106844612 463541699 /nfs/dbraw/zinc/54/16/99/463541699.db2.gz OGYMRIIVIGSCBR-HOTGVXAUSA-N 1 0 346.393 2.175 50 0 EEAARO Cc1ncc(C[N@@H+]2CC[C@H](Nc3ncnc4nc[nH]c43)[C@@H](C)C2)s1 ZINC000106915753 463551225 /nfs/dbraw/zinc/55/12/25/463551225.db2.gz IRCNZSBQFIWLSO-GWCFXTLKSA-N 1 0 343.460 2.440 50 0 EEAARO CC[C@H]1CN(Cc2nnc(-c3ccc(F)cc3)o2)CC[N@@H+]1C[C@H](C)O ZINC000107320753 463565310 /nfs/dbraw/zinc/56/53/10/463565310.db2.gz XBTRIQNFVZNJOJ-BBRMVZONSA-N 1 0 348.422 2.153 50 0 EEAARO CC[C@@H]1CN(C(C)=O)CC[C@@H]1[NH2+][C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000107504742 463572081 /nfs/dbraw/zinc/57/20/81/463572081.db2.gz YRHFFVNSBPJMPN-LFEHRJTNSA-N 1 0 345.487 2.489 50 0 EEAARO C[C@H](CN1CCOCC1)[N@@H+]1CCC[C@@H](Oc2ccc(Cl)cn2)C1 ZINC000108161815 463591471 /nfs/dbraw/zinc/59/14/71/463591471.db2.gz QEFSALNBFGVPOW-GDBMZVCRSA-N 1 0 339.867 2.299 50 0 EEAARO Cn1c(CN2CC[N@H+](C)C[C@H]2c2ccccc2)nc2ccccc2c1=O ZINC000108376243 463601492 /nfs/dbraw/zinc/60/14/92/463601492.db2.gz XVWYVCWQGMEKEX-IBGZPJMESA-N 1 0 348.450 2.422 50 0 EEAARO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000108375119 463601959 /nfs/dbraw/zinc/60/19/59/463601959.db2.gz MXGJHKNKVZWGTC-OWCLPIDISA-N 1 0 342.443 2.159 50 0 EEAARO Cc1ccc(Cl)c(OC[C@H](O)C[N@H+]2CCC[C@H]([C@H](C)O)C2)c1 ZINC000108469416 463605094 /nfs/dbraw/zinc/60/50/94/463605094.db2.gz BLFYOMQYHOZKJQ-SOUVJXGZSA-N 1 0 327.852 2.481 50 0 EEAARO COc1cccc(/C(C)=C/C(=O)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000110670206 463661769 /nfs/dbraw/zinc/66/17/69/463661769.db2.gz UFKUDKRSTKNMLM-JDZUMMNHSA-N 1 0 330.428 2.078 50 0 EEAARO COCc1nc(C2CC([NH3+])C2)cc(N(C)Cc2ccncc2C)n1 ZINC000219763897 464110812 /nfs/dbraw/zinc/11/08/12/464110812.db2.gz BFUFCMSIVLAWPP-UHFFFAOYSA-N 1 0 327.432 2.168 50 0 EEAARO CC(C)Cc1cc(C(=O)NCC2([NH+]3CCCC3)CCCC2)[nH]c(=O)n1 ZINC000220098061 464113891 /nfs/dbraw/zinc/11/38/91/464113891.db2.gz VKFDRIOTPWELDX-UHFFFAOYSA-N 1 0 346.475 2.107 50 0 EEAARO Cc1cc(NC(=O)[C@@H](C)N2CC[C@H](CNc3cccc(C)[nH+]3)C2)on1 ZINC000225344560 464156257 /nfs/dbraw/zinc/15/62/57/464156257.db2.gz QGSCECSDJRZDHS-HUUCEWRRSA-N 1 0 343.431 2.447 50 0 EEAARO CO[C@]12CCN(Cc3cc[nH]n3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426394728 467141910 /nfs/dbraw/zinc/14/19/10/467141910.db2.gz RIKQMCNFFQDTIV-XYJFISCASA-N 1 0 328.416 2.396 50 0 EEAARO Cc1nc(N)sc1CC(=O)NCC1([NH+]2CCCC2)CCCCC1 ZINC000584886219 468955043 /nfs/dbraw/zinc/95/50/43/468955043.db2.gz UEUVXQCZSIOBMY-UHFFFAOYSA-N 1 0 336.505 2.491 50 0 EEAARO O=C(NC[C@H]1CC[N@@H+](C2CCCC2)C1)N1CC(c2ccccn2)C1 ZINC000584887088 468955595 /nfs/dbraw/zinc/95/55/95/468955595.db2.gz RNYTWLIHLIFVJJ-OAHLLOKOSA-N 1 0 328.460 2.455 50 0 EEAARO Cc1ccc(C(=O)N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1C(F)F ZINC000584902864 468960744 /nfs/dbraw/zinc/96/07/44/468960744.db2.gz DMZJCCCXAKKBQT-AWEZNQCLSA-N 1 0 341.402 2.376 50 0 EEAARO CCc1ccccc1NC(=O)CCC(=O)NC[C@]1(C)CC[N@H+](C)C1 ZINC000670447433 485646117 /nfs/dbraw/zinc/64/61/17/485646117.db2.gz VGZCTIMPDRZALN-IBGZPJMESA-N 1 0 331.460 2.426 50 0 EEAARO O=C(c1cc(F)c(F)cc1Cl)N1C[C@H](O)[C@@H]([NH+]2CCCCC2)C1 ZINC000670452011 485647737 /nfs/dbraw/zinc/64/77/37/485647737.db2.gz UZOLPUJJOJTHDW-GJZGRUSLSA-N 1 0 344.789 2.289 50 0 EEAARO CC[C@H]1CN(C(=O)c2coc(COc3ccc(OC)cc3)n2)CC[NH2+]1 ZINC000067642660 529284693 /nfs/dbraw/zinc/28/46/93/529284693.db2.gz MQGLRIPFHZTDAT-ZDUSSCGKSA-N 1 0 345.399 2.086 50 0 EEAARO CC(C)(C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1)N1CCOCC1 ZINC000216437358 535076956 /nfs/dbraw/zinc/07/69/56/535076956.db2.gz GJDHJJMFUQMAGC-INIZCTEOSA-N 1 0 343.475 2.020 50 0 EEAARO O=C(NCc1ccccn1)C1CC[NH+](Cc2cncn2C2CC2)CC1 ZINC000252489043 1213930435 /nfs/dbraw/zinc/93/04/35/1213930435.db2.gz JDXWYDMWPKXKLJ-UHFFFAOYSA-N 1 0 339.443 2.141 50 0 EEAARO CN(Cc1nncn1C)C[C@H]1CCC[N@H+](CCc2ccccc2F)C1 ZINC000095501406 1215430153 /nfs/dbraw/zinc/43/01/53/1215430153.db2.gz MKENBNCPRWVVLR-MRXNPFEDSA-N 1 0 345.466 2.341 50 0 EEAARO Cn1ccnc1[C@@H](O)C1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000019742574 1229382444 /nfs/dbraw/zinc/38/24/44/1229382444.db2.gz OBCKKYBFNZRNPW-QAPCUYQASA-N 1 0 343.427 2.006 50 0 EEAARO Cc1cc(N2CCC[C@@H](c3nnc(CN4CCCC4)n3C)C2)cc[nH+]1 ZINC000072436223 1253495212 /nfs/dbraw/zinc/49/52/12/1253495212.db2.gz HIESTLBIPIOQTE-MRXNPFEDSA-N 1 0 340.475 2.498 50 0 EEAARO CN1CCC([N@H+](C)C[C@H]2CC[C@@H](Cc3ccc(CO)cc3)O2)CC1 ZINC000072436555 1253495518 /nfs/dbraw/zinc/49/55/18/1253495518.db2.gz BCIRLWZDRYMLMN-VQTJNVASSA-N 1 0 332.488 2.295 50 0 EEAARO O=c1cc(-c2cccnc2)nc(-c2ccc(C[N@H+]3CC[C@H](O)C3)cc2)[nH]1 ZINC000048194394 1316602234 /nfs/dbraw/zinc/60/22/34/1316602234.db2.gz MKBKGGVUXXDBAX-KRWDZBQOSA-N 1 0 348.406 2.066 50 0 EEAARO CSCC[NH+]1CCC(NC(=O)Cc2ccc(O)c(F)c2)CC1 ZINC001772804153 1410368064 /nfs/dbraw/zinc/36/80/64/1410368064.db2.gz HVBLXKJCOKVOFM-UHFFFAOYSA-N 1 0 326.437 2.017 50 0 EEAARO Cc1cc(=O)c2ccccc2n1CC(=O)N[C@H]1CCC[N@@H+]2CCC[C@@H]12 ZINC001772810758 1410369835 /nfs/dbraw/zinc/36/98/35/1410369835.db2.gz KZDFCCRAEXOTDA-WMZOPIPTSA-N 1 0 339.439 2.053 50 0 EEAARO CC[NH+](CC)CCN(C)C(=O)c1cn(Cc2ccccc2Cl)nn1 ZINC000014980939 778087995 /nfs/dbraw/zinc/08/79/95/778087995.db2.gz QLCYEKGQNQMUIX-UHFFFAOYSA-N 1 0 349.866 2.394 50 0 EEAARO O=C(NCCC1=CCCCC1)c1cc(CN2CCC[C@H](O)C2)on1 ZINC000012578687 788358156 /nfs/dbraw/zinc/35/81/56/788358156.db2.gz LOJPDALWXBLKFY-HNNXBMFYSA-N 1 0 333.432 2.252 50 0 EEAARO CN(C[C@]1(C)CC[N@H+](C)C1)S(=O)(=O)c1ccc(F)c(Cl)c1 ZINC000952974585 796117161 /nfs/dbraw/zinc/11/71/61/796117161.db2.gz FBYYSASUEQZFRO-CQSZACIVSA-N 1 0 334.844 2.441 50 0 EEAARO O=C(C1CC[NH+](C2CCCC2)CC1)N1CCN(CC(F)(F)F)CC1 ZINC000952975308 796117973 /nfs/dbraw/zinc/11/79/73/796117973.db2.gz IQNLHFYPMVPEDE-UHFFFAOYSA-N 1 0 347.425 2.348 50 0 EEAARO Cc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3ccccc3F)C2)nc(C)n1 ZINC000952992044 796135361 /nfs/dbraw/zinc/13/53/61/796135361.db2.gz YKSNTZPNOQHVEO-OAHLLOKOSA-N 1 0 342.418 2.484 50 0 EEAARO COc1cc(C(=O)NCCNc2cc[nH+]cc2C)nc2ccccc21 ZINC000824615041 800283327 /nfs/dbraw/zinc/28/33/27/800283327.db2.gz NEGBFZAOMNJHFP-UHFFFAOYSA-N 1 0 336.395 2.211 50 0 EEAARO O=C(c1cccs1)N1CCC([NH2+]CCc2nc(C3CC3)no2)CC1 ZINC000828187384 800628591 /nfs/dbraw/zinc/62/85/91/800628591.db2.gz OJLBCSBSEBNWLP-UHFFFAOYSA-N 1 0 346.456 2.445 50 0 EEAARO O=C(Cc1ccc(Cl)c(Cl)c1)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000828711101 800806479 /nfs/dbraw/zinc/80/64/79/800806479.db2.gz DLQGXEFMAPVEJF-ZDUSSCGKSA-N 1 0 345.270 2.356 50 0 EEAARO CCCCN(Cc1cccnc1)C(=O)[C@@H]([NH3+])Cc1ccc(O)cc1 ZINC001506421309 1114602018 /nfs/dbraw/zinc/60/20/18/1114602018.db2.gz FFPCAXGMEMSLHM-SFHVURJKSA-N 1 0 327.428 2.486 50 0 EEAARO CCn1ccc(C(=O)N(C)[C@@H]2C[C@@H]3C[C@H]([NH+](C)C)C[C@@H]3C2)cc1=O ZINC001529155664 1121346314 /nfs/dbraw/zinc/34/63/14/1121346314.db2.gz YHLXSLXDIGWINF-WNKDZCFJSA-N 1 0 331.460 2.059 50 0 EEAARO CCC(=O)c1ccc(OCC(=O)N2CCC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000055368856 214313314 /nfs/dbraw/zinc/31/33/14/214313314.db2.gz CAYGNNDNLWSMDU-INIZCTEOSA-N 1 0 330.428 2.355 50 0 EEAARO Cc1cccc(C[N@@H+]2CCC[C@H](CCNC(=O)c3cncnc3)C2)n1 ZINC000067587509 215164595 /nfs/dbraw/zinc/16/45/95/215164595.db2.gz YBGDGGTWPWKBLL-MRXNPFEDSA-N 1 0 339.443 2.212 50 0 EEAARO C[NH+](C)Cc1ccccc1Oc1ccc(C(=O)N2CCOCC2)cn1 ZINC000067675909 215181558 /nfs/dbraw/zinc/18/15/58/215181558.db2.gz UNOZXHMNGKOGJJ-UHFFFAOYSA-N 1 0 341.411 2.408 50 0 EEAARO CC(C)NC(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1nc(-c2ccccc2)cs1 ZINC000067714086 215192634 /nfs/dbraw/zinc/19/26/34/215192634.db2.gz QPWXYZKGQDMZGS-ZBFHGGJFSA-N 1 0 344.484 2.236 50 0 EEAARO CC(=O)NC[C@H]1CC[N@H+](Cc2cccc(-n3nc(C)cc3C)c2)C1 ZINC000067842397 215227541 /nfs/dbraw/zinc/22/75/41/215227541.db2.gz SRWRKPZSQZPIFX-GOSISDBHSA-N 1 0 326.444 2.447 50 0 EEAARO Cc1nnsc1C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2F)C1 ZINC000067855422 215233597 /nfs/dbraw/zinc/23/35/97/215233597.db2.gz OQBRBIDKPKPFLN-GFCCVEGCSA-N 1 0 334.420 2.238 50 0 EEAARO CNC(=O)c1ccc(/C=C\C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000103500398 219307901 /nfs/dbraw/zinc/30/79/01/219307901.db2.gz XNSDIUVSPZSZNC-QIENPNARSA-N 1 0 329.444 2.050 50 0 EEAARO Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1c[nH]c(C2CC[NH2+]CC2)n1 ZINC000685942608 539990326 /nfs/dbraw/zinc/99/03/26/539990326.db2.gz PPMUWABAJJAPPV-HNNXBMFYSA-N 1 0 342.447 2.194 50 0 EEAARO Cc1ccccc1N1CCN(c2ncccc2C[NH2+][C@H](C)CO)CC1 ZINC000071404095 215769005 /nfs/dbraw/zinc/76/90/05/215769005.db2.gz GIVHMQXJSJOQEC-QGZVFWFLSA-N 1 0 340.471 2.187 50 0 EEAARO Nc1cc(N)[nH+]c(SCC(=O)Nc2ccccc2C(F)(F)F)n1 ZINC000000422480 209585033 /nfs/dbraw/zinc/58/50/33/209585033.db2.gz JYYBPEXUAUXXRR-UHFFFAOYSA-N 1 0 343.334 2.391 50 0 EEAARO c1ccc(SCCN2CCN([C@@H]3C[NH+]4CCC3CC4)CC2)cc1 ZINC000072164335 216053514 /nfs/dbraw/zinc/05/35/14/216053514.db2.gz CEDDOFNMZZAWQY-LJQANCHMSA-N 1 0 331.529 2.491 50 0 EEAARO CCc1nccn1CCNc1nc(-c2ccncc2)nc2c1C[NH2+]C2 ZINC000072169690 216061143 /nfs/dbraw/zinc/06/11/43/216061143.db2.gz QWFCNMKWGWLHSS-UHFFFAOYSA-N 1 0 335.415 2.013 50 0 EEAARO Oc1cc2c(cc1-n1ccnc1-c1cc3n(n1)CC[NH2+]C3)CCCC2 ZINC000072409431 216201422 /nfs/dbraw/zinc/20/14/22/216201422.db2.gz CGZMWWQLPKQQBN-UHFFFAOYSA-N 1 0 335.411 2.423 50 0 EEAARO Oc1cc(F)c(-n2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1F ZINC000072425761 216216240 /nfs/dbraw/zinc/21/62/40/216216240.db2.gz UPDRZOIZAUDJFL-UHFFFAOYSA-N 1 0 331.326 2.213 50 0 EEAARO CC(C)c1ccc(-n2cc(CN3CC[C@](O)(C[NH+](C)C)C3)cn2)cc1 ZINC000072431857 216225606 /nfs/dbraw/zinc/22/56/06/216225606.db2.gz ATRSYYLRVIKVNH-FQEVSTJZSA-N 1 0 342.487 2.494 50 0 EEAARO CCn1c(CCNC(=O)N2CC[C@H](C[NH+](C)C)C2)nc2ccccc21 ZINC000129767912 223089661 /nfs/dbraw/zinc/08/96/61/223089661.db2.gz TZMPTOASQJAEFU-OAHLLOKOSA-N 1 0 343.475 2.192 50 0 EEAARO CCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC(=O)N3CCCOC)C2)[nH]1 ZINC000072468495 216247420 /nfs/dbraw/zinc/24/74/20/216247420.db2.gz NGDZMIQNCLCDJF-DOTOQJQBSA-N 1 0 348.491 2.130 50 0 EEAARO COc1ccc(CN2CC[N@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1O ZINC000022919550 212333878 /nfs/dbraw/zinc/33/38/78/212333878.db2.gz CHFXHZUHYZQQBO-INIZCTEOSA-N 1 0 336.476 2.316 50 0 EEAARO CCn1ccnc1CN1CC[N@H+](CCc2ccccc2)[C@H](CCO)C1 ZINC000022851533 212329743 /nfs/dbraw/zinc/32/97/43/212329743.db2.gz KVCPJLNIRYWAIQ-LJQANCHMSA-N 1 0 342.487 2.014 50 0 EEAARO CC1CC[NH+]([C@H](CNC(=O)c2nccnc2N)c2cccs2)CC1 ZINC000022681363 212315982 /nfs/dbraw/zinc/31/59/82/212315982.db2.gz OOXPXNVAPFEFFT-CYBMUJFWSA-N 1 0 345.472 2.323 50 0 EEAARO CN(Cc1ccccc1Cl)C(=O)NCC[N@@H+]1CCCC[C@@H]1CO ZINC000426669158 241322575 /nfs/dbraw/zinc/32/25/75/241322575.db2.gz SDWPCVLZSLTCRJ-OAHLLOKOSA-N 1 0 339.867 2.328 50 0 EEAARO CCc1nc(C)c(CNC(=O)c2ccc(OC)c(OCC[NH3+])c2)s1 ZINC000426545161 241305860 /nfs/dbraw/zinc/30/58/60/241305860.db2.gz RMRGUUGXLNYGGN-UHFFFAOYSA-N 1 0 349.456 2.290 50 0 EEAARO Cc1cnc(CSc2nnc([C@H]([NH3+])Cc3ccccc3)n2C)cn1 ZINC000426548754 241308976 /nfs/dbraw/zinc/30/89/76/241308976.db2.gz JQWNBUDGQVUAMH-OAHLLOKOSA-N 1 0 340.456 2.448 50 0 EEAARO COc1cc(C(=O)N2CCCC3(CCOCC3)C2)ccc1OCC[NH3+] ZINC000426613559 241318228 /nfs/dbraw/zinc/31/82/28/241318228.db2.gz GKCTUCRZCHJEPT-UHFFFAOYSA-N 1 0 348.443 2.066 50 0 EEAARO CSc1ncccc1C(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000223335922 241636431 /nfs/dbraw/zinc/63/64/31/241636431.db2.gz LWNBGRIWKQMXLZ-CQSZACIVSA-N 1 0 335.473 2.177 50 0 EEAARO Cc1cccc(NC(=O)CCc2nc(C3=CC[N@H+](C)CC3)no2)n1 ZINC000020901727 212184639 /nfs/dbraw/zinc/18/46/39/212184639.db2.gz LDCHLPZVBQKAJC-UHFFFAOYSA-N 1 0 327.388 2.063 50 0 EEAARO O=C(Cn1ccc2ccccc21)N[C@H]1COC[C@@H]1[NH+]1CCCCC1 ZINC000252499118 243819640 /nfs/dbraw/zinc/81/96/40/243819640.db2.gz RVSURRYTNNCCLB-WMZOPIPTSA-N 1 0 327.428 2.011 50 0 EEAARO COCc1nc([C@H]2C[C@@H]([NH2+]C3CSCCSC3)C2)cc(=O)[nH]1 ZINC000253535628 244009865 /nfs/dbraw/zinc/00/98/65/244009865.db2.gz KHMFSFJNWQMRSB-PHIMTYICSA-N 1 0 341.502 2.013 50 0 EEAARO Cc1cc(C)c2[nH]c(CN3CCN([C@@H]4CC[NH2+]C4)CC3)cc(=O)c2c1 ZINC000253536655 244014304 /nfs/dbraw/zinc/01/43/04/244014304.db2.gz ZWESSBBHUYWEEG-QGZVFWFLSA-N 1 0 340.471 2.037 50 0 EEAARO Cc1noc(C)c1CCc1nc(-c2c(C)ncc3c2CC[NH2+]C3)no1 ZINC000019770859 212063540 /nfs/dbraw/zinc/06/35/40/212063540.db2.gz KTBJPOSEACPATF-UHFFFAOYSA-N 1 0 339.399 2.476 50 0 EEAARO COC(=O)c1ccc(CN2CCC[C@@H]([NH+]3CCC(CO)CC3)C2)cc1 ZINC000019770260 212062911 /nfs/dbraw/zinc/06/29/11/212062911.db2.gz PEVUQDFZVMVLBI-LJQANCHMSA-N 1 0 346.471 2.142 50 0 EEAARO c1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)n[nH]1 ZINC000019745302 212060682 /nfs/dbraw/zinc/06/06/82/212060682.db2.gz CXBGXZOBGQELTQ-LJQANCHMSA-N 1 0 325.460 2.196 50 0 EEAARO CCN(C[C@@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)COC ZINC000012386202 211364341 /nfs/dbraw/zinc/36/43/41/211364341.db2.gz LVSCOZLHKBAZTE-GOSISDBHSA-N 1 0 348.487 2.445 50 0 EEAARO CNC(=O)C1CC[NH+](CC(=O)N(Cc2ccccc2)C(C)(C)C)CC1 ZINC000012334528 211350843 /nfs/dbraw/zinc/35/08/43/211350843.db2.gz JLWBGUQBKLACLD-UHFFFAOYSA-N 1 0 345.487 2.272 50 0 EEAARO O=C(CC(F)(F)F)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1cccnc1)C2 ZINC000091391154 218000055 /nfs/dbraw/zinc/00/00/55/218000055.db2.gz IEOXEWFJHNOKGV-UONOGXRCSA-N 1 0 327.350 2.457 50 0 EEAARO CCOCC[NH+]1CCC2(CCC(=O)N(CCc3ccccn3)C2)CC1 ZINC000091624600 218033542 /nfs/dbraw/zinc/03/35/42/218033542.db2.gz MRTKMPCHRNNNIQ-UHFFFAOYSA-N 1 0 345.487 2.365 50 0 EEAARO Cc1c[nH]c(C[NH+]2CCC3(CCC(=O)N(C4CC4)C3)CC2)c(C)c1=O ZINC000091650894 218040088 /nfs/dbraw/zinc/04/00/88/218040088.db2.gz GKVVPUKYEDXHCJ-UHFFFAOYSA-N 1 0 343.471 2.359 50 0 EEAARO O=C(NCc1ccco1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000091755514 218059370 /nfs/dbraw/zinc/05/93/70/218059370.db2.gz XIVPEICOJKQNCY-NVXWUHKLSA-N 1 0 340.427 2.481 50 0 EEAARO COc1ccc2c(c1)OC[C@H](Cc1cc(N3CCCC3)nc(N)[nH+]1)C2 ZINC000091974143 218097069 /nfs/dbraw/zinc/09/70/69/218097069.db2.gz DUZFVCDVRBOHRH-ZDUSSCGKSA-N 1 0 340.427 2.461 50 0 EEAARO Cc1nn(CCNC(=O)CC[C@H]2CCC[N@@H+](C)C2)c(C)c1Cl ZINC000095352736 218287544 /nfs/dbraw/zinc/28/75/44/218287544.db2.gz RSSJNUOFIFBTGV-CQSZACIVSA-N 1 0 326.872 2.392 50 0 EEAARO CC(C)[C@@H]1CN(C(=O)c2ccc(SCCO)cc2)C[C@H]1[NH+](C)C ZINC000095361150 218294093 /nfs/dbraw/zinc/29/40/93/218294093.db2.gz YGSZZZBEBCQHEA-DLBZAZTESA-N 1 0 336.501 2.429 50 0 EEAARO O=C(c1c[nH]c(=O)c(Cl)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095363821 218297371 /nfs/dbraw/zinc/29/73/71/218297371.db2.gz MZOZHWUHBIILET-UKRRQHHQSA-N 1 0 349.862 2.365 50 0 EEAARO Cc1nc([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)cc(=O)[nH]1 ZINC000095368385 218301367 /nfs/dbraw/zinc/30/13/67/218301367.db2.gz FHWYDPJIYGIMKD-INIZCTEOSA-N 1 0 346.475 2.050 50 0 EEAARO C[NH+](C)CCNC(=O)COc1ccc(Cl)cc1Br ZINC000006544210 210649892 /nfs/dbraw/zinc/64/98/92/210649892.db2.gz MUSIEKGEAUOVEV-UHFFFAOYSA-N 1 0 335.629 2.159 50 0 EEAARO Cc1cc[nH+]c(NC[C@H]2CCN(Cc3nnnn3-c3ccccc3)C2)c1 ZINC000097200726 218991275 /nfs/dbraw/zinc/99/12/75/218991275.db2.gz RDYQZNDAMQZHNF-MRXNPFEDSA-N 1 0 349.442 2.300 50 0 EEAARO CCCCCC[C@]1(C(=O)OCC)C[C@H](CSC(N)=[NH2+])OC1=O ZINC000004813757 210284419 /nfs/dbraw/zinc/28/44/19/210284419.db2.gz GYOMEBUCSCBPAJ-IAQYHMDHSA-N 1 0 330.450 2.448 50 0 EEAARO O=C(Cc1[nH]nc2ccccc21)N1C[C@H]2CC[C@H](C[N@H+]2CC2CC2)C1 ZINC000299795114 258099946 /nfs/dbraw/zinc/09/99/46/258099946.db2.gz KZTKJDHAIWJRKC-HZPDHXFCSA-N 1 0 338.455 2.438 50 0 EEAARO CCOCCCNC(=O)C1(CCO)CC[NH+](Cc2ccccc2)CC1 ZINC000299803888 258105834 /nfs/dbraw/zinc/10/58/34/258105834.db2.gz JNCSNSLERZXRTJ-UHFFFAOYSA-N 1 0 348.487 2.194 50 0 EEAARO COC(=O)CCCC[NH+]1CCC2(C[C@H](c3ccccc3)C(=O)N2)CC1 ZINC000095511804 277315648 /nfs/dbraw/zinc/31/56/48/277315648.db2.gz MWNSWJDLXYFHBX-QGZVFWFLSA-N 1 0 344.455 2.468 50 0 EEAARO CC1(C)Cc2nc3ncn(CC[NH+]4CCCCC4)c(=O)c3cc2CO1 ZINC000013733213 278399653 /nfs/dbraw/zinc/39/96/53/278399653.db2.gz LQKZPRVLKQNDLM-UHFFFAOYSA-N 1 0 342.443 2.129 50 0 EEAARO CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000122282773 323324885 /nfs/dbraw/zinc/32/48/85/323324885.db2.gz BOUOGAAGPBLTPW-RHSMWYFYSA-N 1 0 347.434 2.269 50 0 EEAARO O=S(=O)(C1CC1)N1CCC([NH2+]C2CC(c3ccccc3)C2)CC1 ZINC000127872231 323327246 /nfs/dbraw/zinc/32/72/46/323327246.db2.gz KUQDUZPHSNMWOM-UHFFFAOYSA-N 1 0 334.485 2.479 50 0 EEAARO CC[N@H+](C)[C@@H](C)CCNC(=O)N1CCC(O)(c2ccccc2)CC1 ZINC000534649193 468269642 /nfs/dbraw/zinc/26/96/42/468269642.db2.gz KTPLNSFTAMRLPA-INIZCTEOSA-N 1 0 333.476 2.410 50 0 EEAARO COc1ccccc1OC[C@H](C)NC(=O)N1CC([NH+]2CCCCC2)C1 ZINC000534658766 468270444 /nfs/dbraw/zinc/27/04/44/468270444.db2.gz YWKAZNPYHDXKES-HNNXBMFYSA-N 1 0 347.459 2.342 50 0 EEAARO CN1CC[NH+](CC2(CNC(=O)c3sccc3Cl)CC2)CC1 ZINC000534655958 468270912 /nfs/dbraw/zinc/27/09/12/468270912.db2.gz PMKBGXUEQZQOCP-UHFFFAOYSA-N 1 0 327.881 2.159 50 0 EEAARO CC[C@H](CNC(=O)N1CC(Oc2ccccc2OC)C1)[N@H+](C)CC ZINC000534663934 468271922 /nfs/dbraw/zinc/27/19/22/468271922.db2.gz CZCOMCVGKXXCKX-CQSZACIVSA-N 1 0 335.448 2.198 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc2cc(OC)c(OC)cc2[nH]1 ZINC000005428049 462659942 /nfs/dbraw/zinc/65/99/42/462659942.db2.gz RCXHMFFBNAHDOE-ZDUSSCGKSA-N 1 0 331.416 2.399 50 0 EEAARO Cn1nccc1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000006699321 462698695 /nfs/dbraw/zinc/69/86/95/462698695.db2.gz KBKUQVUEAIEWRT-UHFFFAOYSA-N 1 0 328.460 2.147 50 0 EEAARO COC[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)Nc2cnn(C)c2)cc1 ZINC000065424142 462769005 /nfs/dbraw/zinc/76/90/05/462769005.db2.gz ZMSCGZAOPNPZTN-QGZVFWFLSA-N 1 0 328.416 2.283 50 0 EEAARO O=C(C[NH+]1CCCCCCC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000008338814 462780630 /nfs/dbraw/zinc/78/06/30/462780630.db2.gz CCWBQUTVYVHAGY-UHFFFAOYSA-N 1 0 333.388 2.330 50 0 EEAARO CC(C)c1cc(CNC(=O)c2ccc(N3CC[NH+](C)CC3)cc2)no1 ZINC000065504217 462783754 /nfs/dbraw/zinc/78/37/54/462783754.db2.gz KJACHVYBVICWEB-UHFFFAOYSA-N 1 0 342.443 2.480 50 0 EEAARO CN(C)C(=O)[C@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccccc1 ZINC000065529730 462790719 /nfs/dbraw/zinc/79/07/19/462790719.db2.gz QWTBCKSEMYLWJL-GOSISDBHSA-N 1 0 331.460 2.245 50 0 EEAARO CC(C)c1cc(C(=O)N[C@H]2C[N@@H+](C3CCOCC3)C[C@@H]2C2CC2)no1 ZINC000091563110 462888017 /nfs/dbraw/zinc/88/80/17/462888017.db2.gz NEZVABBQZICRSD-WBVHZDCISA-N 1 0 347.459 2.417 50 0 EEAARO CCn1nc(C(C)C)cc1C(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000091636547 462895907 /nfs/dbraw/zinc/89/59/07/462895907.db2.gz ZPWHABNKVBFBEW-HNNXBMFYSA-N 1 0 336.480 2.209 50 0 EEAARO CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@@H]([NH2+]CC(C)C)CC2 ZINC000014743438 462931958 /nfs/dbraw/zinc/93/19/58/462931958.db2.gz YMRCJBHTHKRVJY-INIZCTEOSA-N 1 0 340.471 2.394 50 0 EEAARO CC(C)NC(=O)c1cn(C2CC[NH+](Cc3ccsc3)CC2)nn1 ZINC000014964433 462936618 /nfs/dbraw/zinc/93/66/18/462936618.db2.gz UJNJGQLPOIQYNR-UHFFFAOYSA-N 1 0 333.461 2.315 50 0 EEAARO COc1cccc(C(=O)N2CC[NH+]([C@H]3CCCC[C@H]3OC)CC2)c1 ZINC000015722425 462960701 /nfs/dbraw/zinc/96/07/01/462960701.db2.gz DQTCTJOIWIJMOV-ZWKOTPCHSA-N 1 0 332.444 2.411 50 0 EEAARO Cc1ccc(C[N@@H+]2CC[C@@H](NC(=O)c3ccncc3)[C@H](O)C2)c(C)c1 ZINC000077322510 462967884 /nfs/dbraw/zinc/96/78/84/462967884.db2.gz FTYVFIPRSFUQFJ-RTBURBONSA-N 1 0 339.439 2.064 50 0 EEAARO O[C@@]1(C[NH+]2CCCCC2)CCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077379917 462977485 /nfs/dbraw/zinc/97/74/85/462977485.db2.gz OLBYPYCLRLYWOK-HXUWFJFHSA-N 1 0 340.471 2.295 50 0 EEAARO COc1cc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)ccn1 ZINC000077388801 462978640 /nfs/dbraw/zinc/97/86/40/462978640.db2.gz GVUYZDSZYGAEET-UHFFFAOYSA-N 1 0 331.441 2.500 50 0 EEAARO C[NH+]1CCN(c2ccc(Cl)cc2NC(=O)c2cnccn2)CC1 ZINC000021321244 463034984 /nfs/dbraw/zinc/03/49/84/463034984.db2.gz WLQHRIOXDAGJIV-UHFFFAOYSA-N 1 0 331.807 2.134 50 0 EEAARO COc1nccnc1N1CCC(c2nccn2CCC[NH+](C)C)CC1 ZINC000095500887 463094564 /nfs/dbraw/zinc/09/45/64/463094564.db2.gz MNMOLOIJKPPECJ-UHFFFAOYSA-N 1 0 344.463 2.017 50 0 EEAARO CNC(=O)c1ccc(OC2CC[NH+](Cc3ccccn3)CC2)cc1 ZINC000095502853 463096647 /nfs/dbraw/zinc/09/66/47/463096647.db2.gz 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Cc1cc(C)n(CCCNC(=O)c2cccc([C@@H]3CC[NH2+]C3)c2)n1 ZINC000072162289 216050223 /nfs/dbraw/zinc/05/02/23/216050223.db2.gz BPGSZAZFEAVUQF-GOSISDBHSA-N 1 0 326.444 2.397 50 0 EEAARO Cn1cc2ncn(CC[C@H]3CC[N@H+](Cc4ccccc4)C3)c(=O)c2n1 ZINC000072153305 216042635 /nfs/dbraw/zinc/04/26/35/216042635.db2.gz GSGFKKDAWVXORK-MRXNPFEDSA-N 1 0 337.427 2.042 50 0 EEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)Cc2cccc3ccccc32)C1 ZINC000072154969 216043688 /nfs/dbraw/zinc/04/36/88/216043688.db2.gz BCNFMWLBZAKSJE-HXUWFJFHSA-N 1 0 326.440 2.297 50 0 EEAARO COc1ccccc1[C@H]1CN(c2noc(C)n2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072165338 216054361 /nfs/dbraw/zinc/05/43/61/216054361.db2.gz VKQPJFYZZRNGLZ-KBAYOESNSA-N 1 0 340.427 2.453 50 0 EEAARO CNC(=O)c1ccc(-c2cc(NCC[NH+](C)C)nc3[nH]ccc32)o1 ZINC000072167041 216056721 /nfs/dbraw/zinc/05/67/21/216056721.db2.gz RUUALYOVPPYGJX-UHFFFAOYSA-N 1 0 327.388 2.156 50 0 EEAARO Cc1ncc2c(c1CNC(=O)c1cc(Cl)ccc1O)CC[NH2+]C2 ZINC000072168355 216058936 /nfs/dbraw/zinc/05/89/36/216058936.db2.gz 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/nfs/dbraw/zinc/33/67/67/212336767.db2.gz AWKBLTNZHCBRKV-HNNXBMFYSA-N 1 0 342.915 2.297 50 0 EEAARO CSc1ccc(CC(=O)N2CCN(C3CC[NH+](C)CC3)CC2)cc1 ZINC000215856484 241150020 /nfs/dbraw/zinc/15/00/20/241150020.db2.gz QCHFMVFEVYNBEX-UHFFFAOYSA-N 1 0 347.528 2.189 50 0 EEAARO C[C@]1(C(N)=O)CCC[N@H+](Cc2sc(N3CCCC3)nc2Cl)C1 ZINC000215381794 241123447 /nfs/dbraw/zinc/12/34/47/241123447.db2.gz SLLPHNHYDZEZNE-HNNXBMFYSA-N 1 0 342.896 2.484 50 0 EEAARO Cc1cnn(Cc2cccc(F)c2)c1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000426635593 241319542 /nfs/dbraw/zinc/31/95/42/241319542.db2.gz WBJRSENUSOHGGR-OAHLLOKOSA-N 1 0 331.395 2.334 50 0 EEAARO COCCN(Cc1cccc(OC)c1)C(=O)NC[C@@H]1CCCC[N@@H+]1C ZINC000426425473 241284629 /nfs/dbraw/zinc/28/46/29/241284629.db2.gz QLCHNFZNKBZAPG-KRWDZBQOSA-N 1 0 349.475 2.338 50 0 EEAARO O=C(N[C@H]1CCC[N@@H+](C2CCCCC2)C1)c1cnc2cccnn21 ZINC000426597188 241312763 /nfs/dbraw/zinc/31/27/63/241312763.db2.gz HJLZASOIMNVMLF-AWEZNQCLSA-N 1 0 327.432 2.256 50 0 EEAARO Nc1nc(CCCNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cs1 ZINC000219266720 241373238 /nfs/dbraw/zinc/37/32/38/241373238.db2.gz NBEGADXFLHPEKP-INIZCTEOSA-N 1 0 344.484 2.439 50 0 EEAARO O=C(CCn1ccccc1=O)N1CCC[N@H+](Cc2cccs2)CC1 ZINC000075615621 216647962 /nfs/dbraw/zinc/64/79/62/216647962.db2.gz WVIHYOITAMBPAI-UHFFFAOYSA-N 1 0 345.468 2.034 50 0 EEAARO CCC[NH+]1CCN(c2nc(-c3cccc(OC)c3OC)no2)CC1 ZINC000021630674 212235238 /nfs/dbraw/zinc/23/52/38/212235238.db2.gz UEVYUWYSVYPBNY-UHFFFAOYSA-N 1 0 332.404 2.286 50 0 EEAARO O=C(c1ccccc1-c1ccccc1)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000244718941 243065691 /nfs/dbraw/zinc/06/56/91/243065691.db2.gz LTUNBOKDYSHMLT-SFHVURJKSA-N 1 0 335.451 2.473 50 0 EEAARO COc1ccccc1CNC(=O)CC[N@H+](C)[C@@H](C)c1ccncn1 ZINC000244633541 243046258 /nfs/dbraw/zinc/04/62/58/243046258.db2.gz GESPMYKHDYCSKD-AWEZNQCLSA-N 1 0 328.416 2.185 50 0 EEAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCc2cc(F)cc(C(F)(F)F)c2)C1 ZINC000244874978 243093463 /nfs/dbraw/zinc/09/34/63/243093463.db2.gz XKJQFQDHIMWYCN-CQSZACIVSA-N 1 0 347.356 2.097 50 0 EEAARO Cc1cc(N2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)cc[nH+]1 ZINC000244723539 243069844 /nfs/dbraw/zinc/06/98/44/243069844.db2.gz MDLDJEMWNQNFAU-KRWDZBQOSA-N 1 0 338.455 2.217 50 0 EEAARO COc1cccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)c1 ZINC000019794764 212069264 /nfs/dbraw/zinc/06/92/64/212069264.db2.gz XPTMIANDLJCJSL-SFHVURJKSA-N 1 0 342.439 2.257 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000012391435 211366976 /nfs/dbraw/zinc/36/69/76/211366976.db2.gz ICNSGXVLGCIEOB-CQSZACIVSA-N 1 0 339.399 2.432 50 0 EEAARO CC(C)=CC[N@H+]1CCc2nnc([C@@H](C)NC(=O)c3ccco3)n2CC1 ZINC000012048645 211283066 /nfs/dbraw/zinc/28/30/66/211283066.db2.gz FIINPPJPMOVNJM-CQSZACIVSA-N 1 0 343.431 2.186 50 0 EEAARO Cc1nc(N(C)C)ncc1C(=O)N1CCCC[C@H]1CC[NH+]1CCCC1 ZINC000091270613 217988657 /nfs/dbraw/zinc/98/86/57/217988657.db2.gz RFXKEAFWPJFMMT-INIZCTEOSA-N 1 0 345.491 2.332 50 0 EEAARO Cc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](C2CCN(C)CC2)C1 ZINC000011872981 211261055 /nfs/dbraw/zinc/26/10/55/211261055.db2.gz FVCVLNZMBUXOMS-SFHVURJKSA-N 1 0 329.488 2.212 50 0 EEAARO COCC(=O)N[C@H]1C[N@H+](Cc2ccc(OC)c(F)c2)C[C@@H]1C(C)C ZINC000091644456 218038031 /nfs/dbraw/zinc/03/80/31/218038031.db2.gz BYPJTKLKUIZSNK-ZBFHGGJFSA-N 1 0 338.423 2.053 50 0 EEAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(Cc2c[nH]c(CC3CCCC3)n2)C1 ZINC000091872195 218081100 /nfs/dbraw/zinc/08/11/00/218081100.db2.gz OETQYVPGLWQOQB-SJORKVTESA-N 1 0 334.508 2.134 50 0 EEAARO CCOC(=O)c1c(C)[nH]c(C(=O)NCCC[NH+]2CCCCC2)c1C ZINC000010086844 211146817 /nfs/dbraw/zinc/14/68/17/211146817.db2.gz OSNUKERTCHRBNB-UHFFFAOYSA-N 1 0 335.448 2.414 50 0 EEAARO CCN1CCN(C(=O)C2CC[NH+](Cc3ccccc3OC)CC2)CC1 ZINC000009659837 211111664 /nfs/dbraw/zinc/11/16/64/211111664.db2.gz DBJNAUMMCHVWSA-UHFFFAOYSA-N 1 0 345.487 2.071 50 0 EEAARO CCO[C@@H]1C[C@@H](O)C12CC[NH+](Cc1c(CC)nn(C)c1CC)CC2 ZINC000093614527 218236326 /nfs/dbraw/zinc/23/63/26/218236326.db2.gz HWDIFFNVTDGDLS-QZTJIDSGSA-N 1 0 335.492 2.297 50 0 EEAARO C[N@@H+]1CCCCC[C@H]1C(=O)NCc1nncn1CCc1ccccc1 ZINC000095356541 218291101 /nfs/dbraw/zinc/29/11/01/218291101.db2.gz LDZATWVBIZXBPQ-KRWDZBQOSA-N 1 0 341.459 2.011 50 0 EEAARO COCCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C1Cc3ccccc3C1)C2 ZINC000095358588 218291383 /nfs/dbraw/zinc/29/13/83/218291383.db2.gz CIBOLBSUUSOWEM-MAUKXSAKSA-N 1 0 328.456 2.113 50 0 EEAARO COCCC[N@@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)CCC3=O)C1 ZINC000096138262 218622280 /nfs/dbraw/zinc/62/22/80/218622280.db2.gz VECSBPMIYLIGNQ-AWEZNQCLSA-N 1 0 345.443 2.295 50 0 EEAARO CC(C)[C@@H]([NH3+])C(=O)N1CCN(C(=O)C[C@@H](C)CC(C)(C)C)[C@H](C)C1 ZINC000004955556 210339172 /nfs/dbraw/zinc/33/91/72/210339172.db2.gz HZQRNMNPKLAHMS-BFYDXBDKSA-N 1 0 339.524 2.491 50 0 EEAARO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3cnc(N4CCOCC4)s3)C2)n1 ZINC000097514932 219032180 /nfs/dbraw/zinc/03/21/80/219032180.db2.gz HCCZGFNBUFBUSB-OAHLLOKOSA-N 1 0 347.488 2.240 50 0 EEAARO Cc1c(CNC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)cnn1C ZINC000119503759 221335883 /nfs/dbraw/zinc/33/58/83/221335883.db2.gz CCOHKICFYOVHLF-SFHVURJKSA-N 1 0 341.459 2.192 50 0 EEAARO O=C(CCN1CCOCC1)NC[C@H](c1ccccc1)[NH+]1CCCCC1 ZINC000299778541 258088339 /nfs/dbraw/zinc/08/83/39/258088339.db2.gz QQRGVPTUMIEDPG-LJQANCHMSA-N 1 0 345.487 2.052 50 0 EEAARO CN(Cc1cscn1)Cc1cccc(OCCN2CC[NH2+]CC2)c1 ZINC000299780245 258089636 /nfs/dbraw/zinc/08/96/36/258089636.db2.gz BUMSLRHQJOVSJA-UHFFFAOYSA-N 1 0 346.500 2.059 50 0 EEAARO CC(C)c1csc(CCNC(=O)C[C@@H]2C[N@H+](C(C)C)CCO2)n1 ZINC000299789388 258095595 /nfs/dbraw/zinc/09/55/95/258095595.db2.gz YYMVSJFUTFMTMV-CQSZACIVSA-N 1 0 339.505 2.425 50 0 EEAARO COCCN1C[C@@H](C[NH+]2CCC(c3cccc(O)c3)CC2)CC1=O ZINC000299799228 258102983 /nfs/dbraw/zinc/10/29/83/258102983.db2.gz RMGUYAJEHCIKBL-OAHLLOKOSA-N 1 0 332.444 2.067 50 0 EEAARO CO[C@]12CC[N@H+](CCc3nc4cc(F)ccc4[nH]3)[C@H]1C[C@@H](O)CC2 ZINC000299760065 258077609 /nfs/dbraw/zinc/07/76/09/258077609.db2.gz UWQIMXLPWZGIEI-QANKJYHBSA-N 1 0 333.407 2.249 50 0 EEAARO CN1CC2(CCC1=O)CC[NH+](C[C@@H]1COc3ccccc3O1)CC2 ZINC000092065132 273867522 /nfs/dbraw/zinc/86/75/22/273867522.db2.gz MVYCLIBCNFDKLX-OAHLLOKOSA-N 1 0 330.428 2.161 50 0 EEAARO [NH3+]C1CCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)CC1 ZINC000036753707 303363425 /nfs/dbraw/zinc/36/34/25/303363425.db2.gz IMYITQIHBGUKQF-UHFFFAOYSA-N 1 0 342.770 2.471 50 0 EEAARO Cc1cnc(C(=O)Nc2cc(Cl)ccc2N2CC[NH+](C)CC2)cn1 ZINC000006788082 462706107 /nfs/dbraw/zinc/70/61/07/462706107.db2.gz CHWYWIAWYWUZED-UHFFFAOYSA-N 1 0 345.834 2.443 50 0 EEAARO CN(Cc1nc(-c2ccccn2)no1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000065396473 462764227 /nfs/dbraw/zinc/76/42/27/462764227.db2.gz NCPHHDLYWHQIPY-AWEZNQCLSA-N 1 0 343.431 2.355 50 0 EEAARO Cc1ccc(O)c(C[N@@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)n1 ZINC000065406862 462766024 /nfs/dbraw/zinc/76/60/24/462766024.db2.gz GLUANOJSVQREGO-WMLDXEAASA-N 1 0 342.395 2.175 50 0 EEAARO Cc1ccc(S(=O)(=O)N2CCCSC[C@H]2C[NH+](C)C)cc1C ZINC000090608947 462802387 /nfs/dbraw/zinc/80/23/87/462802387.db2.gz OVNQXBQMHIFULN-OAHLLOKOSA-N 1 0 342.530 2.361 50 0 EEAARO C[NH+](C)CCCn1ccc2c(cnc3nc(-c4ccccc4)nn32)c1=O ZINC000013686003 462900444 /nfs/dbraw/zinc/90/04/44/462900444.db2.gz KGTSCNJSZFQOKR-UHFFFAOYSA-N 1 0 348.410 2.058 50 0 EEAARO O=C(CCn1cccn1)N[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000015079636 462940719 /nfs/dbraw/zinc/94/07/19/462940719.db2.gz PAALRQUXZFESDO-SFHVURJKSA-N 1 0 326.444 2.097 50 0 EEAARO COc1cccc(C(=O)N2CC[NH+]([C@@H]3CCCC[C@H]3OC)CC2)c1 ZINC000015722430 462961318 /nfs/dbraw/zinc/96/13/18/462961318.db2.gz DQTCTJOIWIJMOV-QZTJIDSGSA-N 1 0 332.444 2.411 50 0 EEAARO CCC(=O)N1c2ccccc2C[C@@H]1C(=O)NCCC[NH+]1CCCCC1 ZINC000015773617 462962276 /nfs/dbraw/zinc/96/22/76/462962276.db2.gz QCCXWKJCFHGOBF-GOSISDBHSA-N 1 0 343.471 2.347 50 0 EEAARO O=C(Cc1ccc(Cl)cc1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077423435 462983756 /nfs/dbraw/zinc/98/37/56/462983756.db2.gz BDMFMNKLJINGMW-GOSISDBHSA-N 1 0 336.863 2.332 50 0 EEAARO C[C@H]([NH2+]CCn1c(=O)oc2cccnc21)c1nc2ccccc2n1C ZINC000120342157 462988562 /nfs/dbraw/zinc/98/85/62/462988562.db2.gz ZTZBZKOIGZNNQA-LBPRGKRZSA-N 1 0 337.383 2.227 50 0 EEAARO Oc1ccccc1N1CC[NH+](C[C@@H](O)COCc2ccccc2)CC1 ZINC000023387009 463066554 /nfs/dbraw/zinc/06/65/54/463066554.db2.gz HGLOZQSXFWXVHK-GOSISDBHSA-N 1 0 342.439 2.092 50 0 EEAARO Cc1cc(C)c2c(ncnc2N2CCCO[C@@H](C[NH+]3CCCC3)C2)n1 ZINC000095354576 463067911 /nfs/dbraw/zinc/06/79/11/463067911.db2.gz GPFZNRVEHJDLED-INIZCTEOSA-N 1 0 341.459 2.333 50 0 EEAARO O=c1[nH]c(NCCC[NH+]2CCCC2)nc2c1Cc1ccccc1OC2 ZINC000095511808 463098723 /nfs/dbraw/zinc/09/87/23/463098723.db2.gz YCWOIGDMQDZNMD-UHFFFAOYSA-N 1 0 340.427 2.151 50 0 EEAARO c1cc2ncnc(N3CCC([N@@H+]4CCc5n[nH]cc5C4)CC3)c2s1 ZINC000095515464 463100482 /nfs/dbraw/zinc/10/04/82/463100482.db2.gz CKTPYPRVUWLGEE-UHFFFAOYSA-N 1 0 340.456 2.442 50 0 EEAARO C[C@@H](C(=O)NCc1ccc(CN2CCOCC2)cc1)[NH+]1CCCCC1 ZINC000025404915 463122838 /nfs/dbraw/zinc/12/28/38/463122838.db2.gz KYLLZYHLEXRVCD-KRWDZBQOSA-N 1 0 345.487 2.009 50 0 EEAARO C[NH+](C)[C@@H](CNC(=O)C1CCN(C(=O)C2CC2)CC1)c1ccsc1 ZINC000025811940 463139669 /nfs/dbraw/zinc/13/96/69/463139669.db2.gz VNKRTMYGFCLORI-INIZCTEOSA-N 1 0 349.500 2.116 50 0 EEAARO C[NH+](C)CCCN[C@@H](NC(=O)c1cccs1)C(=O)c1ccccc1 ZINC000028293864 463222102 /nfs/dbraw/zinc/22/21/02/463222102.db2.gz WHFDAPYNIOBHTJ-KRWDZBQOSA-N 1 0 345.468 2.228 50 0 EEAARO Cc1cc(NC(=O)CN2CC[C@@H](CNc3cccc(C)[nH+]3)C2)no1 ZINC000097200837 463345103 /nfs/dbraw/zinc/34/51/03/463345103.db2.gz SLQZRXFNWKOUNG-AWEZNQCLSA-N 1 0 329.404 2.059 50 0 EEAARO CNc1nc(N2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)cc(C)[nH+]1 ZINC000071730249 463419352 /nfs/dbraw/zinc/41/93/52/463419352.db2.gz DXOCUMLYVUFCMA-OAHLLOKOSA-N 1 0 331.464 2.300 50 0 EEAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000071776559 463424179 /nfs/dbraw/zinc/42/41/79/463424179.db2.gz CXHPZIAGCVSTAX-UHFFFAOYSA-N 1 0 336.386 2.324 50 0 EEAARO CCOc1ccccc1CN1CC[N@@H+](C2CCOCC2)C[C@H]1CCO ZINC000105624960 463457599 /nfs/dbraw/zinc/45/75/99/463457599.db2.gz PSWOAODZKGYQSO-LJQANCHMSA-N 1 0 348.487 2.133 50 0 EEAARO Cn1ccnc1[C@H]1CCC[N@H+](CCC(=O)NCc2ccccc2F)C1 ZINC000082125961 463516533 /nfs/dbraw/zinc/51/65/33/463516533.db2.gz IIYZJMOQBRXJOU-INIZCTEOSA-N 1 0 344.434 2.445 50 0 EEAARO Cn1cc([C@H]2CCCN2C[C@@H](O)C[N@H+](C)Cc2ccccc2)cn1 ZINC000106655325 463529518 /nfs/dbraw/zinc/52/95/18/463529518.db2.gz KABBRKRJNRVKFT-RBUKOAKNSA-N 1 0 328.460 2.050 50 0 EEAARO CCOc1cc2c(cc1CN(C)[C@@H]1CCS(=O)(=O)C1)O[C@@H](C)C2 ZINC000106745212 463534107 /nfs/dbraw/zinc/53/41/07/463534107.db2.gz MYVRDAKUDRDSQP-SWLSCSKDSA-N 1 0 339.457 2.028 50 0 EEAARO C[NH+](C)[C@@H](CNc1cc(N2CCC[C@H]2CO)ncn1)c1cccs1 ZINC000106905792 463548804 /nfs/dbraw/zinc/54/88/04/463548804.db2.gz XQUISRYLUQKGJQ-KBPBESRZSA-N 1 0 347.488 2.214 50 0 EEAARO COCCOc1cccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c1 ZINC000106907340 463548974 /nfs/dbraw/zinc/54/89/74/463548974.db2.gz CTWGXPLNKGKXNM-QZTJIDSGSA-N 1 0 332.444 2.411 50 0 EEAARO COc1c(C[NH2+][C@@H]2CCCN(c3ncccn3)C2)c(C(C)C)nn1C ZINC000058392228 463589774 /nfs/dbraw/zinc/58/97/74/463589774.db2.gz OJJCDUDPHHKYSZ-CQSZACIVSA-N 1 0 344.463 2.101 50 0 EEAARO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(-n2nccc2C(F)(F)F)c1 ZINC000126413312 463634866 /nfs/dbraw/zinc/63/48/66/463634866.db2.gz ICGSUQVMUNMNHJ-NSHDSACASA-N 1 0 338.333 2.325 50 0 EEAARO CC(C)[N@@H+]1CC[C@@H](CN(C)C(=O)c2cccc(N3CCOCC3)c2)C1 ZINC000222989727 464136202 /nfs/dbraw/zinc/13/62/02/464136202.db2.gz LKRSHKRFDKJVIY-KRWDZBQOSA-N 1 0 345.487 2.326 50 0 EEAARO CC(C)C[C@@H](NC(=O)C1([NH+]2CCCC2)CCCC1)c1ncnn1C ZINC000223389592 464142696 /nfs/dbraw/zinc/14/26/96/464142696.db2.gz NBXOHXJTGNQDAH-OAHLLOKOSA-N 1 0 333.480 2.427 50 0 EEAARO Cn1cnc2cc(C(=O)NC3CC[NH+](Cc4cccnc4)CC3)ccc21 ZINC000270112908 464190409 /nfs/dbraw/zinc/19/04/09/464190409.db2.gz ZNQDIHGGVFJTQH-UHFFFAOYSA-N 1 0 349.438 2.363 50 0 EEAARO CSCC1CC[NH+](CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000252485046 464962437 /nfs/dbraw/zinc/96/24/37/464962437.db2.gz GMYNHVODMTWRQI-UHFFFAOYSA-N 1 0 335.473 2.189 50 0 EEAARO Cc1nnc([C@H]2CCC[N@H+](Cc3cc(C(N)=O)oc3C(C)(C)C)C2)[nH]1 ZINC000252489533 464966118 /nfs/dbraw/zinc/96/61/18/464966118.db2.gz JSVGIWQQJONQJH-LBPRGKRZSA-N 1 0 345.447 2.482 50 0 EEAARO [NH3+][C@H]1C[C@@H](c2nnc(CN3CCOc4ccccc4C3)n2C2CC2)C1 ZINC000253378444 464995809 /nfs/dbraw/zinc/99/58/09/464995809.db2.gz FGGHRPVTSQPYSO-GASCZTMLSA-N 1 0 339.443 2.212 50 0 EEAARO COc1cc(CCC(=O)N(C)C[C@H]2CCC[N@@H+]3CCCC[C@H]23)on1 ZINC000299754364 465884150 /nfs/dbraw/zinc/88/41/50/465884150.db2.gz DCFUEOJYQUYAEN-GDBMZVCRSA-N 1 0 335.448 2.339 50 0 biogenic EEAARO C[C@@H](CCNC(=O)N(CCO)Cc1ccccc1F)[NH+]1CCCC1 ZINC000584888288 468956991 /nfs/dbraw/zinc/95/69/91/468956991.db2.gz TVXXIABYBXQTAX-HNNXBMFYSA-N 1 0 337.439 2.204 50 0 EEAARO COC(=O)N[C@H](C)C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000670438643 485642614 /nfs/dbraw/zinc/64/26/14/485642614.db2.gz WHXORUHUFJQNRU-CQSZACIVSA-N 1 0 325.453 2.036 50 0 EEAARO Cc1ccc2nc(C[N@H+](C)C[C@H]3Cc4ccccc4O3)cc(=O)n2c1 ZINC000670444690 485644446 /nfs/dbraw/zinc/64/44/46/485644446.db2.gz ACQWTVDORGPMLE-QGZVFWFLSA-N 1 0 335.407 2.438 50 0 EEAARO O=C(CSc1ccc(Cl)cc1)NCC[N@H+]1CCCC[C@H]1CO ZINC000670452736 485648267 /nfs/dbraw/zinc/64/82/67/485648267.db2.gz RXYMONDOALIADL-AWEZNQCLSA-N 1 0 342.892 2.395 50 0 EEAARO O[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)cc2)C[C@@H]1N1CCOCC1 ZINC000022918432 678322599 /nfs/dbraw/zinc/32/25/99/678322599.db2.gz CCHIIALAWQMWMX-SFTDATJTSA-N 1 0 338.451 2.231 50 0 EEAARO c1c(-c2ccccn2)nnn1CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000020119660 683539545 /nfs/dbraw/zinc/53/95/45/683539545.db2.gz WYHBCLZNUHCOND-MRXNPFEDSA-N 1 0 327.432 2.089 50 0 EEAARO CC(C)c1ccccc1OC[C@H](O)C[N@@H+]1CCOC2(CCOCC2)C1 ZINC000128391177 683901490 /nfs/dbraw/zinc/90/14/90/683901490.db2.gz HJGRLOUUSKPWQT-QGZVFWFLSA-N 1 0 349.471 2.431 50 0 EEAARO Cc1cc2c(cc1C[NH+]1CCC3(CC1)OCCC[C@H]3O)OCCO2 ZINC000095389181 1215363428 /nfs/dbraw/zinc/36/34/28/1215363428.db2.gz HLLPZQYBFWTKRS-GOSISDBHSA-N 1 0 333.428 2.272 50 0 EEAARO Cc1nonc1CC(=O)N(C)[C@@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000019608136 1229348166 /nfs/dbraw/zinc/34/81/66/1229348166.db2.gz BPLIZOUCFICOQC-QGZVFWFLSA-N 1 0 342.443 2.086 50 0 EEAARO Cc1ncc2c(c1-c1noc(-c3cnn4ccccc34)n1)CC[NH2+]C2 ZINC000019883366 1229429602 /nfs/dbraw/zinc/42/96/02/1229429602.db2.gz MXBIDRCZPAOVOF-UHFFFAOYSA-N 1 0 332.367 2.400 50 0 EEAARO CCn1nc(Cc2ccccc2OC)nc1CN(C)C1CC[NH2+]CC1 ZINC000952860377 796040112 /nfs/dbraw/zinc/04/01/12/796040112.db2.gz NVWCAALAVJUFEQ-UHFFFAOYSA-N 1 0 343.475 2.081 50 0 EEAARO C[C@H](Cn1cccn1)C(=O)NC1CC[NH+](Cc2ccc(F)cc2)CC1 ZINC000952990956 796161462 /nfs/dbraw/zinc/16/14/62/796161462.db2.gz KMWFGBVFOJSJKB-OAHLLOKOSA-N 1 0 344.434 2.439 50 0 EEAARO C[C@@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000822267624 798649847 /nfs/dbraw/zinc/64/98/47/798649847.db2.gz CDPCKWVUDXKLKP-OAHLLOKOSA-N 1 0 327.432 2.321 50 0 EEAARO O=C(NCC[N@H+]1CCC[C@@H](CO)C1)c1[nH]c2ccccc2c1Cl ZINC000828711108 800805999 /nfs/dbraw/zinc/80/59/99/800805999.db2.gz DRKGZJOYWYXIBR-GFCCVEGCSA-N 1 0 335.835 2.255 50 0 EEAARO O[C@@H]1C[N@H+](Cc2cc3c(cc2Cl)OCO3)C[C@H]1Cc1ccncc1 ZINC001529171945 1121354770 /nfs/dbraw/zinc/35/47/70/1121354770.db2.gz BCBZGYPFCUOBQZ-GDBMZVCRSA-N 1 0 346.814 2.499 50 0 EEAARO CSc1nc(N)cc(NCc2nncn2CCc2ccccc2)n1 ZINC001529189145 1121363032 /nfs/dbraw/zinc/36/30/32/1121363032.db2.gz ILIOICUEKFYVRD-UHFFFAOYSA-N 1 0 341.444 2.227 50 0 EEAARO C[NH+](C)C[C@@]1(O)CCCN(Cc2cnc(C3CCCCC3)nc2)C1 ZINC000072479612 282130933 /nfs/dbraw/zinc/13/09/33/282130933.db2.gz PNZMPKWXGLSJCN-IBGZPJMESA-N 1 0 332.492 2.413 50 0 EEAARO CC[C@H](C)c1ccccc1OCC(=O)NCC[NH+]1CCC(O)CC1 ZINC000055109248 214274578 /nfs/dbraw/zinc/27/45/78/214274578.db2.gz AMOHJJZIVPIWLZ-HNNXBMFYSA-N 1 0 334.460 2.152 50 0 EEAARO Cc1nonc1OCC[NH2+]Cc1cnc(-c2cccc(C)c2)nc1 ZINC000055327638 214307516 /nfs/dbraw/zinc/30/75/16/214307516.db2.gz KPHZGJZXBAXJNZ-UHFFFAOYSA-N 1 0 325.372 2.312 50 0 EEAARO Cc1nccn1CCC[NH+]1CCC2(CC1)Nc1ccccc1NC2=O ZINC000082087773 282204605 /nfs/dbraw/zinc/20/46/05/282204605.db2.gz GMZYQSJDGNAIKP-UHFFFAOYSA-N 1 0 339.443 2.480 50 0 EEAARO Cc1ccccc1[C@]1(O)CC[N@H+](CCn2c3ccccc3oc2=O)C1 ZINC000067688434 215184170 /nfs/dbraw/zinc/18/41/70/215184170.db2.gz HNWUREJLMDWPJO-FQEVSTJZSA-N 1 0 338.407 2.496 50 0 EEAARO COc1cccc2c1OCCC[N@H+](Cc1c(CO)cnc(C)c1O)C2 ZINC000067689011 215185563 /nfs/dbraw/zinc/18/55/63/215185563.db2.gz PSJJMAQPSASEHB-UHFFFAOYSA-N 1 0 344.411 2.381 50 0 EEAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC(=O)N(C2CCCCC2)C1 ZINC000002941067 209944098 /nfs/dbraw/zinc/94/40/98/209944098.db2.gz SFOAVDHFSVEABD-MRXNPFEDSA-N 1 0 335.492 2.160 50 0 EEAARO Cn1nc([C@H]2CCCN(Cc3ccccn3)C2)n(-c2ccccc2)c1=O ZINC000067817935 215219299 /nfs/dbraw/zinc/21/92/99/215219299.db2.gz JYBPVSMOAKNFEF-INIZCTEOSA-N 1 0 349.438 2.346 50 0 EEAARO CCn1nc(C)c(C(=O)NC[C@H]2CC[N@H+](Cc3ccco3)C2)c1C ZINC000067818061 215220585 /nfs/dbraw/zinc/22/05/85/215220585.db2.gz HTUJASCZBZBYNA-OAHLLOKOSA-N 1 0 330.432 2.365 50 0 EEAARO CCNC(=O)N1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000067818833 215221195 /nfs/dbraw/zinc/22/11/95/215221195.db2.gz GGRJSMWSWIOMHB-GOSISDBHSA-N 1 0 330.476 2.044 50 0 EEAARO COCC(=O)NC[C@@H]1CC[N@H+](Cc2[nH]c3ccc(F)cc3c2C)C1 ZINC000067833504 215224831 /nfs/dbraw/zinc/22/48/31/215224831.db2.gz BBDKCPQNTWLRMX-ZDUSSCGKSA-N 1 0 333.407 2.200 50 0 EEAARO CC/C=C(\C)C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C)[nH]c2=O)C1 ZINC000067840478 215226044 /nfs/dbraw/zinc/22/60/44/215226044.db2.gz DYMORIHNSHPGRK-CQMBDMNQSA-N 1 0 331.460 2.481 50 0 EEAARO O=C(Cc1ccccn1)NCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000067840850 215226626 /nfs/dbraw/zinc/22/66/26/215226626.db2.gz NYWKLSMEPPZEHT-UHFFFAOYSA-N 1 0 339.439 2.358 50 0 EEAARO O=C(Cc1ccncc1)NCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000067878084 215237921 /nfs/dbraw/zinc/23/79/21/215237921.db2.gz YDALJERFLZKHOA-UHFFFAOYSA-N 1 0 339.439 2.358 50 0 EEAARO COc1ccc(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)cc1O ZINC000039406498 213236129 /nfs/dbraw/zinc/23/61/29/213236129.db2.gz LFAOWCVIVNHESI-QGZVFWFLSA-N 1 0 334.460 2.212 50 0 EEAARO C[N@H+](C[C@@H]1COCCO1)[C@@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000039394589 213235427 /nfs/dbraw/zinc/23/54/27/213235427.db2.gz IRVXMQUMBPYDTB-QZTJIDSGSA-N 1 0 338.492 2.295 50 0 EEAARO COCC[N@@H+](Cc1ccc(F)cc1)C[C@@H](O)COCc1ccco1 ZINC000036095427 213063891 /nfs/dbraw/zinc/06/38/91/213063891.db2.gz SJEQXMGIGTXTOV-QGZVFWFLSA-N 1 0 337.391 2.445 50 0 EEAARO C[NH+](C)[C@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(F)c1 ZINC000032816908 212849165 /nfs/dbraw/zinc/84/91/65/212849165.db2.gz WRCWCGFXOBWDHC-MRXNPFEDSA-N 1 0 327.359 2.132 50 0 EEAARO Cc1cc(C)n(C[C@H](C)Nc2nc(-c3ccncc3)nc3c2C[NH2+]C3)n1 ZINC000072140503 216027522 /nfs/dbraw/zinc/02/75/22/216027522.db2.gz QHWRUQLSHVGFBC-ZDUSSCGKSA-N 1 0 349.442 2.456 50 0 EEAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)CC2)cc1 ZINC000072148277 216034818 /nfs/dbraw/zinc/03/48/18/216034818.db2.gz MWKJKHBNOHFQDB-SFHVURJKSA-N 1 0 332.400 2.280 50 0 EEAARO COc1ccccc1[C@@H]1CN(Cc2ncc[nH]2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072156013 216045634 /nfs/dbraw/zinc/04/56/34/216045634.db2.gz VXCOUCBRZNMNFI-PWIZWCRZSA-N 1 0 338.455 2.481 50 0 EEAARO COc1ccccc1[C@@H]1CN(c2noc(C)n2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072155956 216045911 /nfs/dbraw/zinc/04/59/11/216045911.db2.gz VKQPJFYZZRNGLZ-CGTJXYLNSA-N 1 0 340.427 2.453 50 0 EEAARO Cc1cc(C)n(-c2cccc(CN3CCC[C@@](O)(C[NH+](C)C)C3)c2)n1 ZINC000072407841 216198787 /nfs/dbraw/zinc/19/87/87/216198787.db2.gz OMAXFPXRQFKXQH-HXUWFJFHSA-N 1 0 342.487 2.378 50 0 EEAARO NC(=O)c1ccnc(N[C@H]2CCC[N@@H+](C3Cc4ccccc4C3)C2)c1 ZINC000072420403 216208641 /nfs/dbraw/zinc/20/86/41/216208641.db2.gz RGFGVGXJVGERPI-KRWDZBQOSA-N 1 0 336.439 2.224 50 0 EEAARO Cc1ncsc1CCCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072422964 216211921 /nfs/dbraw/zinc/21/19/21/216211921.db2.gz RVKSFXYFJSMOBG-UHFFFAOYSA-N 1 0 328.445 2.248 50 0 EEAARO Nc1nc2c(c(NCCOCc3ccc(Cl)cc3)n1)CC[NH2+]CC2 ZINC000072430906 216224064 /nfs/dbraw/zinc/22/40/64/216224064.db2.gz BCYQFSIHRBARBD-UHFFFAOYSA-N 1 0 347.850 2.029 50 0 EEAARO Cc1cc2ncn(Cc3nc([C@@H]4CCC[NH2+]C4)cc(=O)[nH]3)c2cc1C ZINC000023580861 212382679 /nfs/dbraw/zinc/38/26/79/212382679.db2.gz KVMROZKJLPQVDI-CQSZACIVSA-N 1 0 337.427 2.252 50 0 EEAARO COc1ccccc1[C@@H](CNC(=O)c1cnccn1)[NH+]1CCCC1 ZINC000022679796 212316733 /nfs/dbraw/zinc/31/67/33/212316733.db2.gz BAKCTMAKCAFSGS-MRXNPFEDSA-N 1 0 326.400 2.052 50 0 EEAARO CN1CC[C@@H]([N@H+](C)CCC(=O)NCc2c(F)cccc2Cl)C1 ZINC000426445504 241287244 /nfs/dbraw/zinc/28/72/44/241287244.db2.gz IOYAEDIVPUFBKA-GFCCVEGCSA-N 1 0 327.831 2.121 50 0 EEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCc1ccccc1F ZINC000021868593 212256728 /nfs/dbraw/zinc/25/67/28/212256728.db2.gz YHPYIMWNNGZNQE-UHFFFAOYSA-N 1 0 346.402 2.170 50 0 biogenic EEAARO Cc1cccc2[nH]c(CNC(=O)CSCC[NH+]3CCCC3)nc21 ZINC000244707858 243064497 /nfs/dbraw/zinc/06/44/97/243064497.db2.gz KIVACQPRPOZDNI-UHFFFAOYSA-N 1 0 332.473 2.317 50 0 EEAARO O=C(NCC[NH+]1CCC(c2ccccc2)CC1)c1ncccc1O ZINC000243892943 243029861 /nfs/dbraw/zinc/02/98/61/243029861.db2.gz AMJRQWWKQCDXFA-UHFFFAOYSA-N 1 0 325.412 2.397 50 0 EEAARO O[C@H]1Cc2ccccc2C12CC[NH+](CCn1cc(Cl)cn1)CC2 ZINC000244763996 243076160 /nfs/dbraw/zinc/07/61/60/243076160.db2.gz OZJOIMCSLCLXDI-KRWDZBQOSA-N 1 0 331.847 2.487 50 0 EEAARO Cc1ccc(SCCN(C)C(=O)CN2CC[C@H]([NH+](C)C)C2)cc1 ZINC000244873378 243091897 /nfs/dbraw/zinc/09/18/97/243091897.db2.gz WPEROTBIHYNEBH-INIZCTEOSA-N 1 0 335.517 2.181 50 0 EEAARO O[C@H](COc1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019938358 212087981 /nfs/dbraw/zinc/08/79/81/212087981.db2.gz YNUXSJDQBVXQMD-IBGZPJMESA-N 1 0 326.440 2.244 50 0 EEAARO OC[C@H]1COCC[N@@H+](C2CCN(c3ccc4c(c3)CCC4)CC2)C1 ZINC000077538293 216931925 /nfs/dbraw/zinc/93/19/25/216931925.db2.gz WLSZPXDKILKBIJ-INIZCTEOSA-N 1 0 330.472 2.085 50 0 EEAARO CCCCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012711342 211436683 /nfs/dbraw/zinc/43/66/83/211436683.db2.gz ILZKQMANKVTCTA-QGZVFWFLSA-N 1 0 349.519 2.358 50 0 EEAARO CN(C)c1cccc(C(=O)N2CCC[C@@H](N(C)CCC[NH+](C)C)C2)c1 ZINC000012430234 211378733 /nfs/dbraw/zinc/37/87/33/211378733.db2.gz OCWCPWOYKWTRDZ-LJQANCHMSA-N 1 0 346.519 2.241 50 0 EEAARO COc1ccc(C(=O)CCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3C)C2)cc1 ZINC000091460235 218009969 /nfs/dbraw/zinc/00/99/69/218009969.db2.gz UHRFSGWOZXSUGP-GDBMZVCRSA-N 1 0 330.428 2.211 50 0 EEAARO CCc1cc(C(=O)N2CCC([C@@H](C)[NH+]3CCN(C)CC3)CC2)ccn1 ZINC000091595587 218029097 /nfs/dbraw/zinc/02/90/97/218029097.db2.gz GGTXVUDHZGIFOY-MRXNPFEDSA-N 1 0 344.503 2.132 50 0 EEAARO Cc1cc(C(=O)NC[C@@H]2CCC[N@H+](Cc3cnc(C)s3)C2)no1 ZINC000011713907 211240795 /nfs/dbraw/zinc/24/07/95/211240795.db2.gz CJJUIYCNKYBNQC-ZDUSSCGKSA-N 1 0 334.445 2.390 50 0 EEAARO O=C1N(C2CCOCC2)CCC[C@@]12CC[N@H+](CCc1ccccn1)C2 ZINC000091819281 218070883 /nfs/dbraw/zinc/07/08/83/218070883.db2.gz UFPHQYHRLZLSOB-FQEVSTJZSA-N 1 0 343.471 2.118 50 0 EEAARO CCOc1ccc(CN2CC[C@@]3(O)CC[NH2+]C[C@H]3C2)c(OCC)c1C 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Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000012729440 462864904 /nfs/dbraw/zinc/86/49/04/462864904.db2.gz MGGAEPAGQRQQEJ-CJNGLKHVSA-N 1 0 331.460 2.479 50 0 EEAARO CCn1c(Cn2cncn2)nnc1C1CC[NH+](CCC(C)C)CC1 ZINC000091288568 462870715 /nfs/dbraw/zinc/87/07/15/462870715.db2.gz CQCTXRNULXOYGW-UHFFFAOYSA-N 1 0 331.468 2.163 50 0 EEAARO CCOC(=O)N1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000012855941 462872444 /nfs/dbraw/zinc/87/24/44/462872444.db2.gz AHGYPVCDYALBEW-HNNXBMFYSA-N 1 0 347.459 2.417 50 0 EEAARO CC1(C)CN(C(=O)CC[NH+]2Cc3ccccc3C2)C[C@@]1(O)C1CC1 ZINC000091649743 462895970 /nfs/dbraw/zinc/89/59/70/462895970.db2.gz ZZDFKMSCYMRXDT-HXUWFJFHSA-N 1 0 328.456 2.402 50 0 EEAARO CSc1ccccc1C(=O)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077337203 462970142 /nfs/dbraw/zinc/97/01/42/462970142.db2.gz VMTOTWZDODYOTN-GOSISDBHSA-N 1 0 334.485 2.471 50 0 EEAARO COc1ccccc1C[NH+]1CCC(c2nnc(CN(C)C)n2C)CC1 ZINC000077439315 462984627 /nfs/dbraw/zinc/98/46/27/462984627.db2.gz 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CCn1nc(-c2ccccc2OC)cc1C(=O)NCC[NH+]1CCCC1 ZINC000034903297 463429438 /nfs/dbraw/zinc/42/94/38/463429438.db2.gz COMPMXGILTUOBB-UHFFFAOYSA-N 1 0 342.443 2.404 50 0 EEAARO CCn1nc(C(=O)NCC[NH+]2CCCC2)cc1-c1ccc(OC)cc1 ZINC000034901211 463430078 /nfs/dbraw/zinc/43/00/78/463430078.db2.gz RDLOMYHBVLZXSI-UHFFFAOYSA-N 1 0 342.443 2.404 50 0 EEAARO COc1ccc(-c2ccc(C(=O)N3CCC[C@H]([NH3+])CC3)c(=O)[nH]2)cc1 ZINC000072128301 463483193 /nfs/dbraw/zinc/48/31/93/463483193.db2.gz BQLYCDBGVRBXIN-AWEZNQCLSA-N 1 0 341.411 2.004 50 0 EEAARO Cc1ccc(N2C[C@@H](C)N(C(=O)CCC[NH+]3CCCC3)CC2=O)cc1 ZINC000082087347 463513409 /nfs/dbraw/zinc/51/34/09/463513409.db2.gz XIUWLIYVHNMWIN-QGZVFWFLSA-N 1 0 343.471 2.435 50 0 EEAARO Cc1nc[nH]c1CSCC[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000082097492 463514771 /nfs/dbraw/zinc/51/47/71/463514771.db2.gz CEGNGGFZHHUILN-CQSZACIVSA-N 1 0 325.478 2.269 50 0 EEAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)c1ccncc1 ZINC000082121436 463517554 /nfs/dbraw/zinc/51/75/54/463517554.db2.gz 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C[NH+]1CCC(N2CCN(C(=O)c3cc4cc(F)ccc4o3)CC2)CC1 ZINC000426360044 536340000 /nfs/dbraw/zinc/34/00/00/536340000.db2.gz YSTKSUGZLAUZGI-UHFFFAOYSA-N 1 0 345.418 2.424 50 0 EEAARO C[N@@H+]1C[C@H](NC(=O)CC(c2ccccc2)c2ccccc2)C[C@H]1CO ZINC000219423033 536489280 /nfs/dbraw/zinc/48/92/80/536489280.db2.gz VNCSHDJSKBIIQX-MOPGFXCFSA-N 1 0 338.451 2.390 50 0 EEAARO COc1cc(C(=O)N[C@@H]2COC3(C2)CCCCC3)ccc1OCC[NH3+] ZINC000426368433 536510024 /nfs/dbraw/zinc/51/00/24/536510024.db2.gz YXHFTQJWBVEIKZ-HNNXBMFYSA-N 1 0 348.443 2.254 50 0 EEAARO COc1cccc(-n2c(C[NH3+])nnc2SCC[C@@H]2CCOC2)c1 ZINC000426374112 537071905 /nfs/dbraw/zinc/07/19/05/537071905.db2.gz CARNFYJGWQIKGF-LBPRGKRZSA-N 1 0 334.445 2.253 50 0 EEAARO COC(=O)/C=C1\SCC(=O)N1CCC[N@@H+]1CCC[C@@H](C)CC1 ZINC000102100050 1197752223 /nfs/dbraw/zinc/75/22/23/1197752223.db2.gz OATUNEGIFBIMKA-LKKYZFDUSA-N 1 0 326.462 2.088 50 0 EEAARO OCC[C@@H]1CN(Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000019730853 1229386738 /nfs/dbraw/zinc/38/67/38/1229386738.db2.gz OWHAFIMRHKYGFM-LJQANCHMSA-N 1 0 326.440 2.461 50 0 EEAARO C[NH+]1CCN(CCCOc2ccccc2C(=O)C2CCOCC2)CC1 ZINC001772819714 1410372291 /nfs/dbraw/zinc/37/22/91/1410372291.db2.gz QRMLVJRXPUPAKT-UHFFFAOYSA-N 1 0 346.471 2.312 50 0 EEAARO O=c1ccc(C2CC2)nn1CC1CC[NH+](CC2(O)CCCC2)CC1 ZINC000585506763 792896536 /nfs/dbraw/zinc/89/65/36/792896536.db2.gz XFTKCZKIPIZFKH-UHFFFAOYSA-N 1 0 331.460 2.138 50 0 EEAARO O=C(c1nc2sccn2c1C[NH2+]CC1CCOCC1)N1CCCC1 ZINC000011935169 799275861 /nfs/dbraw/zinc/27/58/61/799275861.db2.gz JXXAVWVOKPTGKF-UHFFFAOYSA-N 1 0 348.472 2.148 50 0 EEAARO O=C(Cc1ccc(Cl)c(Cl)c1)NCC[N@H+]1CCC[C@@H](CO)C1 ZINC000828711100 800806579 /nfs/dbraw/zinc/80/65/79/800806579.db2.gz DLQGXEFMAPVEJF-CYBMUJFWSA-N 1 0 345.270 2.356 50 0 EEAARO C[NH+]1CCC(n2nccc2NC(=O)c2cccc3nccnc32)CC1 ZINC001506399360 1114595778 /nfs/dbraw/zinc/59/57/78/1114595778.db2.gz MFXWGADEVLCGCT-UHFFFAOYSA-N 1 0 336.399 2.345 50 0 EEAARO O=C(NCC[NH+]1CCCC1)c1ccccc1I ZINC000004742541 210265271 /nfs/dbraw/zinc/26/52/71/210265271.db2.gz QRBVMVUJBDDTHQ-UHFFFAOYSA-N 1 0 344.196 2.117 50 0 EEAARO CC[NH+](CC)CCNC(=O)c1nnn(-c2cccc(Cl)c2)c1C ZINC000051317692 214088063 /nfs/dbraw/zinc/08/80/63/214088063.db2.gz GWMBVKMKFIDERL-UHFFFAOYSA-N 1 0 335.839 2.301 50 0 EEAARO CN(Cc1[nH]nc2c1CCC2)C(=O)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000055414469 214322574 /nfs/dbraw/zinc/32/25/74/214322574.db2.gz NXPCHXSXXIQCDY-AWEZNQCLSA-N 1 0 342.443 2.362 50 0 EEAARO CC(=O)OCC(=O)NCCCOc1cccc(C[NH+]2CCCCC2)c1 ZINC000003812908 210077325 /nfs/dbraw/zinc/07/73/25/210077325.db2.gz SMTZFNFIKUPEJC-UHFFFAOYSA-N 1 0 348.443 2.121 50 0 world EEAARO Cc1nc[nH]c1C[N@@H+]1CCC[C@@H](CNC(=O)c2cnccc2C)C1 ZINC000067473267 215151701 /nfs/dbraw/zinc/15/17/01/215151701.db2.gz PGXHHNCXOSEHDR-HNNXBMFYSA-N 1 0 327.432 2.064 50 0 EEAARO C[N@@H+]1CC[C@@H](CNC(=O)Cn2cc(C(=O)C3CC3)c3ccccc32)C1 ZINC000067490078 215153251 /nfs/dbraw/zinc/15/32/51/215153251.db2.gz NGXYAQLWNXOHMF-AWEZNQCLSA-N 1 0 339.439 2.302 50 0 EEAARO COc1cccc(NC(=O)NC[C@H]2CC[N@H+](Cc3cnc(C)[nH]3)C2)c1 ZINC000067769581 215208290 /nfs/dbraw/zinc/20/82/90/215208290.db2.gz DNBKJFITUCFVHD-CQSZACIVSA-N 1 0 343.431 2.370 50 0 EEAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CC[C@H](CNC(=O)C2CCC2)C1 ZINC000067774940 215210609 /nfs/dbraw/zinc/21/06/09/215210609.db2.gz GZHTZLFEUAFVBM-GFCCVEGCSA-N 1 0 338.883 2.374 50 0 EEAARO CCn1cnnc1CCNc1nc(-c2ccccc2)nc2c1CC[NH2+]C2 ZINC000067895581 215244113 /nfs/dbraw/zinc/24/41/13/215244113.db2.gz RMCUGIZQEASLPX-UHFFFAOYSA-N 1 0 349.442 2.055 50 0 EEAARO C[N@@H+]1CCC[C@H](CCNC(=O)c2cccc(Cn3cccn3)c2)C1 ZINC000067910090 215248796 /nfs/dbraw/zinc/24/87/96/215248796.db2.gz JCYDETSYSVSMGN-MRXNPFEDSA-N 1 0 326.444 2.393 50 0 EEAARO Cc1cc(C(=O)NC[C@H]2CC[N@H+](Cc3cc4ccccc4[nH]3)C2)[nH]n1 ZINC000067920514 215250426 /nfs/dbraw/zinc/25/04/26/215250426.db2.gz UEYSFZSIVVICEN-CQSZACIVSA-N 1 0 337.427 2.451 50 0 EEAARO C[NH+](C)[C@@H](CNC(=O)c1cn(-c2ccccc2)nn1)c1ccccc1 ZINC000037176177 213134624 /nfs/dbraw/zinc/13/46/24/213134624.db2.gz WTNKFIURAHEHDD-SFHVURJKSA-N 1 0 335.411 2.300 50 0 EEAARO CCCOC[C@H]1CCN(c2nc(-c3ccncc3)nc3c2C[NH2+]C3)C1 ZINC000072125418 216016454 /nfs/dbraw/zinc/01/64/54/216016454.db2.gz YUEDZVUJPIKLSW-AWEZNQCLSA-N 1 0 339.443 2.395 50 0 EEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000072145558 216031949 /nfs/dbraw/zinc/03/19/49/216031949.db2.gz FLYRILNKOQDRNJ-MRXNPFEDSA-N 1 0 328.815 2.398 50 0 EEAARO CSc1ncc(CNC(=O)c2ccccc2[C@H]2CC[NH2+]C2)n1C ZINC000072165121 216054050 /nfs/dbraw/zinc/05/40/50/216054050.db2.gz KEUVMDPYXJZQQO-LBPRGKRZSA-N 1 0 330.457 2.149 50 0 EEAARO CCc1ccc(CN2CC[NH2+][C@H](C(=O)Nc3ccc(F)cc3)C2)nc1 ZINC000072171241 216062686 /nfs/dbraw/zinc/06/26/86/216062686.db2.gz QECFOXSZQXYDOZ-SFHVURJKSA-N 1 0 342.418 2.196 50 0 EEAARO Cc1nc(CNc2nc(NC3CC3)nc3c2CC[N@H+](C)CC3)cs1 ZINC000072418477 216206713 /nfs/dbraw/zinc/20/67/13/216206713.db2.gz FVRPQDITRJDBGL-UHFFFAOYSA-N 1 0 344.488 2.458 50 0 EEAARO Cc1nc2c(c(NCc3[nH]nc4c3CCCCC4)n1)CC[NH2+]CC2 ZINC000072419232 216207648 /nfs/dbraw/zinc/20/76/48/216207648.db2.gz PLNUQCSVEUARAS-UHFFFAOYSA-N 1 0 326.448 2.077 50 0 EEAARO CCC[NH+]1CCN(C[C@H](O)COCc2ccccc2Cl)CC1 ZINC000022877463 212331531 /nfs/dbraw/zinc/33/15/31/212331531.db2.gz OFSHHEFPMINMAK-INIZCTEOSA-N 1 0 326.868 2.245 50 0 EEAARO O=C(c1n[nH]c2ccccc21)N1CCCO[C@@H](C[NH+]2CCCCC2)C1 ZINC000215819956 241146899 /nfs/dbraw/zinc/14/68/99/241146899.db2.gz NYZDFBGMXLWVRT-HNNXBMFYSA-N 1 0 342.443 2.280 50 0 EEAARO Cn1ccnc1[C@H]1CCC[N@H+](Cc2cnc(N3CCOCC3)s2)C1 ZINC000216517432 241197362 /nfs/dbraw/zinc/19/73/62/241197362.db2.gz DWUCJMYNXZCXCJ-AWEZNQCLSA-N 1 0 347.488 2.093 50 0 EEAARO O=C(N[C@H]1COC[C@@H]1[NH+]1CCCCC1)c1ccc2scnc2c1 ZINC000426389223 241273893 /nfs/dbraw/zinc/27/38/93/241273893.db2.gz GRZLHKFCFDMCAT-GJZGRUSLSA-N 1 0 331.441 2.279 50 0 EEAARO Cc1[nH]nc(C(=O)N2CCC([NH+]3CCSCC3)CC2)c1Cl ZINC000426643052 241319608 /nfs/dbraw/zinc/31/96/08/241319608.db2.gz USCXYSACXQATRI-UHFFFAOYSA-N 1 0 328.869 2.025 50 0 EEAARO Cc1ccc(C(=O)N2CC(c3nccs3)C2)c(OCCC[NH3+])c1 ZINC000426489946 241297501 /nfs/dbraw/zinc/29/75/01/241297501.db2.gz BRVSPVFAPJKGHS-UHFFFAOYSA-N 1 0 331.441 2.419 50 0 EEAARO CC(C)[C@H](Oc1ccccc1)C(=O)N1CCOC2(CC[NH2+]CC2)C1 ZINC000426545071 241306735 /nfs/dbraw/zinc/30/67/35/241306735.db2.gz NAAVOOYVMLFEPY-KRWDZBQOSA-N 1 0 332.444 2.071 50 0 EEAARO O=C(CN1CCC[N@@H+](C2CCCC2)CC1)N1CCOc2ccccc21 ZINC000244707878 243063668 /nfs/dbraw/zinc/06/36/68/243063668.db2.gz KJHBQYAGNXNOBD-UHFFFAOYSA-N 1 0 343.471 2.362 50 0 EEAARO Cc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CC(c3nc4ccccc4[nH]3)C2)n1 ZINC000244763922 243075216 /nfs/dbraw/zinc/07/52/16/243075216.db2.gz OXZLLQJTQMFOIZ-MQMHXKEQSA-N 1 0 334.427 2.470 50 0 EEAARO C[NH+]1CCN(CCCNC(=O)CSc2ccc(Cl)cc2)CC1 ZINC000020818990 212174056 /nfs/dbraw/zinc/17/40/56/212174056.db2.gz ROURGIPSURSMLO-UHFFFAOYSA-N 1 0 341.908 2.186 50 0 EEAARO Cn1c2ccccc2nc1CN1CCC[C@H]([NH+]2CCC(CO)CC2)C1 ZINC000020535606 212144890 /nfs/dbraw/zinc/14/48/90/212144890.db2.gz BABDZWHBYPNJKX-KRWDZBQOSA-N 1 0 342.487 2.242 50 0 EEAARO O[C@@H](C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1)c1ccccc1 ZINC000020421631 212128355 /nfs/dbraw/zinc/12/83/55/212128355.db2.gz VFIOTMQQTAUGQE-SFHVURJKSA-N 1 0 340.423 2.267 50 0 EEAARO OCC1CC[NH+]([C@@H]2CCCN(Cc3cccc4c3OCO4)C2)CC1 ZINC000020271713 212115882 /nfs/dbraw/zinc/11/58/82/212115882.db2.gz VBXBTJJRZAJJON-QGZVFWFLSA-N 1 0 332.444 2.084 50 0 EEAARO Cn1c(C(=O)N2CCC[C@@](O)(C[NH+]3CCCC3)C2)cc2ccccc21 ZINC000077389328 216892408 /nfs/dbraw/zinc/89/24/08/216892408.db2.gz JKPSCCNJRFLOAP-HXUWFJFHSA-N 1 0 341.455 2.241 50 0 EEAARO [NH3+][C@@H]1CCN(C(=O)C2(c3ccc(Cl)cc3)CCCCC2)C[C@H]1O ZINC000082121819 217471721 /nfs/dbraw/zinc/47/17/21/217471721.db2.gz UDHOEEUPBHXACP-HZPDHXFCSA-N 1 0 336.863 2.462 50 0 EEAARO O=C1O[C@@H]2C[N@@H+](C3CCSCC3)C[C@@H]2N1CCc1ccccn1 ZINC000012304637 211338300 /nfs/dbraw/zinc/33/83/00/211338300.db2.gz UKMPTHLQCGELTA-JKSUJKDBSA-N 1 0 333.457 2.025 50 0 EEAARO C[NH+](C)CC[C@@H]1CN(C(=O)Cc2ccc(F)cc2Cl)CCO1 ZINC000011933215 211270244 /nfs/dbraw/zinc/27/02/44/211270244.db2.gz GKTCEOAWNUUORD-CQSZACIVSA-N 1 0 328.815 2.201 50 0 EEAARO COc1cc(Cl)c(C[N@@H+]2CC[C@]3(C2)CCCNC3=O)cc1OC ZINC000091536987 218018935 /nfs/dbraw/zinc/01/89/35/218018935.db2.gz VUPYSLGKNXMZGU-KRWDZBQOSA-N 1 0 338.835 2.459 50 0 EEAARO CC[NH+](CC)CC(=O)N1CCC[C@H](CNC(=O)c2ccc(F)cc2)C1 ZINC000011775284 211247067 /nfs/dbraw/zinc/24/70/67/211247067.db2.gz NREPDFWSTXMVCI-OAHLLOKOSA-N 1 0 349.450 2.136 50 0 EEAARO CSCCC[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000091987423 218099180 /nfs/dbraw/zinc/09/91/80/218099180.db2.gz HRYDGUUWIHWROY-GXTWGEPZSA-N 1 0 325.503 2.319 50 0 EEAARO CC(C)[N@H+](CC(=O)NC(=O)NCC(F)(F)F)Cc1ccccc1 ZINC000011035455 211200795 /nfs/dbraw/zinc/20/07/95/211200795.db2.gz MZSYFCYEGANIQQ-UHFFFAOYSA-N 1 0 331.338 2.285 50 0 EEAARO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1csc(-c2ncccn2)n1 ZINC000095373030 218305737 /nfs/dbraw/zinc/30/57/37/218305737.db2.gz JROKBCGBFFKICU-CQSZACIVSA-N 1 0 345.472 2.481 50 0 EEAARO Cc1cccc(=O)n1CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCCC2)C1 ZINC000095387358 218319341 /nfs/dbraw/zinc/31/93/41/218319341.db2.gz HRVXGVQVYNRPMA-QGZVFWFLSA-N 1 0 345.487 2.318 50 0 EEAARO O=C([C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12)N1CCC(CO)CC1 ZINC000299782088 258090584 /nfs/dbraw/zinc/09/05/84/258090584.db2.gz VDNSFJJADGFNEZ-OTWHNJEPSA-N 1 0 328.456 2.443 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(-c2cc(=O)[nH]cn2)c1 ZINC000299784841 258092637 /nfs/dbraw/zinc/09/26/37/258092637.db2.gz KYSDSZQCGBPNET-OAHLLOKOSA-N 1 0 326.400 2.063 50 0 EEAARO Cc1ccc([C@]2(C(=O)NCC3(O)CC[NH+](C)CC3)CC2(C)C)cc1 ZINC000299793598 258098748 /nfs/dbraw/zinc/09/87/48/258098748.db2.gz IOHTXUMZDITQPM-FQEVSTJZSA-N 1 0 330.472 2.236 50 0 EEAARO CC(C)c1nccc(C(=O)NC2CC[NH+](Cc3cccnc3)CC2)n1 ZINC000299796439 258100202 /nfs/dbraw/zinc/10/02/02/258100202.db2.gz NXCKMHQQTYHRMQ-UHFFFAOYSA-N 1 0 339.443 2.389 50 0 EEAARO COc1ccc(C(=O)N2CC(c3cccnc3)C2)cc1OCCC[NH3+] ZINC000299761243 258078185 /nfs/dbraw/zinc/07/81/85/258078185.db2.gz YASXQSGDFPOIEH-UHFFFAOYSA-N 1 0 341.411 2.057 50 0 EEAARO COc1ccc([N+]2=C3COCCN3C[C@]2(O)c2ccc(C)cc2)cc1 ZINC000001779548 286325246 /nfs/dbraw/zinc/32/52/46/286325246.db2.gz DYWZIOJJRUINNM-FQEVSTJZSA-N 1 0 339.415 2.110 50 0 EEAARO O=C(Nc1ccnn1C1CC[NH+](CCCO)CC1)c1cccc(F)c1 ZINC000067896069 275000454 /nfs/dbraw/zinc/00/04/54/275000454.db2.gz OBRKIFDJYQIMLC-UHFFFAOYSA-N 1 0 346.406 2.294 50 0 EEAARO CCC(=O)Nc1ccc(OCC(=O)N2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000067983267 275948961 /nfs/dbraw/zinc/94/89/61/275948961.db2.gz OFFQIHCVCBEFHQ-LJQANCHMSA-N 1 0 345.443 2.016 50 0 EEAARO CC[NH+](CC)CCn1cnc2c3cc(OC)c(OC)cc3[nH]c2c1=O ZINC000000487070 462566368 /nfs/dbraw/zinc/56/63/68/462566368.db2.gz XVEKKPVCMNCLIX-UHFFFAOYSA-N 1 0 344.415 2.237 50 0 biogenic EEAARO CCc1ccc([C@H]([NH2+]CC(=O)NC(=O)NC)c2cccs2)cc1 ZINC000007661314 462745093 /nfs/dbraw/zinc/74/50/93/462745093.db2.gz ZZLDZBDPQOFOID-INIZCTEOSA-N 1 0 331.441 2.445 50 0 EEAARO O=C(c1ccc(-n2cnnc2)cc1)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000065458419 462773143 /nfs/dbraw/zinc/77/31/43/462773143.db2.gz LFJYGRIZFJZZLR-UHFFFAOYSA-N 1 0 348.410 2.015 50 0 EEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@H](c2coc3ccccc3c2=O)N1 ZINC000009318779 462800339 /nfs/dbraw/zinc/80/03/39/462800339.db2.gz BWHOFTLQEKCBIH-MRXNPFEDSA-N 1 0 331.335 2.239 50 0 EEAARO COc1cc(C[C@@H]2CC(C[NH+]3CCCC3)=NO2)c(OC)c2c1OCO2 ZINC000015081588 462940379 /nfs/dbraw/zinc/94/03/79/462940379.db2.gz QNKJTYMHRFCMOZ-CQSZACIVSA-N 1 0 348.399 2.216 50 0 EEAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccccc3)c(C)n2)CC1 ZINC000015778175 462962291 /nfs/dbraw/zinc/96/22/91/462962291.db2.gz OYTIQAJQKOXGAI-UHFFFAOYSA-N 1 0 325.416 2.179 50 0 EEAARO C[N@H+](CCNC(=O)N[C@H]1COc2ccccc2C1)Cc1ccccc1 ZINC000015787259 462963466 /nfs/dbraw/zinc/96/34/66/462963466.db2.gz OKRBOKOBGSQVPZ-GOSISDBHSA-N 1 0 339.439 2.421 50 0 EEAARO CCc1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)nc1 ZINC000077320474 462967176 /nfs/dbraw/zinc/96/71/76/462967176.db2.gz NBCJZGMKPLHUCD-FQEVSTJZSA-N 1 0 345.487 2.495 50 0 EEAARO Cn1ncc(N2CCO[C@H](CC[NH2+]C3CCCCCCC3)C2)cc1=O ZINC000077323349 462968724 /nfs/dbraw/zinc/96/87/24/462968724.db2.gz MAUZDSADZYKUSL-GOSISDBHSA-N 1 0 348.491 2.078 50 0 EEAARO COc1ccc2ccccc2c1CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000077504912 462997049 /nfs/dbraw/zinc/99/70/49/462997049.db2.gz FOMAXCSEGOVUCL-UHFFFAOYSA-N 1 0 339.395 2.022 50 0 EEAARO O=C(NCc1[nH]nc2c1CCC2)[C@H]1CCC[N@H+](Cc2ccco2)C1 ZINC000019227677 463016034 /nfs/dbraw/zinc/01/60/34/463016034.db2.gz HFZJNLCJYLUNPB-ZDUSSCGKSA-N 1 0 328.416 2.020 50 0 EEAARO CSc1ncc(CNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)n1C ZINC000095512831 463101007 /nfs/dbraw/zinc/10/10/07/463101007.db2.gz HXIWBAPJHXJUQY-ZDUSSCGKSA-N 1 0 348.472 2.263 50 0 EEAARO CCc1ocnc1C(=O)N1CCC[C@@H](c2nccn2CC[NH+](C)C)C1 ZINC000095515393 463101298 /nfs/dbraw/zinc/10/12/98/463101298.db2.gz CXCJHIWWRBANHF-CQSZACIVSA-N 1 0 345.447 2.015 50 0 EEAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCc2ncccc2C1 ZINC000095524933 463103962 /nfs/dbraw/zinc/10/39/62/463103962.db2.gz VCSSZTGCDTZRHD-INIZCTEOSA-N 1 0 325.412 2.472 50 0 EEAARO Cc1cnccc1NC(=O)N(C)C1CC[NH+](CCn2cccn2)CC1 ZINC000121270284 463108189 /nfs/dbraw/zinc/10/81/89/463108189.db2.gz QIVPFMNQPGRDQW-UHFFFAOYSA-N 1 0 342.447 2.215 50 0 EEAARO COc1ccc(F)cc1NC(=O)N1CCC[C@](CO)(C[NH+](C)C)C1 ZINC000096160718 463190390 /nfs/dbraw/zinc/19/03/90/463190390.db2.gz AFLQINMRHFKOQL-KRWDZBQOSA-N 1 0 339.411 2.002 50 0 EEAARO C[N@H+](CC(=O)Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1CCc2ccccc21 ZINC000029483816 463258443 /nfs/dbraw/zinc/25/84/43/463258443.db2.gz YVYLMHVDNFPIDU-QGZVFWFLSA-N 1 0 336.395 2.414 50 0 EEAARO O=C(CN1CCC[N@H+](Cc2cccs2)CC1)NCc1ccco1 ZINC000030209713 463289452 /nfs/dbraw/zinc/28/94/52/463289452.db2.gz QNMUSNDTYOUBPX-UHFFFAOYSA-N 1 0 333.457 2.165 50 0 EEAARO Cn1cc(C[NH2+]C[C@H]2COc3ccccc3O2)c(-c2cccnc2)n1 ZINC000097159753 463338314 /nfs/dbraw/zinc/33/83/14/463338314.db2.gz GHSZZVHKVQIHOV-INIZCTEOSA-N 1 0 336.395 2.412 50 0 EEAARO Cc1cccc(NC[C@@H]2CCN(c3nc(C)nc4c3cnn4C)C2)[nH+]1 ZINC000097201013 463345484 /nfs/dbraw/zinc/34/54/84/463345484.db2.gz OTYGUVMVGVRKAB-AWEZNQCLSA-N 1 0 337.431 2.314 50 0 EEAARO CC(=O)NCC(=O)N1CCC[N@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071479475 463416356 /nfs/dbraw/zinc/41/63/56/463416356.db2.gz NQGNYTZDXVJINT-GOSISDBHSA-N 1 0 349.450 2.021 50 0 EEAARO COC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCCC[C@@H]2C)c(OC)c1 ZINC000105701893 463460720 /nfs/dbraw/zinc/46/07/20/463460720.db2.gz MKHLVPMLICXMOI-DZGCQCFKSA-N 1 0 337.416 2.096 50 0 EEAARO CC[C@H](CNC(=O)[C@H](C(C)C)N1C[C@@H](C)O[C@H](C)C1)[NH+]1CCCC1 ZINC000106153827 463507309 /nfs/dbraw/zinc/50/73/09/463507309.db2.gz PETVWITXMVIXGW-TVFCKZIOSA-N 1 0 339.524 2.111 50 0 EEAARO COc1ccc(OC2CCN(C(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3[NH3+])CC2)cc1 ZINC000082127969 463517594 /nfs/dbraw/zinc/51/75/94/463517594.db2.gz RNEGKCISGSEEJF-CFGMGRTJSA-N 1 0 344.455 2.438 50 0 EEAARO COC(=O)[C@@H]1C[C@@H](O)[C@H]([NH+]2CCC(Nc3cccc(C)c3)CC2)C1 ZINC000107511113 463572774 /nfs/dbraw/zinc/57/27/74/463572774.db2.gz BSVCECLFXGNPRL-BMGDILEWSA-N 1 0 332.444 2.184 50 0 EEAARO CCCn1cc(CN2CCCN(C(=O)C3=COCCC3)CC2)cn1 ZINC000107596485 463575931 /nfs/dbraw/zinc/57/59/31/463575931.db2.gz SAUVKPUYVUCMOC-UHFFFAOYSA-N 1 0 332.448 2.022 50 0 EEAARO CC1CCN(C(=O)C[N@H+](C[C@@H]2CCCO2)[C@H]2CCSC2)CC1 ZINC000108346427 463600711 /nfs/dbraw/zinc/60/07/11/463600711.db2.gz KTRZSEHPTAAYEN-HOTGVXAUSA-N 1 0 326.506 2.231 50 0 EEAARO Cn1ccnc1CCNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000223096204 464138132 /nfs/dbraw/zinc/13/81/32/464138132.db2.gz KRTFTQHXGKIWHL-QGZVFWFLSA-N 1 0 326.444 2.134 50 0 EEAARO CCC1=NO[C@H](C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)C1 ZINC000244724562 464461603 /nfs/dbraw/zinc/46/16/03/464461603.db2.gz MWILHHXPJOQAJT-INIZCTEOSA-N 1 0 325.416 2.358 50 0 EEAARO CN1CCc2ncnc(N3C[C@H]4[C@@H](CC[N@@H+]4Cc4ccccc4)C3)c2C1 ZINC000248095717 464729117 /nfs/dbraw/zinc/72/91/17/464729117.db2.gz YABLODMZIQCXQM-PXNSSMCTSA-N 1 0 349.482 2.175 50 0 EEAARO C[C@@H](C(=O)Nc1nncs1)N(C)Cc1c[nH]nc1-c1ccccc1 ZINC000252482401 464959913 /nfs/dbraw/zinc/95/99/13/464959913.db2.gz DERQUWUBKACPCE-NSHDSACASA-N 1 0 342.428 2.387 50 0 EEAARO Nc1nc(NCCCn2ncc3ccccc32)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000253378488 464995946 /nfs/dbraw/zinc/99/59/46/464995946.db2.gz GKNPXVXBYVPLPT-OKILXGFUSA-N 1 0 338.415 2.149 50 0 EEAARO COc1cccc(N2CCC([NH2+]Cc3cnc4cnccn34)CC2)c1 ZINC000670446602 485644057 /nfs/dbraw/zinc/64/40/57/485644057.db2.gz RRQVGTHDVWIVEP-UHFFFAOYSA-N 1 0 337.427 2.497 50 0 EEAARO O=C(Cc1cccc(C(F)(F)F)c1)NCC[N@H+]1CCCC[C@H]1CO ZINC000670445316 485644669 /nfs/dbraw/zinc/64/46/69/485644669.db2.gz IPZPHEKSNXKZGW-HNNXBMFYSA-N 1 0 344.377 2.211 50 0 EEAARO C[N@@H+](Cc1cccc(-c2nn[nH]n2)c1)C[C@H]1COc2ccccc2O1 ZINC000244646988 536475714 /nfs/dbraw/zinc/47/57/14/536475714.db2.gz GSZHWYGYRODDFK-HNNXBMFYSA-N 1 0 337.383 2.139 50 0 EEAARO C[NH+]1CCC(CCC(=O)N[C@@H]2COCC[C@@H]2OCC2CCC2)CC1 ZINC000220106062 536336390 /nfs/dbraw/zinc/33/63/90/536336390.db2.gz AJTWKEDLDHZTAX-MSOLQXFVSA-N 1 0 338.492 2.199 50 0 EEAARO CN(Cc1[nH]nc2c1CCCCC2)C(=O)NCC[NH+]1CCCCC1 ZINC000426697278 536486059 /nfs/dbraw/zinc/48/60/59/536486059.db2.gz DGILDTQJNAQKCW-UHFFFAOYSA-N 1 0 333.480 2.306 50 0 EEAARO COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCCN(C)C3=O)c(OC)c1C ZINC000012455946 675206674 /nfs/dbraw/zinc/20/66/74/675206674.db2.gz GDABSIFHLHBDOS-LJQANCHMSA-N 1 0 332.444 2.457 50 0 EEAARO C[C@@H](SC1=NN/C(=C2/C=CC=[NH+]2)O1)C(=O)N(C)Cc1ccccc1 ZINC000105270513 1204792262 /nfs/dbraw/zinc/79/22/62/1204792262.db2.gz WZOVPDLESYORAU-XROPSADXSA-N 1 0 342.424 2.467 50 0 EEAARO COc1ccc(C)nc1NC(=O)N1CCC([N@@H+]2CCO[C@@H](C)C2)CC1 ZINC000126925747 1205516018 /nfs/dbraw/zinc/51/60/18/1205516018.db2.gz HDXWOEVZWXXYMP-AWEZNQCLSA-N 1 0 348.447 2.116 50 0 EEAARO Cn1nc(C(=O)NCc2cccs2)c2c1CC[C@@H]([NH2+]CC1CC1)C2 ZINC000014733820 1225929685 /nfs/dbraw/zinc/92/96/85/1225929685.db2.gz WKPQPEFIZFSTGC-CYBMUJFWSA-N 1 0 344.484 2.269 50 0 EEAARO CC(C)[C@H]1C[N@H+](C)CCN1c1nc2nonc2nc1NC1CCCC1 ZINC000014954031 1226369141 /nfs/dbraw/zinc/36/91/41/1226369141.db2.gz HJGHZHSMSMPECS-CYBMUJFWSA-N 1 0 345.451 2.144 50 0 EEAARO O[C@@H]1CN(Cc2nc3ccccc3[nH]2)CC[C@H]1[NH+]1CCCCCC1 ZINC000015076564 1226512896 /nfs/dbraw/zinc/51/28/96/1226512896.db2.gz FRRNJJUPVDDOAY-QZTJIDSGSA-N 1 0 328.460 2.374 50 0 EEAARO CC(=O)c1c(C)nn([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)c1C ZINC000020534191 1229573109 /nfs/dbraw/zinc/57/31/09/1229573109.db2.gz PLVHTDUPVVDVAP-MOPGFXCFSA-N 1 0 339.439 2.288 50 0 EEAARO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC(=O)OC(C)(C)C ZINC000095918003 1370030581 /nfs/dbraw/zinc/03/05/81/1370030581.db2.gz MDCRPZPQWWVTKY-HUUCEWRRSA-N 1 0 334.416 2.185 50 0 EEAARO O=C(CCc1cccc(F)c1)N1CCC[N@H+](CCc2ncc[nH]2)CC1 ZINC001772805296 1410368313 /nfs/dbraw/zinc/36/83/13/1410368313.db2.gz JMQLYKQZDORIMV-UHFFFAOYSA-N 1 0 344.434 2.258 50 0 EEAARO CN1C[C@H](C[N@@H+]2CCCN(Cc3cccc(F)c3)CC2)CCC1=O ZINC001772811196 1410369670 /nfs/dbraw/zinc/36/96/70/1410369670.db2.gz UKCURYKPUNXPBI-QGZVFWFLSA-N 1 0 333.451 2.202 50 0 EEAARO Cc1ccc(CC(=O)N2CCC[N@H+](C[C@@H]3CCCOC3)CC2)cc1 ZINC000981569638 777685470 /nfs/dbraw/zinc/68/54/70/777685470.db2.gz QCUWXPNITNCWFF-IBGZPJMESA-N 1 0 330.472 2.498 50 0 EEAARO CC(C)C(=O)N1CCC[C@H]([NH2+]Cc2cnc(N3CCCCC3)nc2)C1 ZINC000952981267 796143364 /nfs/dbraw/zinc/14/33/64/796143364.db2.gz LJHOWFDBMXGSNL-KRWDZBQOSA-N 1 0 345.491 2.204 50 0 EEAARO CC1CC[NH+](C[C@]2(O)CCCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000011661754 797728170 /nfs/dbraw/zinc/72/81/70/797728170.db2.gz ZIOCFBVKWLCLNI-LJQANCHMSA-N 1 0 334.435 2.411 50 0 EEAARO O=C(Nc1ccc2c(c1)C[N@H+](C1CCOCC1)CC2)[C@H]1CCCO1 ZINC000012028065 799596104 /nfs/dbraw/zinc/59/61/04/799596104.db2.gz ZEJHFYZTMQWARG-GOSISDBHSA-N 1 0 330.428 2.341 50 0 EEAARO CC(=O)N1CCN(CC2=CCC[N@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000065457519 803247454 /nfs/dbraw/zinc/24/74/54/803247454.db2.gz HQXSVIDDMUBHCI-WEVVVXLNSA-N 1 0 339.483 2.496 50 0 EEAARO CN(Cc1cccc2cnccc21)C(=O)[C@H]([NH3+])Cc1ccc(O)cc1 ZINC001506413420 1114599803 /nfs/dbraw/zinc/59/98/03/1114599803.db2.gz JFMQYJLXKJAASV-LJQANCHMSA-N 1 0 335.407 2.469 50 0 EEAARO O=C([C@@H]1CC12CC[NH2+]CC2)N(CCO)CC12CC3CC(CC(C3)C1)C2 ZINC001506419129 1114601494 /nfs/dbraw/zinc/60/14/94/1114601494.db2.gz YCGWCVIOUQNYDI-AZRLCKCBSA-N 1 0 346.515 2.413 50 0 EEAARO CC(C)C[N@@H+]1CCN(C(=O)NCc2cccc(F)c2)C[C@@H]1CCO ZINC001506419610 1114601875 /nfs/dbraw/zinc/60/18/75/1114601875.db2.gz GRMDPKISLJRRRK-KRWDZBQOSA-N 1 0 337.439 2.060 50 0 EEAARO [NH3+]CC[C@@H]1CN(C(=O)Nc2cc(F)cc(C(F)(F)F)c2)CCO1 ZINC000097681938 219047708 /nfs/dbraw/zinc/04/77/08/219047708.db2.gz GCJAPSSSAIBZPI-GFCCVEGCSA-N 1 0 335.301 2.426 50 0 EEAARO COc1ccccc1-n1cc(C[N@H+](C)CC2(CO)CCOCC2)cn1 ZINC000097831120 219058770 /nfs/dbraw/zinc/05/87/70/219058770.db2.gz YPMPERWONDGBKY-UHFFFAOYSA-N 1 0 345.443 2.102 50 0 EEAARO CC[NH+](CC)CCOC(=O)c1ccc(NC(=O)c2cnccn2)cc1 ZINC000003328322 210007837 /nfs/dbraw/zinc/00/78/37/210007837.db2.gz NUGNEDCYTAWMOM-UHFFFAOYSA-N 1 0 342.399 2.228 50 0 EEAARO Cc1nc(N(C)C)cc(NCCNC(=O)c2ccccc2Cl)[nH+]1 ZINC000067622527 215171103 /nfs/dbraw/zinc/17/11/03/215171103.db2.gz RDYKTRWOTWJJHW-UHFFFAOYSA-N 1 0 333.823 2.346 50 0 EEAARO Cc1nc2ccccc2nc1C[N@H+]1CC[C@H](CNC(=O)NC(C)C)C1 ZINC000067740153 215199203 /nfs/dbraw/zinc/19/92/03/215199203.db2.gz DSWRWSBNJIOLQY-OAHLLOKOSA-N 1 0 341.459 2.468 50 0 EEAARO CC(C)c1csc(C(=O)N2CCC3(CC2)C[N@H+](C)CCN3C)n1 ZINC000067847861 215229920 /nfs/dbraw/zinc/22/99/20/215229920.db2.gz JOODPHJCFNWNKU-UHFFFAOYSA-N 1 0 336.505 2.119 50 0 EEAARO CS(=O)(=O)c1ccc(-c2ccccc2CN2CC[NH2+]CC2)cc1 ZINC000067847823 215230360 /nfs/dbraw/zinc/23/03/60/215230360.db2.gz DEOHTAYUJFCPHU-UHFFFAOYSA-N 1 0 330.453 2.162 50 0 EEAARO CCN(CC)C(=O)[C@@H]1C[C@@H]([NH3+])CN1Cc1cn(C)c2c1cccc2C ZINC000067855336 215233511 /nfs/dbraw/zinc/23/35/11/215233511.db2.gz JUDDZHFVRONBET-AEFFLSMTSA-N 1 0 342.487 2.257 50 0 EEAARO O=C(NCc1cccnc1Oc1ccc(F)cc1F)[C@H]1CC[NH2+]C1 ZINC000067946305 215255816 /nfs/dbraw/zinc/25/58/16/215255816.db2.gz 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COc1cccc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)c1OC ZINC000022919058 212334289 /nfs/dbraw/zinc/33/42/89/212334289.db2.gz OFODVSRKABGYNL-KRWDZBQOSA-N 1 0 336.476 2.228 50 0 EEAARO CC(C)Cc1nc(CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)no1 ZINC000426395909 241276832 /nfs/dbraw/zinc/27/68/32/241276832.db2.gz FOEZCOZYALSDAY-LLVKDONJSA-N 1 0 336.465 2.156 50 0 EEAARO CCC1CC[NH+](CCNC(=O)N2CCC[C@@H]2Cn2cccn2)CC1 ZINC000426666946 241323265 /nfs/dbraw/zinc/32/32/65/241323265.db2.gz FODQJNSAOKLUDS-QGZVFWFLSA-N 1 0 333.480 2.179 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCc2nccs2)CC1 ZINC000426677809 241325258 /nfs/dbraw/zinc/32/52/58/241325258.db2.gz UDLGIBXQVTVOOX-UHFFFAOYSA-N 1 0 331.445 2.268 50 0 EEAARO CCN(Cc1cnn(C)c1)C(=O)NCc1ccccc1C[NH+](C)C ZINC000426501715 241300695 /nfs/dbraw/zinc/30/06/95/241300695.db2.gz FFCKLMJYXVHWQZ-UHFFFAOYSA-N 1 0 329.448 2.213 50 0 EEAARO O=C(NCCn1cnnc1)c1cccc(C[NH+]2CCCCCC2)c1 ZINC000426535382 241307178 /nfs/dbraw/zinc/30/71/78/241307178.db2.gz BVUKZSOBMRWTTQ-UHFFFAOYSA-N 1 0 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Cc1nccn1Cc1nnc([C@@H]2CCC[N@@H+](C3CCCC3)C2)n1C ZINC000095371358 218303753 /nfs/dbraw/zinc/30/37/53/218303753.db2.gz CCHQOIGCNMEBBS-OAHLLOKOSA-N 1 0 328.464 2.490 50 0 EEAARO O[C@]12CC[NH2+]C[C@H]1CN(Cc1cc(F)cc(C(F)(F)F)c1)CC2 ZINC000095372859 218305508 /nfs/dbraw/zinc/30/55/08/218305508.db2.gz JBBHQVRDDNHYRF-ZFWWWQNUSA-N 1 0 332.341 2.391 50 0 EEAARO Cc1cccc2cc(C(=O)N3CC[C@H]4[NH2+]CCC[C@]4(CO)C3)n(C)c21 ZINC000095379196 218311257 /nfs/dbraw/zinc/31/12/57/218311257.db2.gz IZXLLYDQHITAMV-YLJYHZDGSA-N 1 0 341.455 2.063 50 0 EEAARO CN1CC[NH+](C[C@H]2CCCN(c3ncnc4cc(F)ccc43)C2)CC1 ZINC000095388358 218320647 /nfs/dbraw/zinc/32/06/47/218320647.db2.gz YYKNAWPVSHUDHS-OAHLLOKOSA-N 1 0 343.450 2.233 50 0 EEAARO C[NH+](C)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccnc1 ZINC000005041212 210371405 /nfs/dbraw/zinc/37/14/05/210371405.db2.gz CNXMIBITMKNZMG-QGZVFWFLSA-N 1 0 349.390 2.295 50 0 EEAARO COc1ccc(C[NH2+][C@H]2CC(=O)N(c3ccc(F)cc3)C2=O)cc1 ZINC000004837835 210293002 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ZINC000219864323 289451375 /nfs/dbraw/zinc/45/13/75/289451375.db2.gz FXKGIIJBHZETAO-OAHLLOKOSA-N 1 0 328.460 2.497 50 0 EEAARO Cc1nc(N(C)C2CCCCC2)ncc1[C@@H](C)NC(=O)C1([NH3+])CC1 ZINC000091636746 293289786 /nfs/dbraw/zinc/28/97/86/293289786.db2.gz VZNCCSAYVHMKJR-GFCCVEGCSA-N 1 0 331.464 2.222 50 0 EEAARO COc1cccc2ccc(CN3CCOC[C@@H](C[NH+](C)C)C3)nc21 ZINC000215696763 295343844 /nfs/dbraw/zinc/34/38/44/295343844.db2.gz IAKBXQAMFJAVMT-HNNXBMFYSA-N 1 0 329.444 2.253 50 0 EEAARO CCOc1ccc(NC(=O)C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000004183821 462629376 /nfs/dbraw/zinc/62/93/76/462629376.db2.gz DYXFVPQQVDRBSV-UHFFFAOYSA-N 1 0 347.459 2.449 50 0 EEAARO CC1(C)CCC[C@]2(O)[C@@H](c3ccc(Cl)cc3)n3cnc[n+]3C[C@@]12O ZINC000005231401 462651526 /nfs/dbraw/zinc/65/15/26/462651526.db2.gz VBVOMSJCFDVQSC-BPQIPLTHSA-N 1 0 348.854 2.099 50 0 EEAARO Cc1[nH+]c(N(C)C)nc(NCCCc2nnc3ccccn32)c1C ZINC000065406741 462766211 /nfs/dbraw/zinc/76/62/11/462766211.db2.gz RLTKAELXBWAJGK-UHFFFAOYSA-N 1 0 325.420 2.247 50 0 EEAARO CC(C)(C)C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cnnn2)c1 ZINC000012708252 462863583 /nfs/dbraw/zinc/86/35/83/462863583.db2.gz GFFOYHFKKMAWAW-HNNXBMFYSA-N 1 0 328.420 2.111 50 0 EEAARO CC[NH+]1CCN(c2nc(C)c(Cc3cccc(C)c3)c(=O)[nH]2)CC1 ZINC000013639114 462898689 /nfs/dbraw/zinc/89/86/89/462898689.db2.gz PREGKARSCRCOCV-UHFFFAOYSA-N 1 0 326.444 2.119 50 0 EEAARO COCCN1C(=O)N(CC(C)C)C(=O)C12CC[NH+](CC(C)C)CC2 ZINC000014741933 462931982 /nfs/dbraw/zinc/93/19/82/462931982.db2.gz SNOBAGQXYVCOKK-UHFFFAOYSA-N 1 0 339.480 2.044 50 0 EEAARO CN(C(=O)Cn1cccn1)[C@H]1CCC[N@H+](CCCc2ccccc2)C1 ZINC000014973350 462937253 /nfs/dbraw/zinc/93/72/53/462937253.db2.gz OCNYMRAMABCAGS-IBGZPJMESA-N 1 0 340.471 2.439 50 0 EEAARO CNC(=O)c1ccc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)o1 ZINC000077488190 462993923 /nfs/dbraw/zinc/99/39/23/462993923.db2.gz QWBJMGHHPHQNJE-IBGZPJMESA-N 1 0 345.443 2.006 50 0 EEAARO COc1ccc(OC[C@@H](O)C[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000019536208 463019233 /nfs/dbraw/zinc/01/92/33/463019233.db2.gz SFRYOSUYTNPIFI-SFHVURJKSA-N 1 0 342.439 2.257 50 0 EEAARO CC[NH+](CC)CC1=NC(=O)N[C@@H](c2ccc(C)cc2)C1C(=O)OC ZINC000051318280 463032177 /nfs/dbraw/zinc/03/21/77/463032177.db2.gz BSRMJEDPDSEQAU-INIZCTEOSA-N 1 0 331.416 2.118 50 0 EEAARO Cc1cc(C)n([C@H]2CC[N@H+](CCn3c4ccccc4oc3=O)C2)n1 ZINC000067726419 463043415 /nfs/dbraw/zinc/04/34/15/463043415.db2.gz UQIOEUPJXDTHGA-HNNXBMFYSA-N 1 0 326.400 2.355 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccccc2OC)n[nH]1 ZINC000095480292 463092974 /nfs/dbraw/zinc/09/29/74/463092974.db2.gz LVHVUOWHLOTTAT-ZDUSSCGKSA-N 1 0 328.416 2.299 50 0 EEAARO COc1nc(C)cc(C)c1C[NH2+]C1CCN(c2ncccn2)CC1 ZINC000095506696 463097242 /nfs/dbraw/zinc/09/72/42/463097242.db2.gz UELYKELDQNUYOY-UHFFFAOYSA-N 1 0 327.432 2.256 50 0 EEAARO O=C(CC[N@@H+]1CCC[C@H]1C(=O)NCc1ccco1)Nc1ccccc1 ZINC000026134742 463150967 /nfs/dbraw/zinc/15/09/67/463150967.db2.gz RGEDVCLWPPTESO-KRWDZBQOSA-N 1 0 341.411 2.389 50 0 EEAARO Cc1csc2nc(CN3CC[NH+](C4CCCC4)CC3)cc(=O)n12 ZINC000027118913 463182833 /nfs/dbraw/zinc/18/28/33/463182833.db2.gz DSLFQUKQSHGVJL-UHFFFAOYSA-N 1 0 332.473 2.125 50 0 EEAARO CCC(=O)Nc1cc(NC(=O)N2CC[C@H]([NH+](C)C)C2)ccc1OC ZINC000096133200 463183311 /nfs/dbraw/zinc/18/33/11/463183311.db2.gz VALABTBVQFNZPO-ZDUSSCGKSA-N 1 0 334.420 2.212 50 0 EEAARO C[N@H+](CCC(=O)Nc1sccc1C(N)=O)Cc1ccccc1F ZINC000028852526 463234252 /nfs/dbraw/zinc/23/42/52/463234252.db2.gz SHUONJJOTIOQOA-UHFFFAOYSA-N 1 0 335.404 2.447 50 0 EEAARO Cc1ccc(NC(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)cc1C ZINC000122307323 463253973 /nfs/dbraw/zinc/25/39/73/463253973.db2.gz OODUZOFDDRSTAW-QGZVFWFLSA-N 1 0 344.459 2.249 50 0 EEAARO CC(=O)N(C)CC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000069515595 463265110 /nfs/dbraw/zinc/26/51/10/463265110.db2.gz SOHAFQZGKJQGGN-MOPGFXCFSA-N 1 0 343.471 2.120 50 0 EEAARO COc1cccc(N2CC[NH+](CCC(=O)Nc3cc(C)on3)CC2)c1 ZINC000030964264 463318516 /nfs/dbraw/zinc/31/85/16/463318516.db2.gz RJMNZAAFVZWGMB-UHFFFAOYSA-N 1 0 344.415 2.142 50 0 EEAARO O=C([C@H]1CCC[N@H+](Cc2nc3ccccc3s2)C1)N1CCOCC1 ZINC000032888459 463400112 /nfs/dbraw/zinc/40/01/12/463400112.db2.gz NHMVJLDOVGYAQM-AWEZNQCLSA-N 1 0 345.468 2.367 50 0 EEAARO O=C(CC[NH+]1CCCCCC1)NC(=O)Nc1ccc2c(c1)OCO2 ZINC000032870663 463400413 /nfs/dbraw/zinc/40/04/13/463400413.db2.gz SBLYIYHOJNLUKP-UHFFFAOYSA-N 1 0 333.388 2.330 50 0 EEAARO CCCc1nnc2sc([C@@H]3CCC[N@@H+](C4CCOCC4)C3)nn12 ZINC000071422303 463415955 /nfs/dbraw/zinc/41/59/55/463415955.db2.gz ARQVOXBERCFUSR-GFCCVEGCSA-N 1 0 335.477 2.497 50 0 EEAARO CSc1ccc(NC(=O)NCc2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000082115351 463515710 /nfs/dbraw/zinc/51/57/10/463515710.db2.gz VXZKVJRPELGLSM-UHFFFAOYSA-N 1 0 331.445 2.420 50 0 EEAARO C[C@@H]1C[NH+](C[C@H]2CCCN2CC(=O)OCc2ccccc2)C[C@@H](C)O1 ZINC000106870075 463544590 /nfs/dbraw/zinc/54/45/90/463544590.db2.gz KKXCIWSILHDJKJ-ZHALLVOQSA-N 1 0 346.471 2.303 50 0 EEAARO COc1ccc(C[NH2+][C@@H]2CCN(S(C)(=O)=O)C[C@@H]2C)cc1Cl ZINC000106918526 463551835 /nfs/dbraw/zinc/55/18/35/463551835.db2.gz NPLYJUFBSYXNBF-SMDDNHRTSA-N 1 0 346.880 2.108 50 0 EEAARO c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](C[C@H]4CCOCO4)C3)n2)cc1 ZINC000108462887 463605284 /nfs/dbraw/zinc/60/52/84/463605284.db2.gz RLPJNZGNEZKVOJ-JKSUJKDBSA-N 1 0 328.416 2.414 50 0 EEAARO CCO[C@H]1CN(C(=O)c2ccc(C[NH+]3CCCCCC3)cc2)C[C@@H]1O ZINC000219924876 464112536 /nfs/dbraw/zinc/11/25/36/464112536.db2.gz PWYLVJNHZJORRK-OALUTQOASA-N 1 0 346.471 2.284 50 0 EEAARO Cn1c(CN2CCC(c3ccccc3)CC2)nnc1[C@H]1C[C@@H]([NH3+])C1 ZINC000220663543 464118803 /nfs/dbraw/zinc/11/88/03/464118803.db2.gz ILPWVIMTMXJKJL-QAQDUYKDSA-N 1 0 325.460 2.399 50 0 EEAARO CCOc1ccccc1CN(C)c1cc(C2CC([NH3+])C2)nc(N)n1 ZINC000222780172 464133144 /nfs/dbraw/zinc/13/31/44/464133144.db2.gz RTBYAIRBHMZKNU-UHFFFAOYSA-N 1 0 327.432 2.299 50 0 EEAARO O=C(C[NH+]1CCCC1)N[C@H](c1cnc2ccccc2c1)C1CC(O)C1 ZINC000223646762 464145057 /nfs/dbraw/zinc/14/50/57/464145057.db2.gz WFOXIGQUCGTBQH-LAGYLCCXSA-N 1 0 339.439 2.259 50 0 EEAARO Cc1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@H]3CCO)C2=O)cc1C ZINC000239309880 464441981 /nfs/dbraw/zinc/44/19/81/464441981.db2.gz HWPWTIFQZHFICX-RDJZCZTQSA-N 1 0 330.428 2.172 50 0 EEAARO CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C(=O)CNC(=O)c1ccccc1 ZINC000253415027 465003434 /nfs/dbraw/zinc/00/34/34/465003434.db2.gz ZKFVQHMXDMZLIC-ZWKOTPCHSA-N 1 0 343.471 2.139 50 0 biogenic EEAARO Fc1ccc2nc(C[N@@H+]3CC[C@H]4OCc5cnnn5[C@H]4C3)ccc2c1 ZINC000299773937 465886533 /nfs/dbraw/zinc/88/65/33/465886533.db2.gz GIIBWJYTANCVHP-ZWKOTPCHSA-N 1 0 339.374 2.311 50 0 EEAARO CN(Cc1nc2cc(Cl)ccc2[nH]1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000534579064 468263901 /nfs/dbraw/zinc/26/39/01/468263901.db2.gz XKQXRFCHLCQWCM-GFCCVEGCSA-N 1 0 335.839 2.452 50 0 EEAARO COCCn1cncc1C[NH2+]C1CCN(c2ccc(F)cc2)CC1 ZINC000584887605 468955243 /nfs/dbraw/zinc/95/52/43/468955243.db2.gz OOVOAKPKPOOVOS-UHFFFAOYSA-N 1 0 332.423 2.427 50 0 EEAARO Cc1nc([C@@H](C)[NH2+]C2CCN(C(=O)c3cnccn3)CC2)cs1 ZINC000584902835 468960276 /nfs/dbraw/zinc/96/02/76/468960276.db2.gz WCZDFUHLFYAYRC-LLVKDONJSA-N 1 0 331.445 2.197 50 0 EEAARO Cc1nc(C(F)(F)F)ncc1C[N@@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000670451578 485648787 /nfs/dbraw/zinc/64/87/87/485648787.db2.gz NIEHWYFVOQVVQT-JTQLQIEISA-N 1 0 326.326 2.302 50 0 EEAARO Cc1n[nH]c(C)c1CC(=O)N[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000670468369 485653521 /nfs/dbraw/zinc/65/35/21/485653521.db2.gz LUWNIROIWFPDAQ-CQSZACIVSA-N 1 0 332.473 2.411 50 0 EEAARO CCC[NH+]1CCC(CNC(=O)N2CC[C@H](Oc3cccnc3)C2)CC1 ZINC000129130978 528184457 /nfs/dbraw/zinc/18/44/57/528184457.db2.gz BRWZARQKRMRGBC-SFHVURJKSA-N 1 0 346.475 2.366 50 0 EEAARO CC[C@@H](C(=O)NCCCc1nc2ccccc2n1C)[NH+]1CCCC1 ZINC000244811735 535412271 /nfs/dbraw/zinc/41/22/71/535412271.db2.gz SKELHZNLBNZMTO-INIZCTEOSA-N 1 0 328.460 2.497 50 0 EEAARO COc1cccc(-c2ccc(C(=O)N3CCO[C@@H](C[NH3+])C3)cc2)c1 ZINC000244695623 537064791 /nfs/dbraw/zinc/06/47/91/537064791.db2.gz JPLLYFCVTOIQEY-SFHVURJKSA-N 1 0 326.396 2.162 50 0 EEAARO Cc1ccc(N2CCC[C@H]([NH2+]CC[S@@](=O)c3ccccc3)C2)nn1 ZINC000206486609 564002129 /nfs/dbraw/zinc/00/21/29/564002129.db2.gz JLVGMGDGXIBZRH-UPCLLVRISA-N 1 0 344.484 2.151 50 0 EEAARO Cc1nccn1CC(=O)N1CCC(n2cc(C3CCCC3)nn2)CC1 ZINC000023158397 678810290 /nfs/dbraw/zinc/81/02/90/678810290.db2.gz FNBWENPQZSCUDC-UHFFFAOYSA-N 1 0 342.447 2.304 50 0 EEAARO CCOC(=O)N1CCN([C@@H]2CCC[N@@H+](C3CCSCC3)C2)CC1 ZINC000023373910 681383733 /nfs/dbraw/zinc/38/37/33/681383733.db2.gz XJUHLRUDTOAMIU-MRXNPFEDSA-N 1 0 341.521 2.121 50 0 EEAARO CCn1nc(C)c(CN2CC[C@@H]([NH+]3CCCCCC3)[C@H](O)C2)c1C ZINC000014979196 1226383582 /nfs/dbraw/zinc/38/35/82/1226383582.db2.gz PYSYTOHTSRJZJX-RTBURBONSA-N 1 0 334.508 2.331 50 0 EEAARO Cc1ccc2n[nH]c(C(=O)NC[C@H]3CC[N@@H+](C4CCOCC4)C3)c2c1 ZINC000067692072 1249916770 /nfs/dbraw/zinc/91/67/70/1249916770.db2.gz KXPOZXQQKLDKAT-CQSZACIVSA-N 1 0 342.443 2.102 50 0 EEAARO CCCN1C[C@H](C(=O)N2CCC[N@H+](CC=C(C)C)CC2)CCC1=O ZINC001772808114 1410368504 /nfs/dbraw/zinc/36/85/04/1410368504.db2.gz ZJOFPSFBMFCKCO-QGZVFWFLSA-N 1 0 335.492 2.136 50 0 EEAARO Cc1ccc(C[N@@H+]2C[C@@H]3CN(c4nccs4)C[C@@]3(CO)C2)s1 ZINC001772812112 1410370066 /nfs/dbraw/zinc/37/00/66/1410370066.db2.gz AQTZVGOGXZPBTL-CZUORRHYSA-N 1 0 335.498 2.444 50 0 EEAARO CCCc1nc(C(=O)N2CC[N@H+](CC(C)C)[C@@H](CCO)C2)cs1 ZINC000952872804 796057508 /nfs/dbraw/zinc/05/75/08/796057508.db2.gz CKWKAQUTCKVTIV-AWEZNQCLSA-N 1 0 339.505 2.260 50 0 EEAARO Cc1ccc(C[NH2+][C@@H]2C3CN4CC2(c2ccccc2)CN(C3)CC4)o1 ZINC000952986294 796152212 /nfs/dbraw/zinc/15/22/12/796152212.db2.gz GPMVWSNXTOYCIQ-TWMPVWRBSA-N 1 0 337.467 2.245 50 0 EEAARO CCc1c(C(=O)NC2CC2)c(=O)cc(C)n1C[C@H]1CCC[N@H+]1CC ZINC000012041298 799656909 /nfs/dbraw/zinc/65/69/09/799656909.db2.gz MGLSDTXCGZICTG-OAHLLOKOSA-N 1 0 331.460 2.096 50 0 EEAARO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)C(=O)c2cccn2C)C1 ZINC000825235613 800320935 /nfs/dbraw/zinc/32/09/35/800320935.db2.gz PXYYJHBYTFUNTJ-MRXNPFEDSA-N 1 0 339.439 2.122 50 0 EEAARO CCCC[N@H+](C)CCCNC(=O)Cn1c2ccccc2sc1=O ZINC000002601889 539326800 /nfs/dbraw/zinc/32/68/00/539326800.db2.gz FOVXFYNKMOHPDL-UHFFFAOYSA-N 1 0 335.473 2.301 50 0 EEAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)CC1 ZINC000015778113 539328421 /nfs/dbraw/zinc/32/84/21/539328421.db2.gz CWBKRZPFWJYLHH-UHFFFAOYSA-N 1 0 343.406 2.318 50 0 EEAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2cccc(C)c2C)CC1 ZINC000004305055 210164785 /nfs/dbraw/zinc/16/47/85/210164785.db2.gz WETJTFYVZAPPKP-QGZVFWFLSA-N 1 0 335.444 2.318 50 0 EEAARO COCC[N@@H+]1CC[C@H](C(=O)N(C)Cc2c[nH]c3ccc(C)cc23)C1 ZINC000067540923 215159466 /nfs/dbraw/zinc/15/94/66/215159466.db2.gz VXALGQVDVFRWHV-HNNXBMFYSA-N 1 0 329.444 2.403 50 0 EEAARO C=Cn1cc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccncc3C)C2)cn1 ZINC000067649482 215174213 /nfs/dbraw/zinc/17/42/13/215174213.db2.gz MISAUVDQMNTEJK-INIZCTEOSA-N 1 0 339.443 2.329 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1C1CN(C(=O)CCc2cn3ccccc3n2)C1 ZINC000067772828 215209745 /nfs/dbraw/zinc/20/97/45/215209745.db2.gz UECIVTPSIJEQGH-OAHLLOKOSA-N 1 0 326.444 2.352 50 0 EEAARO CC(C)c1ncc(C[N@@H+]2CC[C@H](CNC(=O)c3ccc[nH]3)C2)cn1 ZINC000067789919 215214293 /nfs/dbraw/zinc/21/42/93/215214293.db2.gz FEJOPODNGZMUJN-CQSZACIVSA-N 1 0 327.432 2.180 50 0 EEAARO COc1ccc(C(C)C)cc1S(=O)(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000067843582 215228606 /nfs/dbraw/zinc/22/86/06/215228606.db2.gz VXKKUPVVNHLQOF-AWEZNQCLSA-N 1 0 340.489 2.439 50 0 EEAARO O=c1oc2ccccc2n1CC[N@@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000067871582 215235718 /nfs/dbraw/zinc/23/57/18/215235718.db2.gz LUHKZDCRIOHFRO-OAHLLOKOSA-N 1 0 326.400 2.203 50 0 EEAARO COCC(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000067907887 215247202 /nfs/dbraw/zinc/24/72/02/215247202.db2.gz KNODULTVTUTCFL-LBPRGKRZSA-N 1 0 330.350 2.290 50 0 EEAARO Cc1c(CN2CC[N@H+](CC3CCCCC3)[C@H](CCO)C2)cnn1C ZINC000039446910 213236965 /nfs/dbraw/zinc/23/69/65/213236965.db2.gz PAGJMFZGLNBBTB-LJQANCHMSA-N 1 0 334.508 2.177 50 0 EEAARO c1[nH]nc(-c2cccnc2)c1C[NH2+][C@@H]1CCCN(c2cccnn2)C1 ZINC000105905092 219592012 /nfs/dbraw/zinc/59/20/12/219592012.db2.gz BGFSTQDXYSXTEU-MRXNPFEDSA-N 1 0 335.415 2.020 50 0 EEAARO O=c1c2cn[nH]c2nc(SCC[NH+]2CCCC2)n1-c1ccccc1 ZINC000036646138 213107202 /nfs/dbraw/zinc/10/72/02/213107202.db2.gz VMIOEGLMBJXUEA-UHFFFAOYSA-N 1 0 341.440 2.297 50 0 EEAARO Cc1nc(C(C)C)sc1C(=O)N1CCO[C@H](CC[NH+](C)C)C1 ZINC000071757330 215813500 /nfs/dbraw/zinc/81/35/00/215813500.db2.gz AFWGIGGOLVOPGN-CYBMUJFWSA-N 1 0 325.478 2.368 50 0 EEAARO Cc1nc[nH]c1C[N@@H+]1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072119562 216013592 /nfs/dbraw/zinc/01/35/92/216013592.db2.gz HZECHWPVAPSZDF-DFQSSKMNSA-N 1 0 338.455 2.486 50 0 EEAARO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc4nsnc4c3)C2)cc(=O)[nH]1 ZINC000072162166 216050422 /nfs/dbraw/zinc/05/04/22/216050422.db2.gz KEPLVOFNCRDYBF-CYBMUJFWSA-N 1 0 341.440 2.463 50 0 EEAARO Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CCC[C@@](O)(CO)CC1 ZINC000072157835 216046482 /nfs/dbraw/zinc/04/64/82/216046482.db2.gz SUCBDBSWGSHLRW-IBGZPJMESA-N 1 0 329.444 2.198 50 0 EEAARO Cc1cc(C)c(-n2cccn2)c(CN2CCOC[C@H](C[NH+](C)C)C2)c1 ZINC000072158547 216048042 /nfs/dbraw/zinc/04/80/42/216048042.db2.gz APMHBJBGWQUWRL-GOSISDBHSA-N 1 0 342.487 2.499 50 0 EEAARO Cn1c(CN2CCCC2)nnc1[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072410491 216202323 /nfs/dbraw/zinc/20/23/23/216202323.db2.gz VAJMGAUOCXLLNE-KRWDZBQOSA-N 1 0 340.475 2.186 50 0 EEAARO Cc1ccc(CN2CCN(Cc3cccc(CC[NH3+])c3)CC2=O)cc1 ZINC000072479233 216259267 /nfs/dbraw/zinc/25/92/67/216259267.db2.gz UCXYFABZCIUQLA-UHFFFAOYSA-N 1 0 337.467 2.341 50 0 EEAARO CCOc1ccc(CC(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cc1 ZINC000072481196 216262116 /nfs/dbraw/zinc/26/21/16/216262116.db2.gz ZKSFNTPQRIDLEG-UHFFFAOYSA-N 1 0 339.439 2.293 50 0 EEAARO O=C(C[NH+]1CCCCCC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000023625144 212386164 /nfs/dbraw/zinc/38/61/64/212386164.db2.gz OKUOYHHYINFFLY-UHFFFAOYSA-N 1 0 331.460 2.333 50 0 EEAARO COCC[NH+]1CCC(CNC(=O)c2cc(Cl)ccc2OC)CC1 ZINC000023014179 212341731 /nfs/dbraw/zinc/34/17/31/212341731.db2.gz HRSVDZZEXGYTJL-UHFFFAOYSA-N 1 0 340.851 2.437 50 0 EEAARO C[NH+]1CCN([C@H](CNC(=O)c2ccccc2)c2ccsc2)CC1 ZINC000022765644 212322404 /nfs/dbraw/zinc/32/24/04/212322404.db2.gz BAFUSQYXIIMIQY-QGZVFWFLSA-N 1 0 329.469 2.467 50 0 EEAARO COc1ccc(CN2CCOC[C@H](C[NH+](C)C)C2)c(Cl)c1OC ZINC000215013429 241102857 /nfs/dbraw/zinc/10/28/57/241102857.db2.gz IKZIDPYIDIUNGU-CYBMUJFWSA-N 1 0 342.867 2.367 50 0 EEAARO CN1CC[N@H+](Cc2cccc(OCC(N)=O)c2)C[C@@H]1c1ccccc1 ZINC000215063896 241105732 /nfs/dbraw/zinc/10/57/32/241105732.db2.gz RWICFAFHQQLUHG-LJQANCHMSA-N 1 0 339.439 2.039 50 0 EEAARO CSc1ncc(CN2CCCC[C@@H]2CC[NH+]2CCN(C)CC2)cn1 ZINC000215201392 241110736 /nfs/dbraw/zinc/11/07/36/241110736.db2.gz VSPRMCZLVJAOPA-QGZVFWFLSA-N 1 0 349.548 2.191 50 0 EEAARO Cn1c(CSc2nnc(C3CC[NH2+]CC3)n2C)nc2ccccc21 ZINC000426380295 241272419 /nfs/dbraw/zinc/27/24/19/241272419.db2.gz DEHMHUMPIRTVFM-UHFFFAOYSA-N 1 0 342.472 2.461 50 0 EEAARO Cc1cc(C)nc(CNC(=O)N(C)Cc2ccccc2C[NH+](C)C)n1 ZINC000426428806 241285577 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/nfs/dbraw/zinc/55/77/63/463557763.db2.gz KPSFDCTULSSTLT-MELADBBJSA-N 1 0 338.452 2.294 50 0 EEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1C[C@@H]1c1ccccc1 ZINC000058403408 463592282 /nfs/dbraw/zinc/59/22/82/463592282.db2.gz WBLNUIFMQHSMJP-SJLPKXTDSA-N 1 0 326.444 2.211 50 0 EEAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCC(c3cccc(O)c3)CC2)n1 ZINC000223785291 464146970 /nfs/dbraw/zinc/14/69/70/464146970.db2.gz ZHQLCKHJHKGUCK-UHFFFAOYSA-N 1 0 339.443 2.353 50 0 EEAARO O=C(C[NH+]1CCCCC1)N[C@H](c1ccc2c(c1)CCO2)[C@H]1C[C@@H](O)C1 ZINC000244795964 464462880 /nfs/dbraw/zinc/46/28/80/464462880.db2.gz RQMWCVSEARLPHG-FUHIMQAGSA-N 1 0 344.455 2.036 50 0 EEAARO O=C(CO[C@@H](c1ccccc1)C(F)(F)F)NCC1CC[NH2+]CC1 ZINC000244874459 464464770 /nfs/dbraw/zinc/46/47/70/464464770.db2.gz XBPPLJNCZRSERY-HNNXBMFYSA-N 1 0 330.350 2.422 50 0 EEAARO Cc1nn(C)c(C)c1-c1ccnc(N2CCC[N@@H+]3CCC[C@H]3C2)n1 ZINC000244872870 464465634 /nfs/dbraw/zinc/46/56/34/464465634.db2.gz WFTOCWYHAXCRTH-HNNXBMFYSA-N 1 0 326.448 2.168 50 0 EEAARO COc1ccccc1CNC(=O)C[N@@H+]1CCCC2(CCOCC2)C1 ZINC000252499156 464971343 /nfs/dbraw/zinc/97/13/43/464971343.db2.gz RWHWLRSWZLJSKC-UHFFFAOYSA-N 1 0 332.444 2.204 50 0 EEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)c1n[nH]c2c1CCCC2 ZINC000252505751 464973544 /nfs/dbraw/zinc/97/35/44/464973544.db2.gz VTKPFZMTSQCLIW-INIZCTEOSA-N 1 0 338.455 2.417 50 0 EEAARO Cc1c[nH]c(CN(C)C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)n1 ZINC000534574507 468264122 /nfs/dbraw/zinc/26/41/22/468264122.db2.gz BCGDCKVPJUNFRP-MRXNPFEDSA-N 1 0 329.448 2.471 50 0 EEAARO O=C(NCCCn1cc(Cl)cn1)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000584894571 468957973 /nfs/dbraw/zinc/95/79/73/468957973.db2.gz INPIJQWHHXPRLT-OAHLLOKOSA-N 1 0 339.871 2.196 50 0 EEAARO CCOC(=O)N1CC[C@H]([NH2+]Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000584904099 468960880 /nfs/dbraw/zinc/96/08/80/468960880.db2.gz OSPLPJIYWPPGDV-HNNXBMFYSA-N 1 0 332.379 2.332 50 0 EEAARO Cc1[nH]c2ccccc2c(=O)c1CC[C@H](C)[NH2+]CCc1ncnn1C ZINC000584904207 468960914 /nfs/dbraw/zinc/96/09/14/468960914.db2.gz UPNWLDMHFFOFGT-ZDUSSCGKSA-N 1 0 339.443 2.118 50 0 EEAARO CCn1cc([C@@H]2OCC[C@H]2C[NH2+]CC2(O)Cc3ccccc3C2)cn1 ZINC000657371103 471116410 /nfs/dbraw/zinc/11/64/10/471116410.db2.gz TWBLFKCVKSDBIC-PKOBYXMFSA-N 1 0 341.455 2.100 50 0 EEAARO COc1ccc(Oc2ccc(NC(=O)[C@@H](N)CC[NH+](C)C)cn2)cc1 ZINC000653122153 471498999 /nfs/dbraw/zinc/49/89/99/471498999.db2.gz OGAAZICWQPWKNS-INIZCTEOSA-N 1 0 344.415 2.100 50 0 EEAARO COc1ccc(-n2c(CC[NH3+])nnc2SC[C@H]2CCCCO2)cc1 ZINC000426534558 536552418 /nfs/dbraw/zinc/55/24/18/536552418.db2.gz XUQKSHBBDZIDDS-OAHLLOKOSA-N 1 0 348.472 2.438 50 0 EEAARO CC(C)Cc1ccc(CN2CC[C@@H]([NH+]3CCC(O)CC3)[C@H](O)C2)cc1 ZINC000015079443 675082683 /nfs/dbraw/zinc/08/26/83/675082683.db2.gz UVPLQNIUDMFGNU-NHCUHLMSSA-N 1 0 346.515 2.277 50 0 EEAARO CCc1ccc([C@@H](CNC(=O)/C=C\c2cnn(C)c2)[NH+](C)C)cc1 ZINC000103384276 1204570371 /nfs/dbraw/zinc/57/03/71/1204570371.db2.gz SKAGGYKPTGPQHF-IBWPDUFMSA-N 1 0 326.444 2.415 50 0 EEAARO O=C(CCOc1ccccc1)N1C[C@@H](CO)C[C@H](C[NH+]2CCCC2)C1 ZINC000091289222 1213617449 /nfs/dbraw/zinc/61/74/49/1213617449.db2.gz FRSQDIPABVCLDM-MSOLQXFVSA-N 1 0 346.471 2.008 50 0 EEAARO C/C=C(\C)C[N@H+]1CCc2nnc([C@@H](CC(C)C)NC(C)=O)n2CC1 ZINC000014996923 1226433415 /nfs/dbraw/zinc/43/34/15/1226433415.db2.gz VJAOHQAAQBJFTR-QHDPKREISA-N 1 0 333.480 2.326 50 0 EEAARO C[C@H](Cc1cnccn1)Nc1nc(-c2ccncc2)nc2c1CC[NH2+]C2 ZINC000067973952 1250221834 /nfs/dbraw/zinc/22/18/34/1250221834.db2.gz PXUMHPVVIDGJQA-CYBMUJFWSA-N 1 0 347.426 2.017 50 0 EEAARO CCc1nc(-c2ccc(N3CC[NH+](C)CC3)cc2)n([C@@H]2CCOC2)n1 ZINC001772808424 1410368301 /nfs/dbraw/zinc/36/83/01/1410368301.db2.gz PSSRIKSMBUPBJN-QGZVFWFLSA-N 1 0 341.459 2.221 50 0 EEAARO COc1cccc(-c2ncc(CNc3nnc(CC[NH3+])o3)s2)c1 ZINC001772807180 1410369102 /nfs/dbraw/zinc/36/91/02/1410369102.db2.gz QKWUZLGXFVSFNA-UHFFFAOYSA-N 1 0 331.401 2.315 50 0 EEAARO CCCNc1ncc(C[NH+]2CCC(c3ccn(C)c(=O)c3)CC2)cn1 ZINC001772810081 1410370035 /nfs/dbraw/zinc/37/00/35/1410370035.db2.gz IQMOSHJGYRZPSO-UHFFFAOYSA-N 1 0 341.459 2.377 50 0 EEAARO C[C@H](C(=O)N1CCC(c2ccn(C)c(=O)c2)CC1)[NH+]1CCCCCC1 ZINC001772810629 1410370282 /nfs/dbraw/zinc/37/02/82/1410370282.db2.gz NIPFUJCYIWIXLG-MRXNPFEDSA-N 1 0 345.487 2.356 50 0 EEAARO Cc1cc(C)n(C[C@@H](C)[N@@H+]2CCCN(C(=O)c3ccccn3)CC2)n1 ZINC001772819392 1410372357 /nfs/dbraw/zinc/37/23/57/1410372357.db2.gz KRKBRXXBQQWTOK-QGZVFWFLSA-N 1 0 341.459 2.132 50 0 EEAARO CC[NH+]1CCC2(CCCN(c3nc(C)c(C)cc3C(N)=O)C2)CC1 ZINC000823107068 798698973 /nfs/dbraw/zinc/69/89/73/798698973.db2.gz PXDWCFJWJPTJDV-UHFFFAOYSA-N 1 0 330.476 2.500 50 0 EEAARO COc1ccccc1C[NH+]1CCC2(CC[C@@H](CNC(C)=O)O2)CC1 ZINC000011997662 799504179 /nfs/dbraw/zinc/50/41/79/799504179.db2.gz ITMNRUXSHSDTLF-KRWDZBQOSA-N 1 0 332.444 2.345 50 0 EEAARO COCC[N@@H+]1CC[C@H](C(=O)Nc2ccc(N3CCCC3=O)c(C)c2)C1 ZINC000824412404 800265236 /nfs/dbraw/zinc/26/52/36/800265236.db2.gz NTQMORKBQOULSF-HNNXBMFYSA-N 1 0 345.443 2.029 50 0 EEAARO O=c1c2ccc[nH]c-2cn1CC1([NH+]2CCOCC2)CCCCCC1 ZINC000065395286 802844667 /nfs/dbraw/zinc/84/46/67/802844667.db2.gz UAOWHOCRZDYKSJ-UHFFFAOYSA-N 1 0 329.444 2.463 50 0 EEAARO c1coc(C[NH+]2CCC(NCc3noc([C@H]4CCCO4)n3)CC2)c1 ZINC001506397171 1114595064 /nfs/dbraw/zinc/59/50/64/1114595064.db2.gz IODUHEPVQABKIA-OAHLLOKOSA-N 1 0 332.404 2.268 50 0 EEAARO Cc1ccc(N2CCC([NH2+][C@@H](CCC[NH3+])C(=O)[O-])CC2)cc1Cl ZINC001506404426 1114597185 /nfs/dbraw/zinc/59/71/85/1114597185.db2.gz DIARNMMKIPSAHO-INIZCTEOSA-N 1 0 339.867 2.399 50 0 EEAARO Cc1ncsc1CCC(=O)Nc1ccnn1C1CC[NH+](C)CC1 ZINC001506416605 1114600744 /nfs/dbraw/zinc/60/07/44/1114600744.db2.gz XJKVBJVXBDISJJ-UHFFFAOYSA-N 1 0 333.461 2.486 50 0 EEAARO Cc1c[nH+]ccc1N1CCN(CC(=O)N[C@H](C)c2ccccc2)CC1 ZINC001506421211 1114601746 /nfs/dbraw/zinc/60/17/46/1114601746.db2.gz NDVRFDAQRAVLPS-QGZVFWFLSA-N 1 0 338.455 2.389 50 0 EEAARO O=C1OC[C@H]2C[N@H+](C3CCN(c4ccc(F)c(F)c4)CC3)CCN12 ZINC001506421981 1114601856 /nfs/dbraw/zinc/60/18/56/1114601856.db2.gz XRCOKUSZKNSCSV-CQSZACIVSA-N 1 0 337.370 2.070 50 0 EEAARO Nc1nc(NCC2CC[NH+](Cc3ccccc3)CC2)cc2nncn21 ZINC001529178899 1121355551 /nfs/dbraw/zinc/35/55/51/1121355551.db2.gz ULYFSCYPJRCLMP-UHFFFAOYSA-N 1 0 337.431 2.031 50 0 EEAARO Cc1cc(NC(=O)C[NH2+]C[C@H]2CCCO2)ccc1Br ZINC000019861760 202023739 /nfs/dbraw/zinc/02/37/39/202023739.db2.gz PNXNLHFYCOIFAA-GFCCVEGCSA-N 1 0 327.222 2.465 50 0 EEAARO [NH3+]Cc1cn(C[C@H]2CCCN(C(=O)C/C=C/c3ccccc3)C2)nn1 ZINC000019866400 202024391 /nfs/dbraw/zinc/02/43/91/202024391.db2.gz WXUKNLZZYXOAAS-AUNFYEFLSA-N 1 0 339.443 2.079 50 0 EEAARO C[C@@H](C[NH2+]Cc1ccc2c(c1)OCO2)NCc1ccc2c(c1)OCO2 ZINC000019973701 202029119 /nfs/dbraw/zinc/02/91/19/202029119.db2.gz BGARWZAFOXENBF-ZDUSSCGKSA-N 1 0 342.395 2.412 50 0 EEAARO CCc1ccc(N2C(=O)C[C@H]([N@@H+]3CCCC[C@@H]3CCO)C2=O)cc1 ZINC000020517633 202047189 /nfs/dbraw/zinc/04/71/89/202047189.db2.gz ULYWJOJGQJEMED-WBVHZDCISA-N 1 0 330.428 2.118 50 0 EEAARO CC[NH+](CC)CCNC(=O)[C@@H]1CCN(c2ccc(Cl)cc2)C1=O ZINC000021932926 202074581 /nfs/dbraw/zinc/07/45/81/202074581.db2.gz RLZJBWJSUSAZBJ-HNNXBMFYSA-N 1 0 337.851 2.151 50 0 EEAARO CC[NH+]1CCN(CCNC(=O)Nc2ccccc2C(F)(F)F)CC1 ZINC000023114581 202097574 /nfs/dbraw/zinc/09/75/74/202097574.db2.gz UMBMOOSSGCMSAC-UHFFFAOYSA-N 1 0 344.381 2.464 50 0 EEAARO COc1ccc(/C=C/C[NH+]2CCC(n3cc(CO)nn3)CC2)cc1 ZINC000023619049 202105557 /nfs/dbraw/zinc/10/55/57/202105557.db2.gz JJROVBOOLCRYOV-NSCUHMNNSA-N 1 0 328.416 2.129 50 0 EEAARO Cc1cccc(OC[C@@H](O)C[N@H+](CCC(N)=O)Cc2ccccc2)c1 ZINC000025302944 202128294 /nfs/dbraw/zinc/12/82/94/202128294.db2.gz SIOBKSVUHDPJSP-SFHVURJKSA-N 1 0 342.439 2.112 50 0 EEAARO c1ccc(-n2nnnc2NCC2([NH+]3CCOCC3)CCCCC2)cc1 ZINC000025784878 202136445 /nfs/dbraw/zinc/13/64/45/202136445.db2.gz WFIPAHJRIFQTHQ-UHFFFAOYSA-N 1 0 342.447 2.109 50 0 EEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2ccc(-n3cncn3)cc2)N1 ZINC000028511616 283270518 /nfs/dbraw/zinc/27/05/18/283270518.db2.gz KOJILNBDMUQCBA-HNNXBMFYSA-N 1 0 330.355 2.114 50 0 EEAARO COc1cc(C(=O)NCC2([NH+](C)C)CCCC2)cc(OC)c1OC ZINC000032682577 202231080 /nfs/dbraw/zinc/23/10/80/202231080.db2.gz DUIRTXBFKZHQDM-UHFFFAOYSA-N 1 0 336.432 2.317 50 0 EEAARO CC(C)OC[C@H](O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000033537786 202266410 /nfs/dbraw/zinc/26/64/10/202266410.db2.gz DKAFBZZVFJWSEJ-CQSZACIVSA-N 1 0 347.381 2.008 50 0 EEAARO C[C@H](C(=O)N1CCOCC1)[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000029825394 201065681 /nfs/dbraw/zinc/06/56/81/201065681.db2.gz DTLCIGXFKDRPJD-HUUCEWRRSA-N 1 0 343.427 2.255 50 0 EEAARO c1cc(C2CC[NH+](CCCc3nnnn3-c3ccccc3)CC2)n[nH]1 ZINC000058208900 201141798 /nfs/dbraw/zinc/14/17/98/201141798.db2.gz PMDAZOZDUPXUFY-UHFFFAOYSA-N 1 0 337.431 2.198 50 0 EEAARO Cc1ccc(C(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)cc1O ZINC000215121608 241107585 /nfs/dbraw/zinc/10/75/85/241107585.db2.gz ZQQGUMOEGJEMRY-KRWDZBQOSA-N 1 0 332.444 2.418 50 0 EEAARO O=C([C@H]1CC[NH2+]C1)N1CCc2[nH]c(-c3ccc(Cl)cc3)nc2C1 ZINC000215437832 241125421 /nfs/dbraw/zinc/12/54/21/241125421.db2.gz ONSXDZWJARMXAM-LBPRGKRZSA-N 1 0 330.819 2.224 50 0 EEAARO CN(Cc1cc(C2CC2)n[nH]1)Cc1ccc(OCC(N)=O)c(Cl)c1 ZINC000215500439 241128593 /nfs/dbraw/zinc/12/85/93/241128593.db2.gz QJYAFVQCDSELLE-UHFFFAOYSA-N 1 0 348.834 2.437 50 0 EEAARO [NH3+]CCOc1ccc(CC(=O)NCc2cc(F)c(F)cc2F)cc1 ZINC000426386885 241273632 /nfs/dbraw/zinc/27/36/32/241273632.db2.gz KOLCERTZURPGIH-UHFFFAOYSA-N 1 0 338.329 2.300 50 0 EEAARO CC(C)[NH+]1CCC(CNC(=O)N2CCC[C@H](Cn3ccnc3)C2)CC1 ZINC000426674295 241325477 /nfs/dbraw/zinc/32/54/77/241325477.db2.gz OWWIWMXMPAIWEW-GOSISDBHSA-N 1 0 347.507 2.425 50 0 EEAARO Cc1nnc(CN(C)C(=O)NCC[C@H]2CCCC[N@H+]2CC(C)C)o1 ZINC000426574899 241311049 /nfs/dbraw/zinc/31/10/49/241311049.db2.gz YXKIZHWFWSHHJE-OAHLLOKOSA-N 1 0 337.468 2.420 50 0 EEAARO Nc1nc(CCCNC(=O)CC[NH+]2Cc3ccccc3C2)cs1 ZINC000218869663 241347466 /nfs/dbraw/zinc/34/74/66/241347466.db2.gz JACKWMLBJAZSLW-UHFFFAOYSA-N 1 0 330.457 2.180 50 0 EEAARO O=C(CSCC[NH+]1CCCC1)N1CCC(c2ccncn2)CC1 ZINC000219516569 241392354 /nfs/dbraw/zinc/39/23/54/241392354.db2.gz KALIGOIPHYXMIK-UHFFFAOYSA-N 1 0 334.489 2.012 50 0 EEAARO [NH2+]=C1Nc2nc3ccccc3n2[C@@H](c2c[nH]nc2-c2cccc(O)c2)N1 ZINC000001430236 201508258 /nfs/dbraw/zinc/50/82/58/201508258.db2.gz DIAGFJRVICBLFG-INIZCTEOSA-N 1 0 345.366 2.228 50 0 EEAARO [NH3+][C@H]1C[C@H](c2cc(NCc3nncn3CCc3ccccc3)ncn2)C1 ZINC000244828533 243088508 /nfs/dbraw/zinc/08/85/08/243088508.db2.gz TXYBZTFOCURXHB-WKILWMFISA-N 1 0 349.442 2.128 50 0 EEAARO Cc1cccc(C)c1OC1CN(c2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)C1 ZINC000244893989 243099739 /nfs/dbraw/zinc/09/97/39/243099739.db2.gz YXRXJXWOEYEUBC-OKILXGFUSA-N 1 0 340.427 2.182 50 0 EEAARO CC(C)[C@H]1C[N@H+](CCCC(N)=O)CCC(=O)N1Cc1ccc(F)cc1 ZINC000071774967 203112184 /nfs/dbraw/zinc/11/21/84/203112184.db2.gz YBGAWSYLAVLBMJ-QGZVFWFLSA-N 1 0 349.450 2.150 50 0 EEAARO C[C@@H](CNc1nc(-c2ccncc2)nc2c1C[NH2+]C2)Oc1cccnc1 ZINC000072133855 203167234 /nfs/dbraw/zinc/16/72/34/203167234.db2.gz DGIPXJQONQKAAG-ZDUSSCGKSA-N 1 0 348.410 2.416 50 0 EEAARO COC(=O)c1cc(C[N@@H+]2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)cs1 ZINC000072150088 203172583 /nfs/dbraw/zinc/17/25/83/203172583.db2.gz FFYLICPWDMEGSN-ZDUSSCGKSA-N 1 0 347.440 2.306 50 0 EEAARO CC(C)[C@H]1CN(C(=O)c2cnn3ccn(C)c23)CCC[N@@H+]1CC1CC1 ZINC000072153017 203173575 /nfs/dbraw/zinc/17/35/75/203173575.db2.gz IUGWDGMRSRXFRU-QGZVFWFLSA-N 1 0 343.475 2.255 50 0 EEAARO Cc1ccc2ncc(C(=O)N3CCC[C@H]([NH+](C)C)CC3)c(O)c2c1 ZINC000072164788 203177854 /nfs/dbraw/zinc/17/78/54/203177854.db2.gz MSUBIEBETKZLLO-AWEZNQCLSA-N 1 0 327.428 2.393 50 0 EEAARO CN(Cc1nc2cc(Cl)ccc2[nH]1)c1ncnc2c1CC[NH2+]CC2 ZINC000072423945 203219560 /nfs/dbraw/zinc/21/95/60/203219560.db2.gz AWNBULRSINOWEQ-UHFFFAOYSA-N 1 0 342.834 2.331 50 0 EEAARO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(NC2CCOCC2)nc1 ZINC000015063234 203275048 /nfs/dbraw/zinc/27/50/48/203275048.db2.gz UXIHQINYKGEOBN-KRWDZBQOSA-N 1 0 346.475 2.277 50 0 EEAARO C[C@H](C1CCN(c2nc(C(F)(F)F)ccc2C(N)=O)CC1)[NH+](C)C ZINC000077386960 203384378 /nfs/dbraw/zinc/38/43/78/203384378.db2.gz JEXUDNCAILJZDQ-SNVBAGLBSA-N 1 0 344.381 2.366 50 0 EEAARO COc1cccc(OC[C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)c1 ZINC000077424465 203387197 /nfs/dbraw/zinc/38/71/97/203387197.db2.gz ZRFOUTNPHDMQLQ-INIZCTEOSA-N 1 0 332.444 2.408 50 0 EEAARO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cnc(N2CCCCC2)nc1 ZINC000077408256 203387346 /nfs/dbraw/zinc/38/73/46/203387346.db2.gz IWRGILHHJFSXOX-GOSISDBHSA-N 1 0 345.491 2.348 50 0 EEAARO O=C(N1CC[NH2+]CC1)C(F)(F)c1ncc(C(F)(F)F)cc1Cl ZINC000261494765 244594482 /nfs/dbraw/zinc/59/44/82/244594482.db2.gz DVPIDCIWTWAFNC-UHFFFAOYSA-N 1 0 343.683 2.277 50 0 EEAARO CC[C@@H](C(=O)N1CCN(Cc2ccc(C)cc2)C(=O)C1)[NH+]1CCCC1 ZINC000077469985 203389956 /nfs/dbraw/zinc/38/99/56/203389956.db2.gz JWBBUBXZCUNRJB-SFHVURJKSA-N 1 0 343.471 2.040 50 0 EEAARO COCCN1C[C@@]2(CCC[N@H+](Cc3c(C)noc3C)C2)CCC1=O ZINC000077517875 203392643 /nfs/dbraw/zinc/39/26/43/203392643.db2.gz AMQRIHNRAUAPSN-SFHVURJKSA-N 1 0 335.448 2.142 50 0 EEAARO CC[NH+](CC)C[C@H](O)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000019358641 212020971 /nfs/dbraw/zinc/02/09/71/212020971.db2.gz SJIABXDRMCGUGX-SFHVURJKSA-N 1 0 339.911 2.160 50 0 EEAARO CC1(C)C[C@H](C[N@H+]2C[C@H]3[C@H](C(=O)NCc4cccnc4)[C@H]3C2)CCO1 ZINC000102379016 204036589 /nfs/dbraw/zinc/03/65/89/204036589.db2.gz HESNZXCOAANGEP-BGTYHANMSA-N 1 0 343.471 2.081 50 0 EEAARO CC[NH+](CC)CCC[C@@H](C)NS(=O)(=O)c1ccc(OC)cc1 ZINC000006509654 284606892 /nfs/dbraw/zinc/60/68/92/284606892.db2.gz KKGJMWQWEGPEEO-CQSZACIVSA-N 1 0 328.478 2.484 50 0 EEAARO COc1ccc(OCCC[NH3+])c(C(=O)NC2Cc3ccccc3C2)c1 ZINC000299785008 258092341 /nfs/dbraw/zinc/09/23/41/258092341.db2.gz RCIXHWBGUAVLCX-UHFFFAOYSA-N 1 0 340.423 2.320 50 0 EEAARO O=C1C[C@H](C[NH+]2CCN(c3cccnc3)CC2)CN1c1ccccc1 ZINC000299762600 258079789 /nfs/dbraw/zinc/07/97/89/258079789.db2.gz OFBIFGNVXAHJGL-QGZVFWFLSA-N 1 0 336.439 2.257 50 0 EEAARO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)c1ccc(CN2CCCC2=O)cc1 ZINC000122092603 222012730 /nfs/dbraw/zinc/01/27/30/222012730.db2.gz VMOJPIRIJFQPIO-PBHICJAKSA-N 1 0 329.444 2.151 50 0 EEAARO [NH3+]CC1(NS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCCC1 ZINC000124054427 222369514 /nfs/dbraw/zinc/36/95/14/222369514.db2.gz VLBWKWGQAMZWLX-UHFFFAOYSA-N 1 0 336.379 2.396 50 0 EEAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@H](C)[NH3+])CCO2 ZINC000067856248 292623918 /nfs/dbraw/zinc/62/39/18/292623918.db2.gz ZRNRJJBJZCYOKV-ZDUSSCGKSA-N 1 0 326.396 2.436 50 0 EEAARO COc1ccc(CCNC(=O)NC[C@H](c2cccn2C)[NH+](C)C)cc1 ZINC000038489733 277886730 /nfs/dbraw/zinc/88/67/30/277886730.db2.gz FGLNQPGZAXRHBS-GOSISDBHSA-N 1 0 344.459 2.178 50 0 EEAARO C[C@H](c1ccc(-c2nc(N3CCOCC3)n(C)n2)cc1)[NH+]1CCCC1 ZINC000426387304 278305448 /nfs/dbraw/zinc/30/54/48/278305448.db2.gz QEWFSTHVICJDBR-OAHLLOKOSA-N 1 0 341.459 2.476 50 0 EEAARO Cn1nc(C(=O)N2CCCC2)c2c1CC[C@H]([NH+]1CCCCCC1)C2 ZINC000014535067 294502705 /nfs/dbraw/zinc/50/27/05/294502705.db2.gz DKQUWMGQGVJBOD-HNNXBMFYSA-N 1 0 330.476 2.389 50 0 EEAARO COC[C@H](C)[NH2+]C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000002665125 462599570 /nfs/dbraw/zinc/59/95/70/462599570.db2.gz HZQMLNNAKGWKSP-UONOGXRCSA-N 1 0 325.449 2.357 50 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WQVUTPCQFPRZNW-MRXNPFEDSA-N 1 0 336.794 2.419 50 0 EEAARO COc1cccc(C(=O)NC[C@H](c2ccc3c(c2)OCO3)[NH+](C)C)c1 ZINC000012196148 462847645 /nfs/dbraw/zinc/84/76/45/462847645.db2.gz UOLQTBUTEVFLEY-MRXNPFEDSA-N 1 0 342.395 2.457 50 0 EEAARO C[N@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)CCCn2cncn2)C1 ZINC000012440211 462852468 /nfs/dbraw/zinc/85/24/68/462852468.db2.gz ONDKUQHXQJRTDM-GOSISDBHSA-N 1 0 341.459 2.181 50 0 EEAARO O=C1CC[C@@]2(CCOC2)CN1C1CC[NH+](Cc2cccnc2)CC1 ZINC000091305716 462871899 /nfs/dbraw/zinc/87/18/99/462871899.db2.gz SXJMPKADPLKSQM-LJQANCHMSA-N 1 0 329.444 2.075 50 0 EEAARO C[NH+](C)[C@H](CNC(=O)CSc1nncn1C1CC1)c1ccccc1 ZINC000012882418 462873345 /nfs/dbraw/zinc/87/33/45/462873345.db2.gz AJIQAEJJVDQBDB-OAHLLOKOSA-N 1 0 345.472 2.124 50 0 EEAARO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@H+]2CCCCCCO)C1 ZINC000091563176 462887635 /nfs/dbraw/zinc/88/76/35/462887635.db2.gz ZAFLRWMTZGEZFR-IAGOWNOFSA-N 1 0 331.460 2.171 50 0 EEAARO C[C@@H](Oc1ccc2ccccc2c1)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000091587391 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Cc1cc(C(=O)NC[C@H]2CCC[N@H+](Cc3ccccc3F)C2)[nH]n1 ZINC000067851263 463057117 /nfs/dbraw/zinc/05/71/17/463057117.db2.gz FUMZSZVCXCVZQK-CQSZACIVSA-N 1 0 330.407 2.499 50 0 EEAARO CC(=O)N[C@@H]1Cc2ccccc2[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC000095365270 463069971 /nfs/dbraw/zinc/06/99/71/463069971.db2.gz VJCAYBLPCVVFTG-UYAOXDASSA-N 1 0 343.471 2.171 50 0 EEAARO Cc1cc(C)nc(CCNC(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)n1 ZINC000095364338 463070200 /nfs/dbraw/zinc/07/02/00/463070200.db2.gz BDGXKOMYPHZQLV-INIZCTEOSA-N 1 0 342.443 2.257 50 0 EEAARO CN(C)[C@@H](C(=O)N1CCN(c2cc[nH+]cc2)CC1)c1ccccc1F ZINC000095378872 463071616 /nfs/dbraw/zinc/07/16/16/463071616.db2.gz JITNCRVISINMIR-GOSISDBHSA-N 1 0 342.418 2.172 50 0 EEAARO O=C1N[C@](Cc2ccccc2F)(C2CC[NH2+]CC2)C(=O)N1CC1CC1 ZINC000067948061 463071675 /nfs/dbraw/zinc/07/16/75/463071675.db2.gz VAKNEVFKTNRGMT-LJQANCHMSA-N 1 0 345.418 2.068 50 0 EEAARO Cc1[nH]ccc1C(=O)N1CCC[C@@H](c2nccn2CCC[NH+](C)C)C1 ZINC000095391874 463073295 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PTZNRZZLLRHTQL-FQEVSTJZSA-N 1 0 343.471 2.271 50 0 EEAARO Cc1ccc(C(=O)N2CC(c3cccnc3)C2)cc1OCCC[NH3+] ZINC000299787952 258094305 /nfs/dbraw/zinc/09/43/05/258094305.db2.gz UDRMAZGRBULUIA-UHFFFAOYSA-N 1 0 325.412 2.357 50 0 EEAARO O=C(NCCc1noc(C2CC2)n1)c1ccc(C[NH+]2CCCC2)o1 ZINC000299787888 258094451 /nfs/dbraw/zinc/09/44/51/258094451.db2.gz SVLJPESVPFMIRN-UHFFFAOYSA-N 1 0 330.388 2.108 50 0 EEAARO C[N@@H+]1CCOC[C@@H](CNC(=O)Nc2ccccc2C(F)(F)F)C1 ZINC000299802289 258105683 /nfs/dbraw/zinc/10/56/83/258105683.db2.gz ZSKRWHZQYKAJGP-NSHDSACASA-N 1 0 331.338 2.405 50 0 EEAARO Cc1ccc(C(=O)N2CCC([N@@H+]3CCC[C@@H](O)C3)CC2)n1C(F)F ZINC000299755707 258074485 /nfs/dbraw/zinc/07/44/85/258074485.db2.gz BWSFDYQQGPCMGU-CQSZACIVSA-N 1 0 341.402 2.253 50 0 EEAARO Cc1ccc(C(=O)N2CC[C@@H](O)CC(C)(C)C2)cc1OCCC[NH3+] ZINC000299756979 258075137 /nfs/dbraw/zinc/07/51/37/258075137.db2.gz FQBCFVZAHPLVEO-MRXNPFEDSA-N 1 0 334.460 2.346 50 0 EEAARO Cc1[nH]c2c(cccc2C(=O)NCC[N@@H+]2CCC[C@H](CO)C2)c1C ZINC000096164376 533613475 /nfs/dbraw/zinc/61/34/75/533613475.db2.gz JBMATJZBLUKZRM-HNNXBMFYSA-N 1 0 329.444 2.219 50 0 EEAARO CCc1noc(C)c1NC(=O)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000120856067 292258609 /nfs/dbraw/zinc/25/86/09/292258609.db2.gz OZRSKOLXXPNYIJ-INIZCTEOSA-N 1 0 329.400 2.385 50 0 EEAARO Cc1nnc(SCC(=O)N2CCC[C@H]2C[NH+]2CCCC2)s1 ZINC000063857178 302821200 /nfs/dbraw/zinc/82/12/00/302821200.db2.gz QGALKGLPFHMJCO-LBPRGKRZSA-N 1 0 326.491 2.025 50 0 EEAARO Cn1ccc(NC(=S)NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000002786390 462602907 /nfs/dbraw/zinc/60/29/07/462602907.db2.gz LQJKAJDLPHHLFH-UHFFFAOYSA-N 1 0 329.473 2.371 50 0 EEAARO NC(=[NH2+])SCCS(=O)(=O)Oc1ccc(Cl)cc1Cl ZINC000005170578 462648247 /nfs/dbraw/zinc/64/82/47/462648247.db2.gz NNVGVFSQSHQQME-UHFFFAOYSA-N 1 0 329.230 2.329 50 0 EEAARO CCCC[NH+](CCCC)CCNC(=O)CNC(=O)c1cccs1 ZINC000004686485 462635129 /nfs/dbraw/zinc/63/51/29/462635129.db2.gz JVAVLEGVDDSMOE-UHFFFAOYSA-N 1 0 339.505 2.496 50 0 EEAARO COc1c(Cl)cc(Cl)cc1C[NH2+]CCSc1nnnn1C ZINC000004998065 462643017 /nfs/dbraw/zinc/64/30/17/462643017.db2.gz ONINPAYUJYXDCL-UHFFFAOYSA-N 1 0 348.259 2.407 50 0 EEAARO Nc1cc(N)[nH+]c(SCC(=O)c2ccc(Br)s2)n1 ZINC000006533384 462689036 /nfs/dbraw/zinc/68/90/36/462689036.db2.gz KOIYUNOPMMHCLJ-UHFFFAOYSA-N 1 0 345.247 2.440 50 0 EEAARO CC1CC[NH+](CC(=O)N(C)CC(=O)Nc2ccccc2Cl)CC1 ZINC000007446753 462735745 /nfs/dbraw/zinc/73/57/45/462735745.db2.gz KDTDCUUWHYIMOF-UHFFFAOYSA-N 1 0 337.851 2.469 50 0 EEAARO COCC[N@@H+]1CC[C@@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 ZINC000065375478 462759530 /nfs/dbraw/zinc/75/95/30/462759530.db2.gz PEXYYQWQDAXIFV-GOSISDBHSA-N 1 0 342.483 2.461 50 0 EEAARO O=C(NCC(F)F)C1(Oc2ccc3ncccc3c2)CC[NH2+]CC1 ZINC000065410280 462767119 /nfs/dbraw/zinc/76/71/19/462767119.db2.gz HUYZRWNGYCJJNS-UHFFFAOYSA-N 1 0 335.354 2.117 50 0 EEAARO C[NH+](C)Cc1ccccc1CNC(=O)c1cnn(-c2ccccc2)n1 ZINC000009917283 462809272 /nfs/dbraw/zinc/80/92/72/462809272.db2.gz ZQPAWDLYPMWJGY-UHFFFAOYSA-N 1 0 335.411 2.259 50 0 EEAARO COC(=O)CCC(=O)N(C)[C@H]1CCC[N@H+](CCc2ccccc2)C1 ZINC000011843344 462839865 /nfs/dbraw/zinc/83/98/65/462839865.db2.gz SEDLOLURFYDXQZ-KRWDZBQOSA-N 1 0 332.444 2.105 50 0 EEAARO CCn1cncc1C[N@@H+]1CC[C@@H](C2CCN(c3ncccn3)CC2)C1 ZINC000011818963 462840008 /nfs/dbraw/zinc/84/00/08/462840008.db2.gz USJGMCAYXMDPMD-QGZVFWFLSA-N 1 0 340.475 2.432 50 0 EEAARO COCCN1CCC[C@]2(CC[N@H+](Cc3cc(F)ccc3F)C2)C1=O ZINC000012050410 462841720 /nfs/dbraw/zinc/84/17/20/462841720.db2.gz PCONQVPDZGWBRK-GOSISDBHSA-N 1 0 338.398 2.426 50 0 EEAARO Cc1ccn(CC(=O)N2CC[C@H](C3CC[NH+](CC(C)C)CC3)C2)n1 ZINC000012227464 462848403 /nfs/dbraw/zinc/84/84/03/462848403.db2.gz AKFFNBZNQAYYIB-SFHVURJKSA-N 1 0 332.492 2.408 50 0 EEAARO O=C1N(Cc2cccnc2)CCC[C@]12CC[N@H+](Cc1ccccn1)C2 ZINC000012449291 462853174 /nfs/dbraw/zinc/85/31/74/462853174.db2.gz ADCIAVZGXOQWCC-HXUWFJFHSA-N 1 0 336.439 2.491 50 0 EEAARO C[NH+](C)[C@@H]1CCN(C(=O)c2cn(Cc3cccc4ccccc43)nn2)C1 ZINC000012756113 462865880 /nfs/dbraw/zinc/86/58/80/462865880.db2.gz MXPUOFRJBKJARL-QGZVFWFLSA-N 1 0 349.438 2.256 50 0 EEAARO CC[N@@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)CCO)CC2)C1 ZINC000091365053 462875286 /nfs/dbraw/zinc/87/52/86/462875286.db2.gz KNJNKWAFZOYINV-SFHVURJKSA-N 1 0 330.472 2.487 50 0 EEAARO COc1ccnc(N2CC[NH+](Cc3cccc4cccnc43)CC2)n1 ZINC000012980234 462879397 /nfs/dbraw/zinc/87/93/97/462879397.db2.gz RKHAXLNZPZWXTA-UHFFFAOYSA-N 1 0 335.411 2.356 50 0 EEAARO O=C1CCC2(CC[NH+](C[C@@H]3CCOC3)CC2)CN1Cc1cccnc1 ZINC000091486820 462885482 /nfs/dbraw/zinc/88/54/82/462885482.db2.gz KQGQCUJJDCREDK-SFHVURJKSA-N 1 0 343.471 2.323 50 0 EEAARO Cc1nc(C(=O)N[C@H]2C[N@H+](C3CCOCC3)C[C@@H]2C(C)C)cs1 ZINC000091621342 462892890 /nfs/dbraw/zinc/89/28/90/462892890.db2.gz YPVMRXKQDDWRAS-CABCVRRESA-N 1 0 337.489 2.317 50 0 EEAARO CCCCc1c(C)[nH+]c(N)nc1N1CCN(Cc2cccnc2)CC1 ZINC000091847405 462910723 /nfs/dbraw/zinc/91/07/23/462910723.db2.gz KISPBERBUAMSSQ-UHFFFAOYSA-N 1 0 340.475 2.427 50 0 EEAARO CC(C)C[N@@H+]1CCO[C@@H](CNC(=O)COc2ccc(Cl)cc2)C1 ZINC000014135448 462912451 /nfs/dbraw/zinc/91/24/51/462912451.db2.gz RRAAZIWIYLVCFU-INIZCTEOSA-N 1 0 340.851 2.192 50 0 EEAARO C[N@@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)COc1ccc(F)c(Cl)c1)C2 ZINC000091973999 462916698 /nfs/dbraw/zinc/91/66/98/462916698.db2.gz PFPSHGYLFSRXOQ-NWDGAFQWSA-N 1 0 326.799 2.411 50 0 EEAARO Cc1noc(C)c1CCC(=O)Nc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000014900474 462933731 /nfs/dbraw/zinc/93/37/31/462933731.db2.gz WRPRGDGNIKZOBJ-UHFFFAOYSA-N 1 0 343.431 2.010 50 0 EEAARO CC(C)[N@H+](C)C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000014968782 462936344 /nfs/dbraw/zinc/93/63/44/462936344.db2.gz JURZXQVEDAXKTD-KRWDZBQOSA-N 1 0 326.387 2.159 50 0 EEAARO Cc1cccnc1N1CC[NH+](C2CCN(C(=O)C(C)C)CC2)CC1 ZINC000067539878 463016762 /nfs/dbraw/zinc/01/67/62/463016762.db2.gz CBLXXZLLXSVEMC-UHFFFAOYSA-N 1 0 330.476 2.159 50 0 EEAARO CC(=O)NCC[C@H]1C[N@@H+](C2CCN(c3ccc(C)cc3)CC2)CCO1 ZINC000067908791 463066114 /nfs/dbraw/zinc/06/61/14/463066114.db2.gz FAOZUTCOXKMCDD-FQEVSTJZSA-N 1 0 345.487 2.191 50 0 EEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1ccccc1OC)C2 ZINC000095357842 463068155 /nfs/dbraw/zinc/06/81/55/463068155.db2.gz BPTHAMDBCHQSGJ-SJLPKXTDSA-N 1 0 346.471 2.197 50 0 EEAARO Cc1ccc(C(=O)N2CCC[C@H](c3nccn3CC[NH+](C)C)C2)cn1 ZINC000095388897 463073271 /nfs/dbraw/zinc/07/32/71/463073271.db2.gz YHCLXKMVMJMXAS-KRWDZBQOSA-N 1 0 341.459 2.168 50 0 EEAARO C[C@H](O)C[NH+]1CCC(n2nccc2NC(=O)c2cccc(F)c2)CC1 ZINC000067981619 463076639 /nfs/dbraw/zinc/07/66/39/463076639.db2.gz DEDQNOXDEYEHDF-ZDUSSCGKSA-N 1 0 346.406 2.292 50 0 EEAARO O=C([C@H]1CCC[N@H+](Cc2ccco2)C1)N1CCC2(COC(=O)O2)CC1 ZINC000095510929 463099167 /nfs/dbraw/zinc/09/91/67/463099167.db2.gz DVJIPNJHJLYYCG-AWEZNQCLSA-N 1 0 348.399 2.020 50 0 EEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2ccccn2)n[nH]1 ZINC000096115509 463180252 /nfs/dbraw/zinc/18/02/52/463180252.db2.gz YZLAPTFMZIWLPD-KBXCAEBGSA-N 1 0 339.443 2.466 50 0 biogenic EEAARO C[NH+](C)CC(C)(C)C[N@@H+]1C[C@@H]2c3ccccc3OC[C@]2(C(=O)[O-])C1 ZINC000096154021 463187241 /nfs/dbraw/zinc/18/72/41/463187241.db2.gz RUZZDDAOIDVTTK-DNVCBOLYSA-N 1 0 332.444 2.137 50 0 EEAARO Cc1ccc(CN(CC[NH+](C)C)C(=O)COc2cccnc2)s1 ZINC000055271627 463303097 /nfs/dbraw/zinc/30/30/97/463303097.db2.gz RORPEFHQQZEIBE-UHFFFAOYSA-N 1 0 333.457 2.421 50 0 EEAARO O=C(c1cn(C[C@H]2CCC[NH2+]C2)nn1)N1CCC[C@H]1c1ccccc1 ZINC000097532203 463359074 /nfs/dbraw/zinc/35/90/74/463359074.db2.gz PUGYIGSIGAHRCC-YJBOKZPZSA-N 1 0 339.443 2.255 50 0 EEAARO OCC[C@@H]1CCCC[N@@H+]1C[C@H](O)COCc1ccc(Cl)cc1 ZINC000102123356 463384432 /nfs/dbraw/zinc/38/44/32/463384432.db2.gz QCVROBCHMWQFFE-IRXDYDNUSA-N 1 0 327.852 2.454 50 0 EEAARO O[C@@H]1C[N@H+](Cc2cccc(-c3ccco3)c2)CC[C@H]1N1CCOCC1 ZINC000039550783 463451779 /nfs/dbraw/zinc/45/17/79/463451779.db2.gz ZLGXWZONGGXULZ-RTBURBONSA-N 1 0 342.439 2.214 50 0 EEAARO CC(C)C[N@@H+]1CCn2nc(CNc3ncnc4[nH]ccc43)cc2C1 ZINC000082114376 463515257 /nfs/dbraw/zinc/51/52/57/463515257.db2.gz CBPMJGIPAJIQDY-UHFFFAOYSA-N 1 0 325.420 2.238 50 0 EEAARO C[NH+](C)C1(CNC(=O)c2cc(-c3ccccc3)on2)CCOCC1 ZINC000082161058 463520166 /nfs/dbraw/zinc/52/01/66/463520166.db2.gz DYFCSKXEIXUGSD-UHFFFAOYSA-N 1 0 329.400 2.182 50 0 EEAARO Cn1ccc(C[NH2+]Cc2ccc(CN3C(=O)NC(C)(C)C3=O)cc2)c1 ZINC000125475242 463549120 /nfs/dbraw/zinc/54/91/20/463549120.db2.gz BTOQBIHIDKEWCU-UHFFFAOYSA-N 1 0 340.427 2.145 50 0 EEAARO COc1ccc2[nH]c(CN3CCOC[C@H](C[NH+](C)C)C3)c(C)c2c1 ZINC000216199438 464107159 /nfs/dbraw/zinc/10/71/59/464107159.db2.gz SUQVCPJFDFDVEH-OAHLLOKOSA-N 1 0 331.460 2.495 50 0 EEAARO CSc1ncccc1C(=O)NC1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000223335868 464141115 /nfs/dbraw/zinc/14/11/15/464141115.db2.gz LWNBGRIWKQMXLZ-AWEZNQCLSA-N 1 0 335.473 2.177 50 0 EEAARO O=C(NCC1(c2ccccc2)CCOCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000238008478 464418167 /nfs/dbraw/zinc/41/81/67/464418167.db2.gz LTTDMGQFIWLMDZ-QGZVFWFLSA-N 1 0 328.456 2.241 50 0 EEAARO COc1ccc(OCC[NH+]2CCC([C@@H](O)c3nccn3C)CC2)cc1 ZINC000244842375 464462834 /nfs/dbraw/zinc/46/28/34/464462834.db2.gz 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C[NH+](C)[C@H](CNC(=O)c1ccc(-n2cncn2)cc1)c1ccsc1 ZINC000025330659 202129331 /nfs/dbraw/zinc/12/93/31/202129331.db2.gz KHCGBFLLGDAQLS-MRXNPFEDSA-N 1 0 341.440 2.362 50 0 EEAARO CCNc1cc(NCCNC(=O)c2ccccc2OC)nc(C)[nH+]1 ZINC000038488301 202136963 /nfs/dbraw/zinc/13/69/63/202136963.db2.gz BWXTXFIKWHVLKW-UHFFFAOYSA-N 1 0 329.404 2.067 50 0 EEAARO O=C(/C=C/c1cccnc1)NCC1([NH+]2CCOCC2)CCCCC1 ZINC000032195638 202222718 /nfs/dbraw/zinc/22/27/18/202222718.db2.gz PHWQLHUTYQIHCH-VOTSOKGWSA-N 1 0 329.444 2.246 50 0 EEAARO CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccccc3F)C2)CC1 ZINC000035686502 202308010 /nfs/dbraw/zinc/30/80/10/202308010.db2.gz VRHZGKUUZHUBBU-CQSZACIVSA-N 1 0 347.434 2.121 50 0 EEAARO CN(Cc1nc(-c2cnccn2)no1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000036385609 202324133 /nfs/dbraw/zinc/32/41/33/202324133.db2.gz VCTBUGINHKLGSD-UHFFFAOYSA-N 1 0 330.436 2.268 50 0 EEAARO CCOC(=O)c1c(C)n(C[C@@H](O)C[NH2+]C(C)C)c2ccc(OC)cc21 ZINC000015724483 201368002 /nfs/dbraw/zinc/36/80/02/201368002.db2.gz 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COCC[N@@H+]1CC[C@@H](CNc2cc(C(=O)N3CCCCC3)ccn2)C1 ZINC001529103394 1121316728 /nfs/dbraw/zinc/31/67/28/1121316728.db2.gz AQLHWQMLWJVKHS-INIZCTEOSA-N 1 0 346.475 2.088 50 0 EEAARO O=C(c1ccc[nH]c1=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000023702856 202107712 /nfs/dbraw/zinc/10/77/12/202107712.db2.gz ZVDKEYCWIPQQJQ-UHFFFAOYSA-N 1 0 347.418 2.486 50 0 EEAARO CC[C@@H](CO)[NH2+]Cc1ccc(Oc2nnnn2-c2ccccc2)cc1 ZINC000032616948 202229375 /nfs/dbraw/zinc/22/93/75/202229375.db2.gz SLZXBLGDWCZQGD-HNNXBMFYSA-N 1 0 339.399 2.315 50 0 EEAARO Cc1nc(N2CCN(C(=O)C(C)(C)C)CC2)cc(N2CCCCC2)[nH+]1 ZINC000033318268 202257155 /nfs/dbraw/zinc/25/71/55/202257155.db2.gz PRQMHAOPIAANIR-UHFFFAOYSA-N 1 0 345.491 2.470 50 0 EEAARO Cn1c2nnc(SCC[NH+]3CCCCC3)n2c2ccccc2c1=O ZINC000036612158 202325956 /nfs/dbraw/zinc/32/59/56/202325956.db2.gz JJDGDNYIAYSVQN-UHFFFAOYSA-N 1 0 343.456 2.159 50 0 EEAARO COC(=O)CC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N1CCOCC1 ZINC000242620150 201153050 /nfs/dbraw/zinc/15/30/50/201153050.db2.gz PVAKTNBEGPNQNZ-RBUKOAKNSA-N 1 0 346.471 2.163 50 0 EEAARO O[C@H](COCc1ccccc1F)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000065467298 201153398 /nfs/dbraw/zinc/15/33/98/201153398.db2.gz KTZDPJFJNHXWMH-KRWDZBQOSA-N 1 0 333.407 2.306 50 0 EEAARO C[C@@H](C(=O)NCCc1ccc(F)cc1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270606 201173522 /nfs/dbraw/zinc/17/35/22/201173522.db2.gz KZNKCRYYUDNFCK-HOCLYGCPSA-N 1 0 344.434 2.476 50 0 EEAARO C[NH+]1CCN([C@@H](CNC(=O)c2ccccc2)c2ccsc2)CC1 ZINC000022765641 212321808 /nfs/dbraw/zinc/32/18/08/212321808.db2.gz BAFUSQYXIIMIQY-KRWDZBQOSA-N 1 0 329.469 2.467 50 0 EEAARO C[NH+](C)[C@H]1CN(Cc2ccccc2OCc2ccccc2)C[C@@H]1O ZINC000215336450 241119979 /nfs/dbraw/zinc/11/99/79/241119979.db2.gz KIOBUYIKPAMIKT-OALUTQOASA-N 1 0 326.440 2.372 50 0 EEAARO Cc1ncnc(N2CCN(CC(C)(C)C[NH+]3CCCC3)CC2)c1C ZINC000214991473 241100722 /nfs/dbraw/zinc/10/07/22/241100722.db2.gz DQBXLIHXHQQJNE-UHFFFAOYSA-N 1 0 331.508 2.337 50 0 EEAARO COc1c(F)ccc(CN2CC[NH+](C3CCOCC3)CC2)c1F ZINC000216073406 241162543 /nfs/dbraw/zinc/16/25/43/241162543.db2.gz IBDDDIRCHGCSFW-UHFFFAOYSA-N 1 0 326.387 2.270 50 0 EEAARO OCCCN1CCN(Cc2cc(C[NH+]3CCCCC3)cs2)CC1 ZINC000216322544 241184613 /nfs/dbraw/zinc/18/46/13/241184613.db2.gz KEWTZBFBTHNXTA-UHFFFAOYSA-N 1 0 337.533 2.234 50 0 EEAARO CCN(CCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]C2)c1cccc(C)c1 ZINC000426370389 241266904 /nfs/dbraw/zinc/26/69/04/241266904.db2.gz HDNJEOFXIATWFQ-IRXDYDNUSA-N 1 0 330.476 2.215 50 0 EEAARO O=C(NCC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)N(CCO)Cc1ccco1 ZINC000426689280 241327394 /nfs/dbraw/zinc/32/73/94/241327394.db2.gz POZRAOOAAONTRX-FUHWJXTLSA-N 1 0 349.475 2.438 50 0 EEAARO C[NH+]1CCC(CNC(=O)N2CCCC[C@H]2CO)(c2ccccc2)CC1 ZINC000426490362 241296411 /nfs/dbraw/zinc/29/64/11/241296411.db2.gz TWMCNLPEKHRVSI-SFHVURJKSA-N 1 0 345.487 2.206 50 0 EEAARO O=C(NCC[NH+]1CCCCC1)N(CCO)Cc1ccccc1Cl ZINC000426497507 241299862 /nfs/dbraw/zinc/29/98/62/241299862.db2.gz XAQYVZGNPCFXKF-UHFFFAOYSA-N 1 0 339.867 2.330 50 0 EEAARO Cc1nc2ccc(C(=O)N[C@H]3COC[C@@H]3[NH+]3CCCC3)cc2s1 ZINC000426525867 241303843 /nfs/dbraw/zinc/30/38/43/241303843.db2.gz IPUKMSZFLQCCSU-GJZGRUSLSA-N 1 0 331.441 2.198 50 0 EEAARO C[N@@H+]1CCN2CCN(C(=O)c3cccc(-c4ccccc4)c3)C[C@H]2C1 ZINC000244626755 243048225 /nfs/dbraw/zinc/04/82/25/243048225.db2.gz FSFHNNARORLCBK-HXUWFJFHSA-N 1 0 335.451 2.425 50 0 EEAARO COC(=O)[C@@H]1C[C@@H]([NH+](C)C)CN1Cc1c(Cl)ccc(OC)c1F ZINC000065528303 202859008 /nfs/dbraw/zinc/85/90/08/202859008.db2.gz GWKAPWYOYCWBNA-MFKMUULPSA-N 1 0 344.814 2.165 50 0 EEAARO CC(C)NC(=O)[C@@H]1C[C@@H](n2cc(-c3cccc(Cl)c3)nn2)C[NH2+]1 ZINC000067458732 202914597 /nfs/dbraw/zinc/91/45/97/202914597.db2.gz ATBOUANDLMEKHC-KGLIPLIRSA-N 1 0 333.823 2.026 50 0 EEAARO COc1cccc([C@@H]2CN(c3noc(C)n3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072144060 203169326 /nfs/dbraw/zinc/16/93/26/203169326.db2.gz TXFCQOYNKPVLFC-RCCFBDPRSA-N 1 0 340.427 2.453 50 0 EEAARO CCOC(=O)N1CCC(NC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)CC1 ZINC000072149009 203171408 /nfs/dbraw/zinc/17/14/08/203171408.db2.gz ABBXOUKGYLHBGY-CQSZACIVSA-N 1 0 345.443 2.114 50 0 EEAARO CC(C)[C@H]1CN(C(=O)CCC(N)=O)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000072150744 203172685 /nfs/dbraw/zinc/17/26/85/203172685.db2.gz GRUYYHXFLJBYSE-QGZVFWFLSA-N 1 0 349.450 2.150 50 0 EEAARO CC(C)[C@@H]1CN(C(=O)c2cnn3ccn(C)c23)CCC[N@@H+]1CC1CC1 ZINC000072153016 203173176 /nfs/dbraw/zinc/17/31/76/203173176.db2.gz IUGWDGMRSRXFRU-KRWDZBQOSA-N 1 0 343.475 2.255 50 0 EEAARO COc1ccc([C@@H]2CN(C(=O)N(C)C)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072162985 203178149 /nfs/dbraw/zinc/17/81/49/203178149.db2.gz ZAENNQQZXKSCHU-RCCFBDPRSA-N 1 0 329.444 2.239 50 0 EEAARO Cc1cc(Cl)n(-c2ccc(NC(=O)C[C@@H]3COCC[NH2+]3)cc2)n1 ZINC000072174531 203182645 /nfs/dbraw/zinc/18/26/45/203182645.db2.gz PRJBHLSPYLIWRM-CYBMUJFWSA-N 1 0 334.807 2.151 50 0 EEAARO O=C(NCCCn1ccnc1)C1CC[NH+](Cc2ccccc2F)CC1 ZINC000020169562 212108569 /nfs/dbraw/zinc/10/85/69/212108569.db2.gz INADCRFZMVRYQC-UHFFFAOYSA-N 1 0 344.434 2.441 50 0 EEAARO Cc1nc2c(c(N(C)Cc3noc(C4CCCC4)n3)n1)CC[NH2+]CC2 ZINC000072458176 203228077 /nfs/dbraw/zinc/22/80/77/203228077.db2.gz KIPRGYAFMNZKSN-UHFFFAOYSA-N 1 0 342.447 2.150 50 0 EEAARO C[C@H](Nc1nc(N)nc2c1CC[NH2+]CC2)c1ccccc1-n1cccn1 ZINC000072462786 203228287 /nfs/dbraw/zinc/22/82/87/203228287.db2.gz ZAEMEQCLUIHNGA-ZDUSSCGKSA-N 1 0 349.442 2.106 50 0 EEAARO COC(=O)c1ccc(C[N@@H+]2CCC[C@@H](C(=O)c3nccn3C)C2)cc1 ZINC000077284666 203376604 /nfs/dbraw/zinc/37/66/04/203376604.db2.gz KFMINWHGOIRPGN-MRXNPFEDSA-N 1 0 341.411 2.302 50 0 EEAARO O[C@]1(C[NH+]2CCCCC2)CCN(Cc2ccc(-n3ccnc3)cc2)C1 ZINC000077379913 203385278 /nfs/dbraw/zinc/38/52/78/203385278.db2.gz OLBYPYCLRLYWOK-FQEVSTJZSA-N 1 0 340.471 2.295 50 0 EEAARO Cc1cc(N2CCCO[C@@H](C[NH+]3CCCCC3)C2)n2nccc2n1 ZINC000077385167 203385378 /nfs/dbraw/zinc/38/53/78/203385378.db2.gz SQTLAAGIUIVNBN-INIZCTEOSA-N 1 0 329.448 2.119 50 0 EEAARO C1=CC[NH+]([C@@H]2CCN(c3cc(-c4ccccc4)nc4ncnn43)C2)C1 ZINC000101341817 204005447 /nfs/dbraw/zinc/00/54/47/204005447.db2.gz ZSEBVGBJLQDQNW-MRXNPFEDSA-N 1 0 332.411 2.242 50 0 EEAARO c1ccc(-n2nnnc2CCC[N@@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000106108303 204185662 /nfs/dbraw/zinc/18/56/62/204185662.db2.gz ZFCHGPLGXVHRDP-IAGOWNOFSA-N 1 0 327.432 2.238 50 0 EEAARO O=C(c1ccc2ncsc2c1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077406001 284695055 /nfs/dbraw/zinc/69/50/55/284695055.db2.gz FNCBLPRPCRREOO-GOSISDBHSA-N 1 0 345.468 2.359 50 0 EEAARO Cc1ccc(C)c(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c1 ZINC000122334497 222063906 /nfs/dbraw/zinc/06/39/06/222063906.db2.gz MDMIVNCEMTXOOX-WBVHZDCISA-N 1 0 329.444 2.185 50 0 EEAARO O=C(N[C@H]1[C@H]2CCO[C@H]2[C@@H]1[NH+]1CCCC1)c1ccc2c(c1)CCC2 ZINC000220631739 274995840 /nfs/dbraw/zinc/99/58/40/274995840.db2.gz QPKXEIADQZTKBE-FCGDIQPGSA-N 1 0 326.440 2.157 50 0 EEAARO CC12CN3CC(C)(CN(C1)C31CC[NH+](Cc3ccccc3)CC1)C2=O ZINC000019327874 276173430 /nfs/dbraw/zinc/17/34/30/276173430.db2.gz PMJGSYLWLYABGD-UHFFFAOYSA-N 1 0 339.483 2.205 50 0 biogenic EEAARO Cn1nc(-c2cccnc2)c2c1NC(=O)C[C@@H]2[C@H]1CC[C@@H]([NH3+])CC1 ZINC000244795812 303040202 /nfs/dbraw/zinc/04/02/02/303040202.db2.gz RODCRIBXKODGJX-KWCYVHTRSA-N 1 0 325.416 2.425 50 0 EEAARO C[NH+]1CCN(c2ccc(NS(=O)(=O)c3ccccc3)cc2)CC1 ZINC000000128577 462542831 /nfs/dbraw/zinc/54/28/31/462542831.db2.gz DTVJPUVVVYCWER-UHFFFAOYSA-N 1 0 331.441 2.239 50 0 EEAARO CCOC(=O)[C@H]1CCC[N@H+](CCC(=O)Nc2ccc3c(c2)OCO3)C1 ZINC000000176219 462545882 /nfs/dbraw/zinc/54/58/82/462545882.db2.gz CFPGBWPMBGCJOM-ZDUSSCGKSA-N 1 0 348.399 2.019 50 0 EEAARO C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)NC(=O)CS2 ZINC000000217641 462548550 /nfs/dbraw/zinc/54/85/50/462548550.db2.gz KIEMPLWHRCCNHQ-GFCCVEGCSA-N 1 0 333.457 2.335 50 0 EEAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2cccc(OC)c2)CC1 ZINC000000256947 462551448 /nfs/dbraw/zinc/55/14/48/462551448.db2.gz XGDUNUXDRQBJIJ-UHFFFAOYSA-N 1 0 334.416 2.299 50 0 EEAARO COC[C@@H](C)[NH2+]C[C@@H](O)COc1ccc(OC)cc1C(C)(C)C ZINC000002665126 462599752 /nfs/dbraw/zinc/59/97/52/462599752.db2.gz HZQMLNNAKGWKSP-ZIAGYGMSSA-N 1 0 325.449 2.357 50 0 EEAARO COC(=O)Cc1cc(=O)[nH]c(NC(=[NH2+])Nc2ccc(C(C)C)cc2)n1 ZINC000003909210 462626001 /nfs/dbraw/zinc/62/60/01/462626001.db2.gz VXXLOSYSEPGXHI-UHFFFAOYSA-N 1 0 343.387 2.068 50 0 EEAARO COc1cc(S(=O)(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1F ZINC000004318220 462630799 /nfs/dbraw/zinc/63/07/99/462630799.db2.gz MSLUVGHMJDWFCZ-UHFFFAOYSA-N 1 0 344.452 2.422 50 0 EEAARO CC[NH+]1CCN(c2ncnc3c4cc(OC)c(OC)cc4[nH]c32)CC1 ZINC000005176941 462647554 /nfs/dbraw/zinc/64/75/54/462647554.db2.gz NNFVRBKMIRXQEP-UHFFFAOYSA-N 1 0 341.415 2.270 50 0 EEAARO O=C(N[C@H]1COc2ccccc2C1)N1CC[NH+](C2CCCC2)CC1 ZINC000047089859 462741838 /nfs/dbraw/zinc/74/18/38/462741838.db2.gz UIQQEMLUINHOIK-MRXNPFEDSA-N 1 0 329.444 2.260 50 0 EEAARO O=C([C@@H]1CCC[N@H+](Cc2ccc(-n3cncn3)cc2)C1)N1CCCC1 ZINC000065384799 462761292 /nfs/dbraw/zinc/76/12/92/462761292.db2.gz MRWQZJHHVMMBLY-QGZVFWFLSA-N 1 0 339.443 2.102 50 0 EEAARO 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COc1ccc(CC(=O)NCC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000021055696 212203808 /nfs/dbraw/zinc/20/38/08/212203808.db2.gz KUSHELZJUXSXGM-GJZGRUSLSA-N 1 0 334.460 2.242 50 0 EEAARO CCN(Cc1c(F)cccc1Cl)C(=O)CN1CC[C@H]([NH+](C)C)C1 ZINC000244641254 243050998 /nfs/dbraw/zinc/05/09/98/243050998.db2.gz GMIFHPJOLUUYJW-ZDUSSCGKSA-N 1 0 341.858 2.464 50 0 EEAARO CC(C)(C[N@@H+]1CCCN(Cc2ccccc2F)CC1)N1CCOCC1 ZINC000072119543 203163306 /nfs/dbraw/zinc/16/33/06/203163306.db2.gz ZOOCXHULGDWPPB-UHFFFAOYSA-N 1 0 349.494 2.444 50 0 EEAARO [NH3+]CCCCCC(=O)N1CCC[C@H](Nc2ccc3c(c2)OCO3)C1 ZINC000072133251 203166417 /nfs/dbraw/zinc/16/64/17/203166417.db2.gz FBTFONZXJLTJNL-HNNXBMFYSA-N 1 0 333.432 2.337 50 0 EEAARO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](c2cc(=O)[nH]c(C)n2)C1 ZINC000072151384 203172493 /nfs/dbraw/zinc/17/24/93/203172493.db2.gz UDEJEIVRPHXOFU-GFCCVEGCSA-N 1 0 349.866 2.407 50 0 EEAARO COc1cccc(OCCC[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)c1 ZINC000072153222 203174753 /nfs/dbraw/zinc/17/47/53/203174753.db2.gz QXPVDMROCZAZCZ-GOSISDBHSA-N 1 0 334.416 2.381 50 0 EEAARO CCOc1ccc(C(=O)NCc2c(C)ncc3c2CC[NH2+]C3)cc1 ZINC000072468285 203229095 /nfs/dbraw/zinc/22/90/95/203229095.db2.gz ZJPLGENCTKZPIV-UHFFFAOYSA-N 1 0 325.412 2.364 50 0 EEAARO Cn1c(CN2CCCC2)nnc1[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000072410490 203217669 /nfs/dbraw/zinc/21/76/69/203217669.db2.gz VAJMGAUOCXLLNE-QGZVFWFLSA-N 1 0 340.475 2.186 50 0 EEAARO CCOCC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccn3)C2)C1 ZINC000072428909 203222621 /nfs/dbraw/zinc/22/26/21/203222621.db2.gz JGIJVPJRZBRUCV-IBGZPJMESA-N 1 0 331.460 2.323 50 0 EEAARO Cc1noc(C)c1CCNc1nc(C2CC2)nc2c1CC[NH2+]CC2 ZINC000072428513 203223110 /nfs/dbraw/zinc/22/31/10/203223110.db2.gz VQFJBEPFALYPME-UHFFFAOYSA-N 1 0 327.432 2.302 50 0 EEAARO COc1ccc(CCn2ccnc2-c2cc3n(n2)CCC[NH2+]C3)cc1 ZINC000072429336 203223287 /nfs/dbraw/zinc/22/32/87/203223287.db2.gz UIRXQHLYSIWFDM-UHFFFAOYSA-N 1 0 337.427 2.491 50 0 EEAARO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000077299631 203378323 /nfs/dbraw/zinc/37/83/23/203378323.db2.gz FECWGYYBGIIGQJ-QGZVFWFLSA-N 1 0 335.879 2.469 50 0 EEAARO O=C(c1ccnc2ccccc21)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077341801 203381363 /nfs/dbraw/zinc/38/13/63/203381363.db2.gz FHNCBTQBSXHGDW-FQEVSTJZSA-N 1 0 339.439 2.298 50 0 EEAARO COc1ccc(OC2CCN(C(=O)[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000077388281 203384439 /nfs/dbraw/zinc/38/44/39/203384439.db2.gz AHGPLYUJTGZVRX-HNNXBMFYSA-N 1 0 332.444 2.407 50 0 EEAARO O=S(=O)(c1ccc(-c2ccccc2)cc1)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000077504417 203391869 /nfs/dbraw/zinc/39/18/69/203391869.db2.gz MHFKEBXCGIESTP-FUHWJXTLSA-N 1 0 328.437 2.336 50 0 EEAARO CCOC(=O)Oc1ccc(C(=O)OCCC[NH+](C)C)cc1OC ZINC000007041370 205829484 /nfs/dbraw/zinc/82/94/84/205829484.db2.gz RUWDMFALETXULG-UHFFFAOYSA-N 1 0 325.361 2.339 50 0 EEAARO O=C(CCc1nc2cccnc2[nH]1)NC[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000101414482 206295924 /nfs/dbraw/zinc/29/59/24/206295924.db2.gz DIUWVPAWFJFQPU-GDBMZVCRSA-N 1 0 341.459 2.271 50 0 EEAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CCN(c2ccccc2)C1=O ZINC000011878278 211262577 /nfs/dbraw/zinc/26/25/77/211262577.db2.gz YEJPCQXAVRQBGL-SFHVURJKSA-N 1 0 343.471 2.374 50 0 EEAARO CN1CCN(C(=O)c2ccnc(-c3ccccc3C[NH+](C)C)c2)CC1 ZINC000097546455 219034492 /nfs/dbraw/zinc/03/44/92/219034492.db2.gz XOGNURZKSTVOLQ-UHFFFAOYSA-N 1 0 338.455 2.198 50 0 EEAARO Cc1nc2ccccn2c1CN(C)C(=O)CC[C@@H](C)[NH+]1CCOCC1 ZINC000299781785 258089961 /nfs/dbraw/zinc/08/99/61/258089961.db2.gz DWZCCDQIXPMRNM-OAHLLOKOSA-N 1 0 344.459 2.102 50 0 EEAARO CCCn1cc(NC(=O)NC[C@H](c2sccc2C)[NH+](C)C)nn1 ZINC000299801945 258105085 /nfs/dbraw/zinc/10/50/85/258105085.db2.gz ZEYLLKVITSUTMV-GFCCVEGCSA-N 1 0 336.465 2.482 50 0 EEAARO CCc1nccn1CCC(=O)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000299761520 258078709 /nfs/dbraw/zinc/07/87/09/258078709.db2.gz UFFAHGRUESDCJI-UHFFFAOYSA-N 1 0 341.459 2.011 50 0 EEAARO Cc1ccc2c(c1)c(=O)c(C(=O)N1CC[C@@]3(C1)CCC[NH2+]C3)cn2C ZINC000067540108 292370693 /nfs/dbraw/zinc/37/06/93/292370693.db2.gz UKRHPIIGWJJBLO-FQEVSTJZSA-N 1 0 339.439 2.063 50 0 EEAARO CC(C)[C@H](NC(=O)CSc1nc(N)cc(N)[nH+]1)c1ccc(F)cc1 ZINC000011770096 275704248 /nfs/dbraw/zinc/70/42/48/275704248.db2.gz XBKYDYMRTYPNKT-HNNXBMFYSA-N 1 0 349.435 2.386 50 0 EEAARO CC(=O)Nc1ccc(N2C(=O)C[C@@H]([NH+]3CCCCCC3)C2=O)cc1 ZINC000020136580 277077351 /nfs/dbraw/zinc/07/73/51/277077351.db2.gz OTBMPOGLGCUNIY-MRXNPFEDSA-N 1 0 329.400 2.153 50 0 EEAARO CC(=O)Nc1ccc2c(c1)nc(CN1CC[NH+](C)CC1)n2C(C)C ZINC000020677698 277084377 /nfs/dbraw/zinc/08/43/77/277084377.db2.gz XFGXSYAXOROEFJ-UHFFFAOYSA-N 1 0 329.448 2.323 50 0 EEAARO CN1CCN(C(=O)CSCC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000219548271 277090696 /nfs/dbraw/zinc/09/06/96/277090696.db2.gz ZIXPXKMIHNPTGF-GOSISDBHSA-N 1 0 347.528 2.331 50 0 EEAARO CN1CC[NH+](C[C@H](O)COCCC23CC4CC(CC(C4)C2)C3)CC1 ZINC000019338604 277107915 /nfs/dbraw/zinc/10/79/15/277107915.db2.gz DNEUNQHNKDREAR-NRFBVMONSA-N 1 0 336.520 2.218 50 0 EEAARO COCCN1CC2(CCC1=O)CC[NH+](CC[C@H](C)SC)CC2 ZINC000091847172 277219145 /nfs/dbraw/zinc/21/91/45/277219145.db2.gz FVLPRLSUWVOUGY-HNNXBMFYSA-N 1 0 328.522 2.479 50 0 EEAARO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000092107041 289139510 /nfs/dbraw/zinc/13/95/10/289139510.db2.gz YZNGEGHTBXDUHL-INIZCTEOSA-N 1 0 342.443 2.260 50 0 EEAARO [NH3+][C@H]1C[C@@H](c2nnc(CN3CCCC4(CCOCC4)C3)n2C2CC2)C1 ZINC000219065180 295343200 /nfs/dbraw/zinc/34/32/00/295343200.db2.gz DXJJCXNCBQWOIY-SHTZXODSSA-N 1 0 345.491 2.210 50 0 EEAARO CCc1ccc(NC(=O)C(=O)N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000122282348 323324937 /nfs/dbraw/zinc/32/49/37/323324937.db2.gz BOUOGAAGPBLTPW-PBHICJAKSA-N 1 0 347.434 2.269 50 0 EEAARO CCOC(=O)N1CC[C@@H]([NH2+]CCc2nc3ccccc3n2CC)C1 ZINC000534644850 468269224 /nfs/dbraw/zinc/26/92/24/468269224.db2.gz XZYVIAIGNREPKK-CQSZACIVSA-N 1 0 330.432 2.419 50 0 EEAARO COc1ccc(N2C(=O)C[C@H]([NH2+]CCc3ccccc3F)C2=O)cc1 ZINC000000077386 462541216 /nfs/dbraw/zinc/54/12/16/462541216.db2.gz PKAIDBDKEHDNNN-KRWDZBQOSA-N 1 0 342.370 2.299 50 0 EEAARO O=C(C[NH2+]CCO)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC000004247967 462629260 /nfs/dbraw/zinc/62/92/60/462629260.db2.gz VSOMKTUXSPCZCD-GFCCVEGCSA-N 1 0 335.454 2.069 50 0 EEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)Nc1ccccc1OC ZINC000006876736 462709091 /nfs/dbraw/zinc/70/90/91/462709091.db2.gz LJZFIXMIMUSMCI-UHFFFAOYSA-N 1 0 344.411 2.362 50 0 biogenic EEAARO CCNc1nc(N2CCN(C(=O)C3CCCCC3)CC2)cc(C)[nH+]1 ZINC000065362387 462757333 /nfs/dbraw/zinc/75/73/33/462757333.db2.gz WFRUEUBZVLNOSK-UHFFFAOYSA-N 1 0 331.464 2.446 50 0 EEAARO O=C(Nc1ccc2c(c1)OCO2)c1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000065383428 462761662 /nfs/dbraw/zinc/76/16/62/462761662.db2.gz GCJOQXHJEAYDNP-INIZCTEOSA-N 1 0 340.379 2.234 50 0 EEAARO CCCCN(Cc1cccc(OC)c1)C(=O)C[C@@H]1CN(C)CC[N@@H+]1C ZINC000065403944 462765210 /nfs/dbraw/zinc/76/52/10/462765210.db2.gz DFNZORKCQYLUGR-GOSISDBHSA-N 1 0 347.503 2.460 50 0 EEAARO COc1c2c(c(CNC(=O)CC(C)C)c3c1C[N@H+](C)CC3)OCO2 ZINC000008765351 462796672 /nfs/dbraw/zinc/79/66/72/462796672.db2.gz OMPRCRDPXCCWRY-UHFFFAOYSA-N 1 0 334.416 2.074 50 0 biogenic EEAARO CCC(CC)C(=O)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CC3)C2)CC1 ZINC000011661532 462835302 /nfs/dbraw/zinc/83/53/02/462835302.db2.gz KJVQFSQOUYJSFD-INIZCTEOSA-N 1 0 349.519 2.404 50 0 EEAARO COC(=O)[C@@H]1CCC[N@@H+]1[C@@H]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000012149711 462845221 /nfs/dbraw/zinc/84/52/21/462845221.db2.gz LGMAZJTUNOVTKR-SJORKVTESA-N 1 0 348.418 2.344 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1nc(-c2ccc3[nH]ccc3c2)no1 ZINC000012391436 462852087 /nfs/dbraw/zinc/85/20/87/462852087.db2.gz ICNSGXVLGCIEOB-AWEZNQCLSA-N 1 0 339.399 2.432 50 0 EEAARO CC(C)CC(=O)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CC3)C2)CC1 ZINC000012744929 462866370 /nfs/dbraw/zinc/86/63/70/462866370.db2.gz QYYAXNKOTJHMTF-OAHLLOKOSA-N 1 0 335.492 2.014 50 0 EEAARO OCc1cccc(C[C@H]2CC[N@H+](Cc3ccc(-c4nn[nH]n4)cc3)C2)c1 ZINC000091254626 462866493 /nfs/dbraw/zinc/86/64/93/462866493.db2.gz VBGYEASSKMMVSF-QGZVFWFLSA-N 1 0 349.438 2.424 50 0 EEAARO O=C(CC[NH+]1CCN(c2ccccn2)CC1)Nc1ccccc1F ZINC000012920658 462876351 /nfs/dbraw/zinc/87/63/51/462876351.db2.gz GKCOJADDECASFI-UHFFFAOYSA-N 1 0 328.391 2.372 50 0 EEAARO C[NH+](C)CCn1ccnc1C1CCN(C(=O)CCC(F)(F)F)CC1 ZINC000091391046 462877051 /nfs/dbraw/zinc/87/70/51/462877051.db2.gz VTLIDPKFRRYTKL-UHFFFAOYSA-N 1 0 346.397 2.493 50 0 EEAARO CSCC(=O)N[C@H]1C[N@H+](Cc2ccc3c(c2)OCO3)C[C@@H]1C1CC1 ZINC000091547499 462887588 /nfs/dbraw/zinc/88/75/88/462887588.db2.gz CWHPKAGHZYANMQ-CABCVRRESA-N 1 0 348.468 2.105 50 0 EEAARO CC/C(C)=C/CC[N@@H+]1C[C@H](NC(=O)c2cnc[nH]c2=O)[C@@H](C(C)C)C1 ZINC000091593293 462890562 /nfs/dbraw/zinc/89/05/62/462890562.db2.gz NSPRUZVRHAHMGC-CTLLAADFSA-N 1 0 346.475 2.203 50 0 EEAARO CN(C)c1ccc(-n2ccnc2-c2cn(C3CC[NH2+]CC3)nn2)cc1 ZINC000091663161 462896396 /nfs/dbraw/zinc/89/63/96/462896396.db2.gz HORYHLGKUZPRSO-UHFFFAOYSA-N 1 0 337.431 2.121 50 0 EEAARO COCCC(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)cc1)C2 ZINC000091663479 462896507 /nfs/dbraw/zinc/89/65/07/462896507.db2.gz UEKQSLNJKKKEMW-DLBZAZTESA-N 1 0 332.444 2.155 50 0 EEAARO CC[C@H](CO)[NH2+]Cc1cccc(Oc2nnnn2-c2ccccc2)c1 ZINC000013717637 462902112 /nfs/dbraw/zinc/90/21/12/462902112.db2.gz JKEKWYMGUMNUBP-OAHLLOKOSA-N 1 0 339.399 2.315 50 0 EEAARO Cc1[nH+]c(N)nc(N[C@@H](c2nnc(N)s2)c2ccccc2)c1C ZINC000091830465 462909125 /nfs/dbraw/zinc/90/91/25/462909125.db2.gz PBHUIZUXGKPQAL-LLVKDONJSA-N 1 0 327.417 2.311 50 0 EEAARO C[N@H+](CCNC(=O)N[C@@H]1COc2ccccc2C1)Cc1ccccc1 ZINC000015787258 462963079 /nfs/dbraw/zinc/96/30/79/462963079.db2.gz OKRBOKOBGSQVPZ-SFHVURJKSA-N 1 0 339.439 2.421 50 0 EEAARO COc1ccc2c(c1)C[C@@H](NC(=O)NCCC[NH+]1CCCCC1)CO2 ZINC000015820866 462964113 /nfs/dbraw/zinc/96/41/13/462964113.db2.gz JPWZSTYYVVILBK-MRXNPFEDSA-N 1 0 347.459 2.174 50 0 EEAARO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NC(=O)Nc2ccc3c(c2)OCCO3)C1 ZINC000016475086 462980938 /nfs/dbraw/zinc/98/09/38/462980938.db2.gz USHXGOQJNMCLQV-CHWSQXEVSA-N 1 0 347.415 2.084 50 0 EEAARO C=Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)c3ccncc3C)C2)cn1 ZINC000067649485 463030697 /nfs/dbraw/zinc/03/06/97/463030697.db2.gz MISAUVDQMNTEJK-MRXNPFEDSA-N 1 0 339.443 2.329 50 0 EEAARO O=C(NC[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1)c1ccc[nH]1 ZINC000067654096 463031959 /nfs/dbraw/zinc/03/19/59/463031959.db2.gz WCJIUBBYOBNYMJ-CYBMUJFWSA-N 1 0 339.399 2.250 50 0 EEAARO CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(C/C=C/c2ccccc2)C1=O ZINC000067714036 463041932 /nfs/dbraw/zinc/04/19/32/463041932.db2.gz LJPJXYDJQHAFCX-MBNRZODZSA-N 1 0 327.428 2.400 50 0 EEAARO CCC[N@@H+]1CCC[C@H](CNC(=O)c2cn(C)c3ccccc3c2=O)C1 ZINC000067773171 463049620 /nfs/dbraw/zinc/04/96/20/463049620.db2.gz SITGAXWHXNOUNX-OAHLLOKOSA-N 1 0 341.455 2.390 50 0 EEAARO Cc1ncc(C[N@@H+]2CCC[C@@H](CCNC(=O)c3cncs3)C2)[nH]1 ZINC000067804483 463053534 /nfs/dbraw/zinc/05/35/34/463053534.db2.gz OGWVIDHGGPQWCS-ZDUSSCGKSA-N 1 0 333.461 2.207 50 0 EEAARO CCNC(=O)N1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000067818835 463054571 /nfs/dbraw/zinc/05/45/71/463054571.db2.gz GGRJSMWSWIOMHB-SFHVURJKSA-N 1 0 330.476 2.044 50 0 EEAARO C=Cn1cc(C[N@H+]2CCC[C@H](CNC(=O)c3cncc(C)c3)C2)cn1 ZINC000067834219 463055959 /nfs/dbraw/zinc/05/59/59/463055959.db2.gz IJFOSMUGBBINSS-MRXNPFEDSA-N 1 0 339.443 2.329 50 0 EEAARO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccc(CO)o2)C1)NC1CCCC1 ZINC000067851060 463057424 /nfs/dbraw/zinc/05/74/24/463057424.db2.gz XKYVXZMJAYCEFA-AWEZNQCLSA-N 1 0 335.448 2.226 50 0 EEAARO Cc1cc(C)cc(NC(=O)CC(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000067847597 463057586 /nfs/dbraw/zinc/05/75/86/463057586.db2.gz GMGKCLAEJXFBCX-IBGZPJMESA-N 1 0 329.444 2.234 50 0 EEAARO Cc1ccc(C[NH2+]C[C@]2(O)CCCN(CCc3ccccc3)C2=O)o1 ZINC000067886121 463063161 /nfs/dbraw/zinc/06/31/61/463063161.db2.gz FEBWRYNYVHDDJD-HXUWFJFHSA-N 1 0 342.439 2.274 50 0 EEAARO Cc1nc(C2CCN(C(=O)CCC[NH+]3CCCCC3)CC2)cc(=O)[nH]1 ZINC000095357974 463068321 /nfs/dbraw/zinc/06/83/21/463068321.db2.gz MGFNDKBPENCLNQ-UHFFFAOYSA-N 1 0 346.475 2.050 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1Cn1ncc(N2CCc3ccccc3C2)cc1=O ZINC000095390887 463073335 /nfs/dbraw/zinc/07/33/35/463073335.db2.gz JBIMKDRBZZYRNE-GOSISDBHSA-N 1 0 338.455 2.290 50 0 EEAARO COCCC[NH+]1CCN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)CC1 ZINC000095516479 463100748 /nfs/dbraw/zinc/10/07/48/463100748.db2.gz DXZDIBUQKAFPGG-UHFFFAOYSA-N 1 0 343.431 2.263 50 0 EEAARO CC(C)[C@H](CNc1ccc2nnnn2n1)[N@@H+]1CCc2ccccc2C1 ZINC000026727871 463169945 /nfs/dbraw/zinc/16/99/45/463169945.db2.gz FOFFKEHRRSOIMD-INIZCTEOSA-N 1 0 337.431 2.014 50 0 EEAARO CNc1ncc(C(=O)NCC[N@@H+]2CCC[C@H](c3ccccc3)C2)cn1 ZINC000096164664 463193287 /nfs/dbraw/zinc/19/32/87/463193287.db2.gz KEUCYOXPIOGNJQ-INIZCTEOSA-N 1 0 339.443 2.128 50 0 EEAARO Cc1ccc([C@H](CNC(=O)/C=C/c2cnn(C)c2)[NH+]2CCCC2)o1 ZINC000069418184 463243462 /nfs/dbraw/zinc/24/34/62/463243462.db2.gz DFYPJKHRWCXKAJ-BVBGJJFLSA-N 1 0 328.416 2.288 50 0 EEAARO OC1(Cn2ccnc2)CC[NH+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000097137266 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O=c1cc(C[N@@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)[nH]c(=O)[nH]1 ZINC001529111426 1121321331 /nfs/dbraw/zinc/32/13/31/1121321331.db2.gz YBEWJCIXFFRZRE-GFCCVEGCSA-N 1 0 339.399 2.219 50 0 EEAARO COc1cccc(OCc2nc(C(=O)N[C@H]3CCC[N@H+](C)C3)co2)c1 ZINC000067727178 215197393 /nfs/dbraw/zinc/19/73/93/215197393.db2.gz OEUYOQMRQCLOQP-ZDUSSCGKSA-N 1 0 345.399 2.086 50 0 EEAARO CCNC(=O)[C@@H](C)[NH+]1CCC(n2nccc2NC(=O)CC(C)C)CC1 ZINC000067789455 215214084 /nfs/dbraw/zinc/21/40/84/215214084.db2.gz UEKUWZHIYIMIFY-CQSZACIVSA-N 1 0 349.479 2.029 50 0 EEAARO Cc1[nH]c2c(cccc2CN2C[C@H]([NH3+])C[C@H]2C(=O)NC(C)C)c1C ZINC000067804868 215216009 /nfs/dbraw/zinc/21/60/09/215216009.db2.gz MOIKBSGSWJKABR-WBVHZDCISA-N 1 0 328.460 2.211 50 0 EEAARO Cc1nc([C@H]2CCC[NH2+]C2)cc(N(C)Cc2[nH]nc3c2CCCC3)n1 ZINC000067920128 215250613 /nfs/dbraw/zinc/25/06/13/215250613.db2.gz CSXADMGTVMESEK-AWEZNQCLSA-N 1 0 340.475 2.490 50 0 EEAARO COc1ccc(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)cc1OC ZINC000072166886 216058229 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O=C(CN1CC[NH+](C2CCCC2)CC1)Nc1cccc2nsnc21 ZINC000022752216 212321439 /nfs/dbraw/zinc/32/14/39/212321439.db2.gz NUSUGSYZBVOEPS-UHFFFAOYSA-N 1 0 345.472 2.190 50 0 EEAARO Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](Cc3cccs3)C2)c(=O)n1C ZINC000215321806 241119128 /nfs/dbraw/zinc/11/91/28/241119128.db2.gz LPCXEMLXFNJWNJ-CQSZACIVSA-N 1 0 345.468 2.150 50 0 EEAARO O=C(NCCC[NH+]1CCCC1)N1CC(OCc2ccccc2F)C1 ZINC000426358307 241263078 /nfs/dbraw/zinc/26/30/78/241263078.db2.gz LVKQTBVPQSWVRU-UHFFFAOYSA-N 1 0 335.423 2.222 50 0 EEAARO C[C@@H](Cc1ccccn1)NC(=O)N1CCC([NH+]2CCSCC2)CC1 ZINC000426444430 241286893 /nfs/dbraw/zinc/28/68/93/241286893.db2.gz DWERZTICBQQFFV-HNNXBMFYSA-N 1 0 348.516 2.235 50 0 EEAARO CN(CC1(C)COC1)C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000426501686 241299836 /nfs/dbraw/zinc/29/98/36/241299836.db2.gz BHGGEHNMENYDPI-QGZVFWFLSA-N 1 0 331.460 2.186 50 0 EEAARO COc1ccc(C[N@@H+]2CCC[C@H](c3ccn(CCO)n3)C2)c(F)c1 ZINC000426728290 241332809 /nfs/dbraw/zinc/33/28/09/241332809.db2.gz OETYRIYNELUCRA-HNNXBMFYSA-N 1 0 333.407 2.403 50 0 EEAARO Cn1c(SCc2nc(-c3ccco3)no2)nnc1[C@H]1CCC[NH2+]C1 ZINC000426738989 241334227 /nfs/dbraw/zinc/33/42/27/241334227.db2.gz FBOHIMVIGLYFNO-JTQLQIEISA-N 1 0 346.416 2.217 50 0 EEAARO Nc1nc(NCCOc2ccccc2Cl)cc(C2CC([NH3+])C2)n1 ZINC000219394459 241385806 /nfs/dbraw/zinc/38/58/06/241385806.db2.gz NJORVGQPAFOXSG-UHFFFAOYSA-N 1 0 333.823 2.408 50 0 EEAARO COCc1nc(NCCNc2ncccc2C)cc([C@H]2C[C@@H]([NH3+])C2)n1 ZINC000244594230 243040902 /nfs/dbraw/zinc/04/09/02/243040902.db2.gz DITBGFARFOLXLL-OKILXGFUSA-N 1 0 342.447 2.055 50 0 EEAARO CCCn1nc(C)c(CNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)c1C ZINC000244647142 243049660 /nfs/dbraw/zinc/04/96/60/243049660.db2.gz GVSWWPGNDAALSP-BETUJISGSA-N 1 0 330.436 2.133 50 0 EEAARO CCC[NH+]1CCN(CC(=O)Nc2cc(Cl)ccc2OC)CC1 ZINC000020595138 212150039 /nfs/dbraw/zinc/15/00/39/212150039.db2.gz RKBRGQBILWYTMG-UHFFFAOYSA-N 1 0 325.840 2.315 50 0 EEAARO COCC[N@@H+]1CC[C@H](CN(C)Cc2nc(Cc3ccccc3)no2)C1 ZINC000020543200 212145441 /nfs/dbraw/zinc/14/54/41/212145441.db2.gz LEELHQICCFIXDE-QGZVFWFLSA-N 1 0 344.459 2.061 50 0 EEAARO O=C1[C@H]([N@@H+]2CCC[C@@H](O)C2)CCCN1c1ccc(OC(F)F)cc1 ZINC000110640605 220051637 /nfs/dbraw/zinc/05/16/37/220051637.db2.gz RYFHOVURKAUKCY-UKRRQHHQSA-N 1 0 340.370 2.240 50 0 EEAARO O=C1N(CC2CCCCC2)CCC[C@]1(O)C[NH2+]Cc1cccnc1 ZINC000012304145 211339011 /nfs/dbraw/zinc/33/90/11/211339011.db2.gz WBXNJOKOVPSDHL-IBGZPJMESA-N 1 0 331.460 2.105 50 0 EEAARO C[NH+]1CCN(c2ccc(Nc3nc4c(c(=O)[nH]3)CCCC4)cc2)CC1 ZINC000011903469 211264211 /nfs/dbraw/zinc/26/42/11/211264211.db2.gz FHYCOEMECYOXPJ-UHFFFAOYSA-N 1 0 339.443 2.144 50 0 EEAARO COc1ccc(CCN2C[C@H]([NH2+]Cc3cccnc3)CC2=O)cc1 ZINC000011934377 211271356 /nfs/dbraw/zinc/27/13/56/211271356.db2.gz MYBXIKUXVYFOCX-QGZVFWFLSA-N 1 0 325.412 2.023 50 0 EEAARO C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(-c3ccco3)cc2)C[C@@H]1CO ZINC000091474476 218011428 /nfs/dbraw/zinc/01/14/28/218011428.db2.gz JKBLFGDQVZNAGD-IAGOWNOFSA-N 1 0 328.412 2.189 50 0 EEAARO 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O=C(CCc1cc2n(n1)CCC[NH2+]C2)N1CCC[C@@H]1c1cccnc1 ZINC000072463818 216246649 /nfs/dbraw/zinc/24/66/49/216246649.db2.gz ZPCTUGKDXZVYQI-GOSISDBHSA-N 1 0 339.443 2.068 50 0 EEAARO Cc1cccc(=O)n1CCC(=O)N1CCC([C@H](C)[NH+]2CCCC2)CC1 ZINC000072476686 216254765 /nfs/dbraw/zinc/25/47/65/216254765.db2.gz AUERDKPNDKCKBO-KRWDZBQOSA-N 1 0 345.487 2.270 50 0 EEAARO Cc1cc(CC(=O)NCC2CC[NH+](Cc3cccs3)CC2)n[nH]1 ZINC000130177720 223129584 /nfs/dbraw/zinc/12/95/84/223129584.db2.gz YYHDPGNGBHOEKJ-UHFFFAOYSA-N 1 0 332.473 2.351 50 0 EEAARO C[NH2+]Cc1cn(C2CCN(Cc3c(F)ccc(F)c3F)CC2)nn1 ZINC000023479051 212379863 /nfs/dbraw/zinc/37/98/63/212379863.db2.gz ICOMTOXNQGGGGD-UHFFFAOYSA-N 1 0 339.365 2.252 50 0 EEAARO COCCNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)CN1C(C)C ZINC000023362790 212369987 /nfs/dbraw/zinc/36/99/87/212369987.db2.gz PEZLVLKIJJMRPT-MOPGFXCFSA-N 1 0 347.503 2.007 50 0 EEAARO CCn1c(C)cc(O)c([C@H](c2ccccc2)N2CC[NH+](C)CC2)c1=O ZINC000022696813 212317073 /nfs/dbraw/zinc/31/70/73/212317073.db2.gz 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/nfs/dbraw/zinc/15/03/08/212150308.db2.gz MYVNKMMLYXHMBY-UHFFFAOYSA-N 1 0 340.265 2.415 50 0 EEAARO O[C@@H](COc1ccccc1)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000019938357 212087831 /nfs/dbraw/zinc/08/78/31/212087831.db2.gz YNUXSJDQBVXQMD-LJQANCHMSA-N 1 0 326.440 2.244 50 0 EEAARO OCC[C@H]1CN(Cc2ccc(O)cc2)CC[N@@H+]1Cc1ccccc1 ZINC000019730855 212058532 /nfs/dbraw/zinc/05/85/32/212058532.db2.gz OWHAFIMRHKYGFM-IBGZPJMESA-N 1 0 326.440 2.461 50 0 EEAARO CC[NH+](CC)[C@@H]1CC(=O)N(c2ccc(Br)cc2)C1=O ZINC000019526310 212038435 /nfs/dbraw/zinc/03/84/35/212038435.db2.gz UIEKOKIAENKGCG-GFCCVEGCSA-N 1 0 325.206 2.423 50 0 EEAARO CC1=C(C(=O)N[C@H]2CCC[N@H+](CCc3ccccc3)C2)OCCO1 ZINC000011878796 211263418 /nfs/dbraw/zinc/26/34/18/211263418.db2.gz QPKZQDBCPKGWAE-KRWDZBQOSA-N 1 0 330.428 2.088 50 0 EEAARO COc1cc(Cl)c(C[N@@H+]2CC[C@@]3(C2)CCCNC3=O)cc1OC ZINC000091536986 218019038 /nfs/dbraw/zinc/01/90/38/218019038.db2.gz VUPYSLGKNXMZGU-QGZVFWFLSA-N 1 0 338.835 2.459 50 0 EEAARO [NH3+][C@H](Cc1ccccc1)C(=O)N1CCCN(c2ccc(F)cc2)CC1 ZINC000091574238 218023411 /nfs/dbraw/zinc/02/34/11/218023411.db2.gz USOSZCNYADMXLY-LJQANCHMSA-N 1 0 341.430 2.434 50 0 EEAARO CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C2CCOCC2)C3)ccn1 ZINC000091738547 218056308 /nfs/dbraw/zinc/05/63/08/218056308.db2.gz VJPFXGZTPSMBRI-HNAYVOBHSA-N 1 0 343.471 2.359 50 0 EEAARO Cc1ccc(C)c2c(=O)cc(C[N@@H+]3CCCC[C@H]3CC(N)=O)[nH]c12 ZINC000091872869 218082290 /nfs/dbraw/zinc/08/22/90/218082290.db2.gz JNGQCGLRBSGEEN-HNNXBMFYSA-N 1 0 327.428 2.375 50 0 EEAARO C[N@@H+]1C[C@H]2CC[C@@H]1CN(S(=O)(=O)c1cccc(C(F)(F)F)c1)C2 ZINC000092038577 218109702 /nfs/dbraw/zinc/10/97/02/218109702.db2.gz PSQZUNWOGRDGJY-DGCLKSJQSA-N 1 0 348.390 2.420 50 0 EEAARO Cc1nc(CC2CCN(C(=O)CC[C@@H]3CCC[N@@H+](C)C3)CC2)no1 ZINC000095358195 218291270 /nfs/dbraw/zinc/29/12/70/218291270.db2.gz BRGXOUVHDTZVFT-INIZCTEOSA-N 1 0 334.464 2.281 50 0 EEAARO CC(C)([NH3+])C(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095376775 218309162 /nfs/dbraw/zinc/30/91/62/218309162.db2.gz NNGWHCZSNGFKDH-GVDBMIGSSA-N 1 0 349.425 2.091 50 0 EEAARO Cc1cccc(C(=O)N2CCC[C@@H](c3nccn3CC[NH+](C)C)C2)n1 ZINC000095384747 218317002 /nfs/dbraw/zinc/31/70/02/218317002.db2.gz BATFAAIVZGUYAO-MRXNPFEDSA-N 1 0 341.459 2.168 50 0 EEAARO OC[C@H]1CN(c2cc(C(F)(F)F)ccn2)C[C@H]1C[NH+]1CCCC1 ZINC000091997586 285293249 /nfs/dbraw/zinc/29/32/49/285293249.db2.gz CCBPSKNRPQQDDA-CHWSQXEVSA-N 1 0 329.366 2.241 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cnc(N4CCCC4)s3)[C@H]1C[C@H](O)CC2 ZINC000299789109 258095479 /nfs/dbraw/zinc/09/54/79/258095479.db2.gz VYZFKFPJYPYXAK-UKPHBRMFSA-N 1 0 337.489 2.248 50 0 EEAARO CNC(=O)[C@@H](NC(=O)C1([NH+]2CCCC2)CCCCC1)c1ccccc1 ZINC000299789381 258095738 /nfs/dbraw/zinc/09/57/38/258095738.db2.gz YUYUFXCXYFOZGQ-KRWDZBQOSA-N 1 0 343.471 2.389 50 0 EEAARO COc1ccccc1NC(=O)NC1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000299792666 258097945 /nfs/dbraw/zinc/09/79/45/258097945.db2.gz FPQDWJNDNXYCDL-OAHLLOKOSA-N 1 0 333.432 2.460 50 0 EEAARO [NH3+]CCCOc1ccc(CN2CCN(c3ccccn3)CC2)cc1 ZINC000299797827 258101954 /nfs/dbraw/zinc/10/19/54/258101954.db2.gz PIOYAQPXUWKRGP-UHFFFAOYSA-N 1 0 326.444 2.131 50 0 EEAARO O=C1C[C@H]([NH2+]Cc2ccc3nonc3c2)CN1CCc1ccccc1 ZINC000055060977 258061087 /nfs/dbraw/zinc/06/10/87/258061087.db2.gz WTRPLWIRUZFBDX-INIZCTEOSA-N 1 0 336.395 2.156 50 0 EEAARO COC(=O)c1cc(NC(=O)N2CCC[C@H]([NH3+])CC2)ccc1Cl ZINC000299757545 258075207 /nfs/dbraw/zinc/07/52/07/258075207.db2.gz JHWKXAPVKACAEP-JTQLQIEISA-N 1 0 325.796 2.472 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cc(-c4cccnc4)no3)[C@H]1C[C@H](O)CC2 ZINC000299759552 258076693 /nfs/dbraw/zinc/07/66/93/258076693.db2.gz OOTVGTAHIMHWGE-FHLIZLRMSA-N 1 0 329.400 2.241 50 0 EEAARO CN(C)S(=O)(=O)CCC[N@H+](C)Cc1cccc(C(F)(F)F)c1 ZINC000343987072 161186967 /nfs/dbraw/zinc/18/69/67/161186967.db2.gz RRVGRCASNQSOJU-UHFFFAOYSA-N 1 0 338.395 2.419 50 0 EEAARO CCNc1nc(N2CCN(C(=O)c3ccccc3)CC2)cc(C)[nH+]1 ZINC000065363278 273687483 /nfs/dbraw/zinc/68/74/83/273687483.db2.gz 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COc1ccc([C@H](C[NH2+]C[C@@H](O)CO)c2c[nH]c3ccccc32)cc1 ZINC000006787583 462705715 /nfs/dbraw/zinc/70/57/15/462705715.db2.gz UVJSDAPODUUICQ-QAPCUYQASA-N 1 0 340.423 2.251 50 0 EEAARO COCCN(CC(=O)Nc1cccc(C)c1C)C1CC[NH+](C)CC1 ZINC000065375573 462760145 /nfs/dbraw/zinc/76/01/45/462760145.db2.gz BBLNJZMLSKWMFK-UHFFFAOYSA-N 1 0 333.476 2.285 50 0 EEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+][C@@H]1CCc2c1cccc2F ZINC000065474476 462777476 /nfs/dbraw/zinc/77/74/76/462777476.db2.gz XAOOGIDQCGHQHT-GOSISDBHSA-N 1 0 344.434 2.481 50 0 EEAARO CN(C)C(=O)[C@@H]([NH2+]CCC(=O)NC1CCCCC1)c1ccccc1 ZINC000065529734 462791146 /nfs/dbraw/zinc/79/11/46/462791146.db2.gz QWTBCKSEMYLWJL-SFHVURJKSA-N 1 0 331.460 2.245 50 0 EEAARO COc1ccccc1COC[C@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000065541106 462793462 /nfs/dbraw/zinc/79/34/62/462793462.db2.gz PBWFYESGPZYPBX-GOSISDBHSA-N 1 0 345.443 2.175 50 0 EEAARO CCC(=O)N1CCc2[nH]cnc2C12CC[NH+](Cc1ccncc1)CC2 ZINC000091830637 462909339 /nfs/dbraw/zinc/90/93/39/462909339.db2.gz JUVVARYJUJWBLP-UHFFFAOYSA-N 1 0 339.443 2.091 50 0 EEAARO O=S(=O)(NC1CC[NH+](C2CC2)CC1)c1ccc(F)c(Cl)c1 ZINC000014102432 462911433 /nfs/dbraw/zinc/91/14/33/462911433.db2.gz SEMCWYBDXSTBJM-UHFFFAOYSA-N 1 0 332.828 2.384 50 0 EEAARO COc1ncccc1C(=O)N(C)C[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000077374992 462975313 /nfs/dbraw/zinc/97/53/13/462975313.db2.gz CIIFNLYTFMGAKT-MRXNPFEDSA-N 1 0 325.412 2.219 50 0 EEAARO Cc1nc(C[NH3+])cc(N2CCC([C@@H](O)Cc3ccccc3)CC2)n1 ZINC000067649108 463031025 /nfs/dbraw/zinc/03/10/25/463031025.db2.gz CKGHOZJGOYQJDI-SFHVURJKSA-N 1 0 326.444 2.064 50 0 EEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc4c(c3)CCO4)cn2)CC1 ZINC000024444735 463086620 /nfs/dbraw/zinc/08/66/20/463086620.db2.gz JQQBDROQKAKZMT-UHFFFAOYSA-N 1 0 338.411 2.021 50 0 EEAARO c1ccc(CN2CC[C@H]([NH2+]C3CCN(c4ncccn4)CC3)C2)cc1 ZINC000095515178 463100928 /nfs/dbraw/zinc/10/09/28/463100928.db2.gz VOAFOTKXUUCABM-IBGZPJMESA-N 1 0 337.471 2.310 50 0 EEAARO C[NH+](C)CCn1ccnc1[C@H]1CCCN(C(=O)CC(F)(F)F)C1 ZINC000095519723 463102477 /nfs/dbraw/zinc/10/24/77/463102477.db2.gz KCWFAUHITBPMBV-LBPRGKRZSA-N 1 0 332.370 2.103 50 0 EEAARO C[NH+]1CCC(Cc2nc3c(c(=O)[nH]2)Cc2ccccc2OC3)CC1 ZINC000095527339 463103294 /nfs/dbraw/zinc/10/32/94/463103294.db2.gz LQXPVKMOAGRTNQ-UHFFFAOYSA-N 1 0 325.412 2.137 50 0 EEAARO O=C(CN1CC[NH+](CCc2ccccc2)CC1)NCc1ccccc1 ZINC000024958538 463103736 /nfs/dbraw/zinc/10/37/36/463103736.db2.gz KZUXTZVMZUKFDD-UHFFFAOYSA-N 1 0 337.467 2.163 50 0 EEAARO Cc1ccc(OC[C@H](O)C[N@H+](CCC(N)=O)Cc2ccccc2)cc1 ZINC000025302942 463117508 /nfs/dbraw/zinc/11/75/08/463117508.db2.gz GZVLLGSEOGCAKU-GOSISDBHSA-N 1 0 342.439 2.112 50 0 EEAARO Cc1cccc(-c2nc(CC[N@@H+]3C[C@@H]4CC[C@H]3C4)n(CCO)n2)c1 ZINC000096165655 463193167 /nfs/dbraw/zinc/19/31/67/463193167.db2.gz ZNRNFAMODKQSBM-WBVHZDCISA-N 1 0 326.444 2.273 50 0 EEAARO O=C(COC[C@@H]1CCCO1)NCC1CC[NH+](Cc2ccccc2)CC1 ZINC000069299183 463227304 /nfs/dbraw/zinc/22/73/04/463227304.db2.gz VDZITDPGMYEECD-IBGZPJMESA-N 1 0 346.471 2.210 50 0 EEAARO CC[NH+]1CCC(NC(=O)c2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000029605874 463264836 /nfs/dbraw/zinc/26/48/36/463264836.db2.gz SMNPHGUDRFEZFT-GOSISDBHSA-N 1 0 332.444 2.459 50 0 EEAARO Cc1ncc(C(=O)N(C)CC2([NH+]3CCCCC3)CCCCC2)c(=O)[nH]1 ZINC000072411669 463509040 /nfs/dbraw/zinc/50/90/40/463509040.db2.gz UKZDHCFOQMUBDP-UHFFFAOYSA-N 1 0 346.475 2.339 50 0 EEAARO c1sc(-c2ncccn2)nc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000082138944 463518094 /nfs/dbraw/zinc/51/80/94/463518094.db2.gz SEIDDFZPVZHMOD-ZDUSSCGKSA-N 1 0 346.456 2.418 50 0 EEAARO O=C(NCc1cc2n(n1)CC[N@@H+](C1CCCCC1)C2)N1CCCC1 ZINC000082162080 463519590 /nfs/dbraw/zinc/51/95/90/463519590.db2.gz CPXMXLCZQXBIFE-UHFFFAOYSA-N 1 0 331.464 2.337 50 0 EEAARO COc1cccc([C@H]2[C@H]([NH2+]Cc3ccnn3C)CCN2C2CC2)c1 ZINC000108492724 463606825 /nfs/dbraw/zinc/60/68/25/463606825.db2.gz UCZGZIARGWOZGL-MOPGFXCFSA-N 1 0 326.444 2.496 50 0 EEAARO Cc1ccccc1C1CC([NH2+]CC2(S(C)(=O)=O)CCOCC2)C1 ZINC000126541074 463646200 /nfs/dbraw/zinc/64/62/00/463646200.db2.gz LSHIXJDAGWSTTI-UHFFFAOYSA-N 1 0 337.485 2.424 50 0 EEAARO Cc1ccc2[nH]c([C@H](C)NC(=O)CN(C)C3CC[NH+](C)CC3)nc2c1 ZINC000220745893 464119542 /nfs/dbraw/zinc/11/95/42/464119542.db2.gz BGTXYKWFRQNKPK-AWEZNQCLSA-N 1 0 343.475 2.075 50 0 EEAARO C[NH+]1CCC(CNC(=O)[C@H]2CCC[C@H](O)C2)(c2ccccc2)CC1 ZINC000222762463 464133647 /nfs/dbraw/zinc/13/36/47/464133647.db2.gz HOQBRAIAHXDWFW-WMZOPIPTSA-N 1 0 330.472 2.317 50 0 EEAARO CCC1=NO[C@@H](C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)C1 ZINC000244724563 464461911 /nfs/dbraw/zinc/46/19/11/464461911.db2.gz MWILHHXPJOQAJT-MRXNPFEDSA-N 1 0 325.416 2.358 50 0 EEAARO CCn1nc(C)c(NC(=O)CN2CC([N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000252502624 464972306 /nfs/dbraw/zinc/97/23/06/464972306.db2.gz URTVVMBIZACFDC-CYBMUJFWSA-N 1 0 333.480 2.017 50 0 EEAARO CCCC[N@@H+]1CCn2nc(CNC(=O)c3cccc(C)c3O)cc2C1 ZINC000299770272 465885558 /nfs/dbraw/zinc/88/55/58/465885558.db2.gz QUZNAHSCOINPOB-UHFFFAOYSA-N 1 0 342.443 2.443 50 0 EEAARO Cc1nc(-c2ccc(C(=O)NCCCC[NH+]3CCCC3)cc2)nn1C ZINC000584884386 468954190 /nfs/dbraw/zinc/95/41/90/468954190.db2.gz PIKPBQTUUIGNFH-UHFFFAOYSA-N 1 0 341.459 2.396 50 0 EEAARO Cc1cccc(OC2CN(C(=O)NCC[C@@H]3CCC[N@@H+](C)C3)C2)c1 ZINC000584900644 468960073 /nfs/dbraw/zinc/96/00/73/468960073.db2.gz WIBRJBGZADJERI-INIZCTEOSA-N 1 0 331.460 2.500 50 0 EEAARO CN(CC(=O)NC[C@@H]1CC[N@@H+](C2CCCCC2)C1)Cc1ccncc1 ZINC000219676658 485531999 /nfs/dbraw/zinc/53/19/99/485531999.db2.gz WZGPZJJPVAPHNP-SFHVURJKSA-N 1 0 344.503 2.284 50 0 EEAARO CCc1cc(N2CC[NH+]([C@@H](C)Cn3nc(C)cc3C)CC2)ncn1 ZINC000670438253 485642905 /nfs/dbraw/zinc/64/29/05/485642905.db2.gz CTZWIZSOVIWKNJ-INIZCTEOSA-N 1 0 328.464 2.063 50 0 EEAARO CC(C)c1cc(C(=O)N[C@@H]2COCC[C@@H]2OCC[NH+](C)C)cs1 ZINC000219248380 535368241 /nfs/dbraw/zinc/36/82/41/535368241.db2.gz BRBKHGHXHBVKLB-CABCVRRESA-N 1 0 340.489 2.337 50 0 EEAARO CC1(C)COc2c1cc(Cl)cc2CN1C[C@@H]2C[NH2+]C[C@@]2(CO)C1 ZINC001772703122 1179286788 /nfs/dbraw/zinc/28/67/88/1179286788.db2.gz GWNIVIMYXDMPDN-UGSOOPFHSA-N 1 0 336.863 2.024 50 0 EEAARO CC[C@@H]1C(=O)N(C)CCN1Cc1cc2ccc(Cl)cc2[nH]c1=O ZINC000067921386 1243171273 /nfs/dbraw/zinc/17/12/73/1243171273.db2.gz SGZGDXFIMYUPJQ-OAHLLOKOSA-N 1 0 333.819 2.234 50 0 EEAARO O=C1C[C@@H]2OCC=C3C[N@@H+]4CC[C@]56c7ccccc7N1[C@H]5[C@@H]2[C@H]3C[C@H]46 ZINC000006117542 1373257165 /nfs/dbraw/zinc/25/71/65/1373257165.db2.gz QMGVPVSNSZLJIA-ZEHUYGQASA-N 1 0 334.419 2.093 50 0 biogenic EEAARO O=C(c1ccco1)N1CCC[N@@H+](C2CSCCSC2)CC1 ZINC000952861502 796040762 /nfs/dbraw/zinc/04/07/62/796040762.db2.gz HJYKEVIENJNDBE-UHFFFAOYSA-N 1 0 326.487 2.276 50 0 EEAARO CN(C[C@H]1CCCC[N@@H+]1C)S(=O)(=O)Cc1ccc(F)cc1F ZINC000952971822 796111910 /nfs/dbraw/zinc/11/19/10/796111910.db2.gz LFXNZFIYJFBZCD-CQSZACIVSA-N 1 0 332.416 2.211 50 0 EEAARO CN(Cc1ccnn1-c1ccccc1)C[C@H]1CCC[N@H+](CCO)C1 ZINC000952968813 796132812 /nfs/dbraw/zinc/13/28/12/796132812.db2.gz LTGGHKOGMQSHED-QGZVFWFLSA-N 1 0 328.460 2.008 50 0 EEAARO C[C@H](NC(=O)C[NH+]1CCCCCC1)c1ccc(-n2cncn2)cc1 ZINC000822267622 798649691 /nfs/dbraw/zinc/64/96/91/798649691.db2.gz CDPCKWVUDXKLKP-HNNXBMFYSA-N 1 0 327.432 2.321 50 0 EEAARO O=C(C[NH+]1CCCCCC1)N1CCc2[nH]cnc2[C@H]1c1ccncc1 ZINC000827972509 800554012 /nfs/dbraw/zinc/55/40/12/800554012.db2.gz LVTXIOOIVIQQHH-LJQANCHMSA-N 1 0 339.443 2.155 50 0 EEAARO CCN(C)c1cc(NC2CC[NH+](Cc3cccnc3)CC2)ncn1 ZINC001529098388 1121311207 /nfs/dbraw/zinc/31/12/07/1121311207.db2.gz CZQNEJWKXOTSKN-UHFFFAOYSA-N 1 0 326.448 2.404 50 0 EEAARO C[NH+](C)CCC[NH2+][C@@H](CC(=O)Nc1ccc2ccccc2c1)C(=O)[O-] ZINC000054435388 214239077 /nfs/dbraw/zinc/23/90/77/214239077.db2.gz KFHOSMHGVIXCOR-KRWDZBQOSA-N 1 0 343.427 2.163 50 0 EEAARO CCn1nc(C)c(C[N@H+](CC)Cc2cccc(OCC(N)=O)c2)c1C ZINC000055119226 214276644 /nfs/dbraw/zinc/27/66/44/214276644.db2.gz MHWHGKMEWCZIPJ-UHFFFAOYSA-N 1 0 344.459 2.406 50 0 EEAARO O=C(Nc1cccc(OC(F)F)c1)N[C@H]1COC[C@@H]1[NH+]1CCCC1 ZINC000097784939 219056571 /nfs/dbraw/zinc/05/65/71/219056571.db2.gz JIMBMEKYSCKKCC-KBPBESRZSA-N 1 0 341.358 2.273 50 0 EEAARO O=C(NCc1cc(F)cc(C(F)(F)F)c1)C1CC[NH+](CCO)CC1 ZINC000097785640 219057710 /nfs/dbraw/zinc/05/77/10/219057710.db2.gz ZJZBFYPGKUBKBN-UHFFFAOYSA-N 1 0 348.340 2.165 50 0 EEAARO Cn1nnnc1SCC[NH2+]Cc1ccc(-c2ccc(F)cc2)o1 ZINC000004488467 210201857 /nfs/dbraw/zinc/20/18/57/210201857.db2.gz YIFMXHAISQXBTE-UHFFFAOYSA-N 1 0 333.392 2.491 50 0 EEAARO Cc1ccc(C)c(C(=O)NCCNc2cc(N(C)C)nc(C)[nH+]2)c1 ZINC000067612175 215169034 /nfs/dbraw/zinc/16/90/34/215169034.db2.gz JDUVLGFGMOZBFG-UHFFFAOYSA-N 1 0 327.432 2.310 50 0 EEAARO CC(C)Nc1ncc(CN2CCC([NH+]3CCSCC3)CC2)cn1 ZINC000067673204 215176951 /nfs/dbraw/zinc/17/69/51/215176951.db2.gz AYGLWYSBKMJIDK-UHFFFAOYSA-N 1 0 335.521 2.310 50 0 EEAARO Cc1cc(CC(=O)NC[C@@H]2CC[N@H+](Cc3ccccc3F)C2)on1 ZINC000067880530 215239711 /nfs/dbraw/zinc/23/97/11/215239711.db2.gz QZBBFFGMAPHILY-AWEZNQCLSA-N 1 0 331.391 2.303 50 0 EEAARO CCn1c(=O)n(C)nc1C1CCN(Cc2coc(C(C)C)n2)CC1 ZINC000067921966 215251823 /nfs/dbraw/zinc/25/18/23/215251823.db2.gz PJNYTPYSEFZMLJ-UHFFFAOYSA-N 1 0 333.436 2.093 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(COc2cccc(F)c2)n[nH]1 ZINC000067973558 215263931 /nfs/dbraw/zinc/26/39/31/215263931.db2.gz KFFZFSFUJIMDNZ-HNNXBMFYSA-N 1 0 346.406 2.342 50 0 EEAARO Cn1cc(NC(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)nn1 ZINC000097217426 282660010 /nfs/dbraw/zinc/66/00/10/282660010.db2.gz ZMCZCHXCGFUHND-HNNXBMFYSA-N 1 0 346.410 2.303 50 0 EEAARO CCOc1ccc(/C=C\C(=O)N(C)CCCN2CC[NH+](C)CC2)cc1 ZINC000104118937 219347989 /nfs/dbraw/zinc/34/79/89/219347989.db2.gz AWIMKTPNVRSONZ-FLIBITNWSA-N 1 0 345.487 2.194 50 0 EEAARO Cc1nn(C)cc1CN1CC[N@H+](Cc2ccc(C)cc2)[C@H](CCO)C1 ZINC000104507053 219392118 /nfs/dbraw/zinc/39/21/18/219392118.db2.gz YYVSCZBPNGIYFH-HXUWFJFHSA-N 1 0 342.487 2.106 50 0 EEAARO CCn1c(=O)[nH]nc1CC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000071662489 215792995 /nfs/dbraw/zinc/79/29/95/215792995.db2.gz INRGHVALKSQAAY-UHFFFAOYSA-N 1 0 336.386 2.324 50 0 EEAARO O=C(c1cccs1)[C@H]1CCCN(Cc2cc3n(n2)CC[NH2+]C3)C1 ZINC000072128287 216019088 /nfs/dbraw/zinc/01/90/88/216019088.db2.gz UWUBLELKBCNIRA-ZDUSSCGKSA-N 1 0 330.457 2.143 50 0 EEAARO Cc1ccc(C)c(-c2n[nH]cc2C[N@@H+]2CCC[C@@](O)(CO)CC2)c1 ZINC000072138717 216025979 /nfs/dbraw/zinc/02/59/79/216025979.db2.gz UQANXROAJKBRJE-IBGZPJMESA-N 1 0 329.444 2.403 50 0 EEAARO C[C@@H](CNC(=O)N1CC[C@H](C[NH+](C)C)C1)N1CCc2ccccc21 ZINC000129580367 223071602 /nfs/dbraw/zinc/07/16/02/223071602.db2.gz SSLHGYXTHFBGST-JKSUJKDBSA-N 1 0 330.476 2.031 50 0 EEAARO c1coc(C[N@@H+]2CCc3ncnc(N4CCSCC4)c3CC2)c1 ZINC000072409519 216201671 /nfs/dbraw/zinc/20/16/71/216201671.db2.gz NAFZPDLBTJNSLY-UHFFFAOYSA-N 1 0 330.457 2.224 50 0 EEAARO c1ccn(CCNc2nc(-c3ccccn3)nc3c2CC[NH2+]CC3)c1 ZINC000072417972 216206072 /nfs/dbraw/zinc/20/60/72/216206072.db2.gz VITVVKLLNBOZOA-UHFFFAOYSA-N 1 0 334.427 2.140 50 0 EEAARO [NH3+]CCCN1C(=O)CC[C@H]2CN(C(=O)CC3=CCCCC3)CC[C@H]21 ZINC000072419459 216207433 /nfs/dbraw/zinc/20/74/33/216207433.db2.gz ZRFOCNRCACNDTR-DLBZAZTESA-N 1 0 333.476 2.065 50 0 EEAARO CC(C)Cc1cc(Cn2ccnc2-c2cc3n(n2)CC[NH2+]C3)no1 ZINC000072422667 216211556 /nfs/dbraw/zinc/21/15/56/216211556.db2.gz IMPQMCMUWABFIU-UHFFFAOYSA-N 1 0 326.404 2.085 50 0 EEAARO C[NH+]1CCN(CCCSc2nnc3c4ccccc4[nH]c3n2)CC1 ZINC000023087741 212347151 /nfs/dbraw/zinc/34/71/51/212347151.db2.gz AUAKAZAYTPSUNZ-UHFFFAOYSA-N 1 0 342.472 2.236 50 0 EEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCSc1ccccc1 ZINC000426386481 241273615 /nfs/dbraw/zinc/27/36/15/241273615.db2.gz WCICICQGRJHEJV-HNNXBMFYSA-N 1 0 344.484 2.259 50 0 EEAARO COc1ccc(C(=O)NCc2cc(F)ccc2F)c(OCC[NH3+])c1 ZINC000426432038 241284603 /nfs/dbraw/zinc/28/46/03/241284603.db2.gz QTURZZRTKXBMLA-UHFFFAOYSA-N 1 0 336.338 2.241 50 0 EEAARO COc1ccc(C(=O)N[C@H](C)c2csc(C)n2)c(OCC[NH3+])c1 ZINC000426477886 241293980 /nfs/dbraw/zinc/29/39/80/241293980.db2.gz JCMIEOBDQRRFOA-SNVBAGLBSA-N 1 0 335.429 2.289 50 0 EEAARO O=C(Cn1nccc1[C@@H]1CCC[NH2+]C1)NCCCc1ccccc1 ZINC000426531557 241304789 /nfs/dbraw/zinc/30/47/89/241304789.db2.gz HZBFKBSLOFHDMC-QGZVFWFLSA-N 1 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/nfs/dbraw/zinc/37/78/38/211377838.db2.gz KFKFPXHNANDHGA-INIZCTEOSA-N 1 0 348.443 2.188 50 0 EEAARO COC1CC[NH+](C[C@]2(O)CCCN(CC3CCCCC3)C2=O)CC1 ZINC000012471355 211390510 /nfs/dbraw/zinc/39/05/10/211390510.db2.gz ADMWDANXHNKZGB-LJQANCHMSA-N 1 0 338.492 2.031 50 0 EEAARO CC[NH+](CC)CCNC(=O)c1nc(-c2ccc3cc[nH]c3c2)no1 ZINC000012390232 211366801 /nfs/dbraw/zinc/36/68/01/211366801.db2.gz ZAQFGNVLDULSMY-UHFFFAOYSA-N 1 0 327.388 2.290 50 0 EEAARO CN(C)c1cccc(C(=O)N[C@@H]2CCC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000012305772 211339038 /nfs/dbraw/zinc/33/90/38/211339038.db2.gz OZTPAOBDCZYZOM-QGZVFWFLSA-N 1 0 344.503 2.041 50 0 EEAARO COc1ccccc1C(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+](C)C ZINC000012196138 211317677 /nfs/dbraw/zinc/31/76/77/211317677.db2.gz GXKVCDBDPBGUNA-OAHLLOKOSA-N 1 0 342.395 2.457 50 0 EEAARO CC(C)(C)[NH2+]C[C@@]1(O)CCCN(Cc2ccc(F)c(F)c2)C1=O ZINC000012052948 211284826 /nfs/dbraw/zinc/28/48/26/211284826.db2.gz YMAXCRPFEMJCPG-KRWDZBQOSA-N 1 0 326.387 2.206 50 0 EEAARO 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Cc1ccc(OCCNc2cc([C@H]3C[C@@H](O)C3)[nH+]c(N)n2)cc1C ZINC000244873391 243090628 /nfs/dbraw/zinc/09/06/28/243090628.db2.gz WPPNKNPZERKZFY-OKILXGFUSA-N 1 0 328.416 2.405 50 0 EEAARO CC[N@@H+](CC(=O)Nc1ccccc1NC(C)=O)CC1CCOCC1 ZINC000244873096 243091951 /nfs/dbraw/zinc/09/19/51/243091951.db2.gz WJZIQZGLUFGNEY-UHFFFAOYSA-N 1 0 333.432 2.332 50 0 EEAARO CC[NH+]1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCc1ccccc1 ZINC000020531733 212144858 /nfs/dbraw/zinc/14/48/58/212144858.db2.gz PXWWOZXAKRYHTE-UHFFFAOYSA-N 1 0 342.439 2.073 50 0 biogenic EEAARO C[N@H+](CCC[C@@H]1CCCO1)Cc1cc(=O)c2cc(C(N)=O)ccc2[nH]1 ZINC000253536456 244013634 /nfs/dbraw/zinc/01/36/34/244013634.db2.gz RMDNYNDYNGWLLG-OAHLLOKOSA-N 1 0 343.427 2.430 50 0 EEAARO OCc1cn(CC2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)nn1 ZINC000019537254 212040951 /nfs/dbraw/zinc/04/09/51/212040951.db2.gz UUTPONQMLZFPII-IBGZPJMESA-N 1 0 326.444 2.040 50 0 EEAARO CCOC(=O)C1(CCCc2ccccc2)CC[NH+](C[C@H](O)CO)CC1 ZINC000012744814 211442817 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Cc1nc2c(c(NCc3cnn(-c4ccccc4)c3)n1)CC[NH2+]CC2 ZINC000072436760 216232556 /nfs/dbraw/zinc/23/25/56/216232556.db2.gz PJZZRPDMNKVHOY-UHFFFAOYSA-N 1 0 334.427 2.271 50 0 EEAARO C[NH+](C)C[C@]1(O)CCCN(Cc2cnc(C3CCCCC3)nc2)C1 ZINC000072479611 216258975 /nfs/dbraw/zinc/25/89/75/216258975.db2.gz PNZMPKWXGLSJCN-LJQANCHMSA-N 1 0 332.492 2.413 50 0 EEAARO CCOc1cc(CN2CC[N@H+](CC(C)C)[C@@H](CCO)C2)ccc1O ZINC000022920175 212333764 /nfs/dbraw/zinc/33/37/64/212333764.db2.gz OATRPIFGHCIRBP-KRWDZBQOSA-N 1 0 336.476 2.316 50 0 EEAARO CN1CC[NH+](CC2(CNC(=O)C[C@H]3CCc4ccccc43)CC2)CC1 ZINC000215133925 241109018 /nfs/dbraw/zinc/10/90/18/241109018.db2.gz RPSSMWQUQRNDPC-GOSISDBHSA-N 1 0 341.499 2.250 50 0 EEAARO O[C@H]1CN(Cc2cnc(C3CCCCC3)nc2)C[C@@H]1[NH+]1CCCC1 ZINC000216208829 241175611 /nfs/dbraw/zinc/17/56/11/241175611.db2.gz AYIIXVIHNRKYIO-ROUUACIJSA-N 1 0 330.476 2.165 50 0 EEAARO CC(C)c1nc(CCN(C)C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)no1 ZINC000426701738 241326926 /nfs/dbraw/zinc/32/69/26/241326926.db2.gz 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CC1(C)CC(NC(=O)c2nc(-c3cccnc3)no2)CC(C)(C)[NH2+]1 ZINC000012391907 211367510 /nfs/dbraw/zinc/36/75/10/211367510.db2.gz SWNBXXGUJYXRAN-UHFFFAOYSA-N 1 0 329.404 2.171 50 0 EEAARO CC(C)CN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000012003331 211279579 /nfs/dbraw/zinc/27/95/79/211279579.db2.gz ZZDVWGNLRWLHAJ-KRWDZBQOSA-N 1 0 349.519 2.214 50 0 EEAARO COC(=O)CCCC(=O)N[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011933589 211270673 /nfs/dbraw/zinc/27/06/73/211270673.db2.gz CCKLRESWQVZXCO-KRWDZBQOSA-N 1 0 344.455 2.078 50 0 EEAARO Cn1c(Cn2cncn2)nnc1C1CC[NH+](CC2CCCCC2)CC1 ZINC000091445165 218006934 /nfs/dbraw/zinc/00/69/34/218006934.db2.gz LIAQDIGEDMDROS-UHFFFAOYSA-N 1 0 343.479 2.215 50 0 EEAARO C[C@]1(c2ccccc2)CCC(=O)N(CCC[NH+]2CCC(O)CC2)C1 ZINC000091494411 218013855 /nfs/dbraw/zinc/01/38/55/218013855.db2.gz PAVRTAPOWNOMTA-FQEVSTJZSA-N 1 0 330.472 2.414 50 0 EEAARO COc1ccc2c(c1)OC[C@H](C(=O)NCCNc1cc[nH+]cc1C)C2 ZINC000091644397 218037798 /nfs/dbraw/zinc/03/77/98/218037798.db2.gz 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ZINC000095391842 218324213 /nfs/dbraw/zinc/32/42/13/218324213.db2.gz OLGMYGUYBHJTLI-SFHVURJKSA-N 1 0 343.471 2.374 50 0 EEAARO Cc1csc(=O)n1CC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000008314983 210930831 /nfs/dbraw/zinc/93/08/31/210930831.db2.gz DMNOMCTXFQCDSS-UHFFFAOYSA-N 1 0 345.468 2.130 50 0 EEAARO O=C(NCC[N@H+]1CCCC[C@@H]1CO)Nc1cccc(-c2cc[nH]n2)c1 ZINC000299794562 258099362 /nfs/dbraw/zinc/09/93/62/258099362.db2.gz KNWYBYCAXNZGGS-MRXNPFEDSA-N 1 0 343.431 2.045 50 0 EEAARO O=C(CSCC[NH+]1CCCC1)NCc1nc2c(s1)CCCC2 ZINC000299760031 258077506 /nfs/dbraw/zinc/07/75/06/258077506.db2.gz UANPNSINBCKVHN-UHFFFAOYSA-N 1 0 339.530 2.467 50 0 EEAARO COc1cccc(CNC(=O)N2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000129166483 533494563 /nfs/dbraw/zinc/49/45/63/533494563.db2.gz NPMVYTXUQLHFKT-UHFFFAOYSA-N 1 0 346.475 2.498 50 0 EEAARO O=C(c1ccc(Cl)s1)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077456867 275012500 /nfs/dbraw/zinc/01/25/00/275012500.db2.gz KRYXZFZVCUOWMK-OAHLLOKOSA-N 1 0 328.865 2.464 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1noc2c1COc1ccccc1-2 ZINC000033028792 276173662 /nfs/dbraw/zinc/17/36/62/276173662.db2.gz NSNLXHPCSVESFP-GFCCVEGCSA-N 1 0 327.384 2.448 50 0 EEAARO CC(C)(C)[S@](=O)CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000120257856 277263405 /nfs/dbraw/zinc/26/34/05/277263405.db2.gz GPMMAMNOZLWOLR-WNSKOXEYSA-N 1 0 343.537 2.194 50 0 EEAARO C[C@H](NC(=O)N1CCC(CCn2cccn2)CC1)C1CC[NH+](C)CC1 ZINC000534667302 468272118 /nfs/dbraw/zinc/27/21/18/468272118.db2.gz KLFWABFLOOUNHY-INIZCTEOSA-N 1 0 347.507 2.425 50 0 EEAARO C[NH+]1CCC2(CCN(C(=O)CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000065375983 462759719 /nfs/dbraw/zinc/75/97/19/462759719.db2.gz ATHCSLFSCLYCFZ-UHFFFAOYSA-N 1 0 347.434 2.489 50 0 EEAARO CCOC(=O)N1CCC([NH2+]Cc2csc(-c3cnccn3)n2)CC1 ZINC000065371250 462759744 /nfs/dbraw/zinc/75/97/44/462759744.db2.gz ZGQAHAIRPWHGSW-UHFFFAOYSA-N 1 0 347.444 2.311 50 0 EEAARO CCc1nc(NC(=O)c2cccc(C[N@H+]3CC=CCC3)c2)nn1C ZINC000065399310 462764291 /nfs/dbraw/zinc/76/42/91/462764291.db2.gz 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/nfs/dbraw/zinc/92/84/17/462928417.db2.gz KLTOAXFODNIRFD-UHFFFAOYSA-N 1 0 330.432 2.109 50 0 EEAARO NC(=O)C[C@@H]([NH2+]Cc1cc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000119875637 462936505 /nfs/dbraw/zinc/93/65/05/462936505.db2.gz OYTDWQZEVYRXKG-QGZVFWFLSA-N 1 0 327.428 2.442 50 0 EEAARO O[C@@H]1C[N@H+](Cc2ccc(-c3ccco3)cc2)CC[C@H]1N1CCOCC1 ZINC000014966752 462936755 /nfs/dbraw/zinc/93/67/55/462936755.db2.gz FXYODHJFSZILOA-RTBURBONSA-N 1 0 342.439 2.214 50 0 EEAARO Cc1nccn1CCC[N@@H+]1CCC[C@]2(CCC(=O)N(C3CC3)C2)C1 ZINC000077470285 462990419 /nfs/dbraw/zinc/99/04/19/462990419.db2.gz IUYASXZPCOZJLI-IBGZPJMESA-N 1 0 330.476 2.449 50 0 EEAARO CCNc1cc(N2CCN(C(=O)c3ccccc3)CC2)nc(C)[nH+]1 ZINC000067602069 463025004 /nfs/dbraw/zinc/02/50/04/463025004.db2.gz UCUBANNXEQWRSB-UHFFFAOYSA-N 1 0 325.416 2.179 50 0 EEAARO CCNc1cc(N2CCN(C(=O)c3ccccc3F)CC2)nc(C)[nH+]1 ZINC000067612302 463025957 /nfs/dbraw/zinc/02/59/57/463025957.db2.gz HKSJKXWSNKCQEE-UHFFFAOYSA-N 1 0 343.406 2.318 50 0 EEAARO C[C@H]1c2ccccc2O[C@H]1C(=O)NCCC[NH2+]Cc1cccnc1 ZINC000120846749 463046951 /nfs/dbraw/zinc/04/69/51/463046951.db2.gz JSTTYKHLJQDBRV-KBXCAEBGSA-N 1 0 325.412 2.242 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cc(-c2ccc(OC)cc2)n[nH]1 ZINC000095479101 463093091 /nfs/dbraw/zinc/09/30/91/463093091.db2.gz QPEMLXGOHVTTQG-AWEZNQCLSA-N 1 0 328.416 2.299 50 0 EEAARO CN(CCc1ccccc1)c1cnn(C[C@@H]2CCCC[N@@H+]2C)c(=O)c1 ZINC000095509913 463098753 /nfs/dbraw/zinc/09/87/53/463098753.db2.gz ZDCSTROYIRMGJQ-SFHVURJKSA-N 1 0 340.471 2.407 50 0 EEAARO CCn1nc(CO)c2c1CC[N@H+](C[C@H]1CCOc3ccccc3C1)C2 ZINC000095509863 463099607 /nfs/dbraw/zinc/09/96/07/463099607.db2.gz WASMCOVNWHMIMP-HNNXBMFYSA-N 1 0 341.455 2.395 50 0 EEAARO O=C(CNC(=O)C1CCCCC1)N[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000025252461 463115437 /nfs/dbraw/zinc/11/54/37/463115437.db2.gz QPVVRHCFETUVPT-GOSISDBHSA-N 1 0 343.471 2.074 50 0 EEAARO Cc1n[nH]cc1C[NH2+]Cc1ccc(C(=O)N2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000121864562 463207893 /nfs/dbraw/zinc/20/78/93/463207893.db2.gz HPMDKYQCLUUXNO-KBPBESRZSA-N 1 0 342.443 2.257 50 0 EEAARO Cc1cc[nH+]c(NC[C@@H]2CCN(c3nc(C)nc4c3cnn4C)C2)c1 ZINC000097200991 463346254 /nfs/dbraw/zinc/34/62/54/463346254.db2.gz ASPQVYDOVSMLGX-AWEZNQCLSA-N 1 0 337.431 2.314 50 0 EEAARO Cc1cc(=O)n2nc(NCCC[N@@H+](C)Cc3ccccc3)sc2n1 ZINC000032895071 463400276 /nfs/dbraw/zinc/40/02/76/463400276.db2.gz HFFHKDAJAHBPIO-UHFFFAOYSA-N 1 0 343.456 2.393 50 0 EEAARO CC[NH+](CC)[C@@H](CNC(=O)Cn1ccccc1=O)c1ccsc1 ZINC000032915218 463402301 /nfs/dbraw/zinc/40/23/01/463402301.db2.gz IOUWZUACZAPKMN-HNNXBMFYSA-N 1 0 333.457 2.109 50 0 EEAARO CN1C=CC(C(=O)NCC[N@H+](C)Cc2ccccc2)=C/C1=C/N=O ZINC000034208593 463427122 /nfs/dbraw/zinc/42/71/22/463427122.db2.gz VOLNNHJVIIAERN-LGMDPLHJSA-N 1 0 326.400 2.228 50 0 EEAARO CC(=O)N1CCC(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)CC1 ZINC000041364043 463481428 /nfs/dbraw/zinc/48/14/28/463481428.db2.gz BMKRUVJPVBOAKU-UHFFFAOYSA-N 1 0 349.500 2.041 50 0 EEAARO CC[N@@H+]1CCC[C@](C)(C(=O)N2CCN(c3ccc(C)cc3)C(=O)C2)C1 ZINC000082092224 463513286 /nfs/dbraw/zinc/51/32/86/463513286.db2.gz SANCIOCEQFSTSK-FQEVSTJZSA-N 1 0 343.471 2.292 50 0 EEAARO O=C(NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccccc1Br ZINC000106517069 463519858 /nfs/dbraw/zinc/51/98/58/463519858.db2.gz LFROATLSSBAXCW-NWDGAFQWSA-N 1 0 339.233 2.042 50 0 EEAARO COc1ccccc1COC[C@H](O)C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000106768212 463533947 /nfs/dbraw/zinc/53/39/47/463533947.db2.gz XOYWITQQTLCSSK-QZTJIDSGSA-N 1 0 345.443 2.143 50 0 EEAARO O=C(NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)NCC1(c2ccc(F)cc2)CC1 ZINC000106838850 463540566 /nfs/dbraw/zinc/54/05/66/463540566.db2.gz ORTPQLBQQPCPGC-IRXDYDNUSA-N 1 0 347.434 2.020 50 0 EEAARO COC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[N@@H+]1CCC[C@@H]1C(C)C ZINC000107343366 463566239 /nfs/dbraw/zinc/56/62/39/463566239.db2.gz JAUBYTUCQGIULA-MSOLQXFVSA-N 1 0 344.455 2.233 50 0 EEAARO Cc1nn(C)c(N2CCOCC2)c1C[NH2+]Cc1cc2ccccc2[nH]1 ZINC000058402123 463592645 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345.447 2.482 50 0 EEAARO CN1CC[NH+](C[C@@H]2CCCN(C(=O)NCC3CCCCC3)C2)CC1 ZINC000371678734 465936242 /nfs/dbraw/zinc/93/62/42/465936242.db2.gz DLAJXBRPEQTONE-SFHVURJKSA-N 1 0 336.524 2.236 50 0 EEAARO O=C(c1cccc(-c2cccc(-n3cnnc3)c2)c1)N1CCC[NH2+]CC1 ZINC000534585479 468265790 /nfs/dbraw/zinc/26/57/90/468265790.db2.gz SQLFLKSVVGXSEF-UHFFFAOYSA-N 1 0 347.422 2.370 50 0 EEAARO Cc1c[nH+]ccc1N1CCCN(C(=O)NCC[C@@H]2CCCOC2)CC1 ZINC000534591607 468267475 /nfs/dbraw/zinc/26/74/75/468267475.db2.gz IYVYQCRHZHZJGX-KRWDZBQOSA-N 1 0 346.475 2.428 50 0 EEAARO CCC[N@@H+]1CC[C@@H](NC(=O)N2CCN(Cc3cccc(C)c3)CC2)C1 ZINC000584893091 468958001 /nfs/dbraw/zinc/95/80/01/468958001.db2.gz VQUNWPJCJMVIFE-LJQANCHMSA-N 1 0 344.503 2.307 50 0 EEAARO C[N@@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2ccc(C(N)=O)o2)cc1 ZINC000426700059 536370907 /nfs/dbraw/zinc/37/09/07/536370907.db2.gz OYXDNOCUPARTMM-OAHLLOKOSA-N 1 0 341.411 2.260 50 0 EEAARO COc1ccc(-n2c(C[NH3+])nnc2SC[C@@H]2CCCOC2)cc1 ZINC000426430729 536552516 /nfs/dbraw/zinc/55/25/16/536552516.db2.gz MADOXXUDDVHQIA-GFCCVEGCSA-N 1 0 334.445 2.253 50 0 EEAARO CCOc1cc2c(cc1C[N@@H+]1C[C@@H]3COCC[C@]3(CO)C1)CCC2 ZINC001772708419 1179297962 /nfs/dbraw/zinc/29/79/62/1179297962.db2.gz BUTYQQQTMMFVIB-UYAOXDASSA-N 1 0 331.456 2.405 50 0 EEAARO CC(C)Oc1ccccc1OCC[N@@H+]1C[C@@H]2COCC[C@]2(CO)C1 ZINC001772711456 1179304522 /nfs/dbraw/zinc/30/45/22/1179304522.db2.gz YNCSHNGPZWIYRJ-VQIMIIECSA-N 1 0 335.444 2.183 50 0 EEAARO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc3ccc(F)cc3n(C)c2=O)C1 ZINC000012508906 1195178217 /nfs/dbraw/zinc/17/82/17/1195178217.db2.gz KOLHYTNGETXYGD-AWEZNQCLSA-N 1 0 346.402 2.453 50 0 EEAARO C[C@H](SC1=NN/C(=C2\C=CC=[NH+]2)O1)C(=O)N(C)Cc1ccccc1 ZINC000012567998 1205829177 /nfs/dbraw/zinc/82/91/77/1205829177.db2.gz WZOVPDLESYORAU-VCHHOEMESA-N 1 0 342.424 2.467 50 0 EEAARO CC[NH+](CC)[C@@H]1CCc2c(c(C(=O)NC)nn2Cc2ccccc2)C1 ZINC000014732703 1225929175 /nfs/dbraw/zinc/92/91/75/1225929175.db2.gz HMRYGUWVACZTTG-MRXNPFEDSA-N 1 0 340.471 2.490 50 0 EEAARO CC(C)(C)c1ccc(C[NH+]2CCN(c3cc(N)nc(N)n3)CC2)cc1 ZINC000065532503 1296691610 /nfs/dbraw/zinc/69/16/10/1296691610.db2.gz UNHNPAHHDYWIKW-UHFFFAOYSA-N 1 0 340.475 2.261 50 0 EEAARO COc1ccc(CN(CC(C)C)C(=O)CN2CCC[N@H+](C)CC2)cc1 ZINC000065470484 1369117497 /nfs/dbraw/zinc/11/74/97/1369117497.db2.gz HFEDLMUIHLVMLN-UHFFFAOYSA-N 1 0 347.503 2.317 50 0 EEAARO Cc1ccccc1-c1ncc(C[N@@H+]2CC[C@@]3(C2)CNC(=O)CO3)s1 ZINC001772804522 1410367851 /nfs/dbraw/zinc/36/78/51/1410367851.db2.gz AFTTWZSCPLJNLN-SFHVURJKSA-N 1 0 343.452 2.209 50 0 EEAARO Cn1ccc(C2CCN(C(=O)[C@@H]([NH3+])CC3CCCCC3)CC2)cc1=O ZINC001772805571 1410369395 /nfs/dbraw/zinc/36/93/95/1410369395.db2.gz PAHQJXDNSODYEO-SFHVURJKSA-N 1 0 345.487 2.389 50 0 EEAARO O=C(NCCC1=CCCCC1)c1cn(CC[NH+]2CCCCC2)nn1 ZINC000011815209 798540579 /nfs/dbraw/zinc/54/05/79/798540579.db2.gz GWRSEQAGUUIQKT-UHFFFAOYSA-N 1 0 331.464 2.384 50 0 EEAARO CC(C)c1nccn1CCCNC(=O)C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000827812443 800514805 /nfs/dbraw/zinc/51/48/05/800514805.db2.gz 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332.400 2.156 50 0 EEAARO C[N@@H+]1CCCC[C@H]1C(=O)N1CCCN(c2ncccc2Cl)CC1 ZINC001772813301 1410371644 /nfs/dbraw/zinc/37/16/44/1410371644.db2.gz WQGPFOOCMFOVTO-HNNXBMFYSA-N 1 0 336.867 2.258 50 0 EEAARO Cc1[nH+]c([C@@H]2CC(=O)NCc3nc4ccccn4c32)c2ccccn12 ZINC000199336879 783016932 /nfs/dbraw/zinc/01/69/32/783016932.db2.gz BGZMMWMLVHDIAG-ZDUSSCGKSA-N 1 0 331.379 2.442 50 0 EEAARO CSc1ncc(CN2CC[N@H+](CC=C(C)C)[C@H](CCO)C2)cn1 ZINC000036385577 794512080 /nfs/dbraw/zinc/51/20/80/794512080.db2.gz LISPJOUHPHFRAV-MRXNPFEDSA-N 1 0 336.505 2.033 50 0 EEAARO Cc1ccoc1C(=O)NCC1CC[NH+](CCc2nccn2C)CC1 ZINC000952965787 796086455 /nfs/dbraw/zinc/08/64/55/796086455.db2.gz RXIMKUBZGQTECK-UHFFFAOYSA-N 1 0 330.432 2.006 50 0 EEAARO COCC(=O)Nc1ccc(NC(=O)[C@H]2CC[N@@H+](C(C)C)C2)cc1C ZINC000952972442 796112309 /nfs/dbraw/zinc/11/23/09/796112309.db2.gz FMQPYIYIPGAUFT-AWEZNQCLSA-N 1 0 333.432 2.249 50 0 EEAARO Cn1cc(CCC(=O)Nc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000823764968 798764005 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/nfs/dbraw/zinc/08/33/20/213083320.db2.gz HKELLIGKFUTMLO-UHFFFAOYSA-N 1 0 347.278 2.130 50 0 EEAARO COc1ccccc1[C@H]1C[NH2+]C[C@H]1C(=O)NCc1ccc(F)cc1 ZINC000036039208 213058300 /nfs/dbraw/zinc/05/83/00/213058300.db2.gz TUPRQXFQSIASRE-IAGOWNOFSA-N 1 0 328.387 2.454 50 0 EEAARO CCS(=O)(=O)N1CC[C@]2(C1)CCC[N@H+](CCc1ccccc1)C2 ZINC000072138772 216025995 /nfs/dbraw/zinc/02/59/95/216025995.db2.gz COPQAJFBOIFCTF-GOSISDBHSA-N 1 0 336.501 2.367 50 0 EEAARO CN(C)c1nc(-c2cc(O)cc(CC[C@H]3CCCC[NH2+]3)c2)nn1C ZINC000072140131 216026094 /nfs/dbraw/zinc/02/60/94/216026094.db2.gz NVSBDPNFWOVJRW-OAHLLOKOSA-N 1 0 329.448 2.328 50 0 EEAARO COc1cccc(C[NH+]2CCC3(C[C@@H](C(=O)[O-])[N@H+](C)C3)CC2)c1OC ZINC000072163372 216051606 /nfs/dbraw/zinc/05/16/06/216051606.db2.gz KRWRBGDPPPWQGW-HNNXBMFYSA-N 1 0 348.443 2.075 50 0 EEAARO C[NH+]1CCN(c2ccc(CNCc3c(F)cccc3F)cn2)CC1 ZINC000030660641 212705200 /nfs/dbraw/zinc/70/52/00/212705200.db2.gz FTVPVJHKYGXAJU-UHFFFAOYSA-N 1 0 332.398 2.401 50 0 EEAARO COc1cccc(C[N@@H+]2CCC[C@@H](c3nnc(CN(C)C)n3C)C2)c1 ZINC000072422947 216211930 /nfs/dbraw/zinc/21/19/30/216211930.db2.gz WUKWRKASILULMG-MRXNPFEDSA-N 1 0 343.475 2.265 50 0 EEAARO Cc1cccc(=O)n1CCC(=O)N1CCC([C@@H](C)[NH+]2CCCC2)CC1 ZINC000072476685 216254313 /nfs/dbraw/zinc/25/43/13/216254313.db2.gz AUERDKPNDKCKBO-QGZVFWFLSA-N 1 0 345.487 2.270 50 0 EEAARO Cc1ncc2c(c1CNC(=O)[C@H]1CCc3ccccc3O1)CC[NH2+]C2 ZINC000072479652 216258629 /nfs/dbraw/zinc/25/86/29/216258629.db2.gz LNQJYSVBFKQGRT-LJQANCHMSA-N 1 0 337.423 2.046 50 0 EEAARO CC(C)CNC(=O)CC[C@H]1CN(Cc2cccnc2)CC[C@H]1[NH+](C)C ZINC000023340560 212369331 /nfs/dbraw/zinc/36/93/31/212369331.db2.gz HFKQQKYPVALTJU-RBUKOAKNSA-N 1 0 346.519 2.386 50 0 EEAARO Cc1cccc(C[NH+]2CCN(Cn3ncc4ccccc4c3=O)CC2)c1 ZINC000023251345 212365225 /nfs/dbraw/zinc/36/52/25/212365225.db2.gz YHLRITCRGIYLKM-UHFFFAOYSA-N 1 0 348.450 2.480 50 0 EEAARO COc1cc(OC)c(CN(C)CC[NH+](C)C)cc1Br ZINC000022455100 212298377 /nfs/dbraw/zinc/29/83/77/212298377.db2.gz DNEOSZNJKHFGOR-UHFFFAOYSA-N 1 0 331.254 2.460 50 0 EEAARO CCCOc1ccccc1[C@H](C)NC(=O)CN(C)C1CC[NH2+]CC1 ZINC000215221918 241113716 /nfs/dbraw/zinc/11/37/16/241113716.db2.gz LYOGWWIMOYZQQE-HNNXBMFYSA-N 1 0 333.476 2.336 50 0 EEAARO C[NH+](C)CCN(CCO)C(=O)c1cccc(-c2ccccc2O)c1 ZINC000426409298 241278200 /nfs/dbraw/zinc/27/82/00/241278200.db2.gz JYDMWSDKIACPRA-UHFFFAOYSA-N 1 0 328.412 2.055 50 0 EEAARO CC[NH+](CC)CCNC(=O)COCc1cc(-c2cccs2)on1 ZINC000020925880 212188481 /nfs/dbraw/zinc/18/84/81/212188481.db2.gz KFLVUBVPTCTANR-UHFFFAOYSA-N 1 0 337.445 2.378 50 0 EEAARO C[N@H+](CCCn1cccn1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000244574762 243042222 /nfs/dbraw/zinc/04/22/22/243042222.db2.gz CQYBNRMCXDIENY-HXUWFJFHSA-N 1 0 342.487 2.496 50 0 EEAARO CCCn1c(CN2CC[NH+](C)CC2)nc2cc(NC(C)=O)ccc21 ZINC000020677482 212161542 /nfs/dbraw/zinc/16/15/42/212161542.db2.gz WNNYCLUMSDMGFY-UHFFFAOYSA-N 1 0 329.448 2.152 50 0 EEAARO CC[NH+]1CCN(CC(=O)Nc2nc(-c3ccccc3)cs2)CC1 ZINC000020661169 212160398 /nfs/dbraw/zinc/16/03/98/212160398.db2.gz XPGXOZRRMZJSEU-UHFFFAOYSA-N 1 0 330.457 2.386 50 0 EEAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCSc2c[nH]nn2)c(F)c1 ZINC000020206739 212112097 /nfs/dbraw/zinc/11/20/97/212112097.db2.gz IQKSFCFANNQARF-UHFFFAOYSA-N 1 0 348.407 2.224 50 0 EEAARO CCn1nc(C(C)C)cc1C(=O)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077503866 216920973 /nfs/dbraw/zinc/92/09/73/216920973.db2.gz UDZCVRRIWZVAFM-LJQANCHMSA-N 1 0 348.491 2.089 50 0 EEAARO C[NH+]1CCC(N2CCC[C@H](NC(=O)CSc3ccccc3)C2)CC1 ZINC000019335427 212017643 /nfs/dbraw/zinc/01/76/43/212017643.db2.gz MBNDQRDEYGVZPV-INIZCTEOSA-N 1 0 347.528 2.454 50 0 EEAARO COC(=O)[C@H]1C[C@@H]([N@@H+]2CCC[C@H](c3nc4ccccc4o3)C2)[C@@H](O)C1 ZINC000110653733 220052489 /nfs/dbraw/zinc/05/24/89/220052489.db2.gz ZINDOYVMJUWDEC-UGQVUOCMSA-N 1 0 344.411 2.320 50 0 EEAARO CC[NH+](CC)[C@@H]1CCN(c2nncc(-c3ccc(OC)cc3)n2)C1 ZINC000012705170 211435524 /nfs/dbraw/zinc/43/55/24/211435524.db2.gz HBEWKOPGLKOPCB-OAHLLOKOSA-N 1 0 327.432 2.468 50 0 EEAARO COC(=O)CCC(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000012373417 211359174 /nfs/dbraw/zinc/35/91/74/211359174.db2.gz JZKKHUGTHRQJSP-GOSISDBHSA-N 1 0 346.471 2.353 50 0 EEAARO O=C(NCC[NH+]1CCCCC1)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000012409941 211372332 /nfs/dbraw/zinc/37/23/32/211372332.db2.gz UPDRNMYTSCIJFI-UHFFFAOYSA-N 1 0 339.399 2.434 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nc(-c2cccc3[nH]ccc32)no1 ZINC000012388856 211364359 /nfs/dbraw/zinc/36/43/59/211364359.db2.gz KQOVNPOSYRHJNZ-GFCCVEGCSA-N 1 0 339.399 2.432 50 0 EEAARO Cn1cc(CCC(=O)N[C@@H]2CCC[N@H+](CCc3ccccc3)C2)cn1 ZINC000012297713 211335451 /nfs/dbraw/zinc/33/54/51/211335451.db2.gz HJNUCGKNGVKDBX-LJQANCHMSA-N 1 0 340.471 2.176 50 0 EEAARO O=C(c1cn([C@@H]2CCC[N@H+](Cc3ccoc3)C2)nn1)N1CCCCC1 ZINC000012079791 211287568 /nfs/dbraw/zinc/28/75/68/211287568.db2.gz FBGYNAQMKPANOQ-MRXNPFEDSA-N 1 0 343.431 2.334 50 0 EEAARO O=C(NC1CCCC1)[C@@H]1CCC[N@@H+](C2CCN(C(=O)C3CC3)CC2)C1 ZINC000011933344 211270201 /nfs/dbraw/zinc/27/02/01/211270201.db2.gz XVSVWBLRDGODKI-MRXNPFEDSA-N 1 0 347.503 2.158 50 0 EEAARO O=C(c1cn(CCC2CCCCC2)nn1)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000011873789 211263698 /nfs/dbraw/zinc/26/36/98/211263698.db2.gz PDFOVVSMXSVWNK-MRXNPFEDSA-N 1 0 331.464 2.169 50 0 EEAARO COc1ccc(C)cc1S(=O)(=O)N1C[C@@H](C(C)C)[C@H]([NH+](C)C)C1 ZINC000091619859 218032437 /nfs/dbraw/zinc/03/24/37/218032437.db2.gz MWNQPRKTJISVEG-LSDHHAIUSA-N 1 0 340.489 2.210 50 0 EEAARO CCc1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cs1 ZINC000091535532 218019644 /nfs/dbraw/zinc/01/96/44/218019644.db2.gz BXESONVKTMHZFJ-HZPDHXFCSA-N 1 0 336.501 2.477 50 0 EEAARO CC[C@H](CNC(=O)c1cnc(-c2ccc(C)cc2)[nH]c1=O)[N@H+](C)CC ZINC000091604424 218031356 /nfs/dbraw/zinc/03/13/56/218031356.db2.gz OKEMLOHETHISIF-OAHLLOKOSA-N 1 0 342.443 2.205 50 0 EEAARO Cn1cc(C[NH+]2CCC(C(N)=O)CC2)c(-c2cccc(Cl)c2)n1 ZINC000011707236 211240317 /nfs/dbraw/zinc/24/03/17/211240317.db2.gz WLUWCDJOIKJJID-UHFFFAOYSA-N 1 0 332.835 2.438 50 0 EEAARO Nc1cc(C(=O)N[C@@H]2CCC[N@H+](CCCc3ccccc3)C2)ccn1 ZINC000011753797 211244005 /nfs/dbraw/zinc/24/40/05/211244005.db2.gz RPXSRQKMGUBMNJ-GOSISDBHSA-N 1 0 338.455 2.491 50 0 EEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000091745520 218056915 /nfs/dbraw/zinc/05/69/15/218056915.db2.gz CRRPUZLRVSBDDD-LSDHHAIUSA-N 1 0 330.432 2.212 50 0 EEAARO Cc1ncc2c(c1CNC(=O)COc1ccc(F)cc1F)CC[NH2+]C2 ZINC000091756863 218060871 /nfs/dbraw/zinc/06/08/71/218060871.db2.gz ASSCHBABPKBQDJ-UHFFFAOYSA-N 1 0 347.365 2.009 50 0 EEAARO CN(C)C(=O)c1cccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000095352169 218285821 /nfs/dbraw/zinc/28/58/21/218285821.db2.gz MASSIRGRJLRDTM-QGZVFWFLSA-N 1 0 331.460 2.269 50 0 EEAARO O=C(NCc1nnc2ccccn21)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095366234 218298751 /nfs/dbraw/zinc/29/87/51/218298751.db2.gz VQESDJPSWBALFX-MRXNPFEDSA-N 1 0 335.411 2.126 50 0 EEAARO CS(=O)(=O)N1C[C@@H]2CC[C@H](C1)[N@H+](Cc1ccnc3ccccc13)C2 ZINC000095366459 218298864 /nfs/dbraw/zinc/29/88/64/218298864.db2.gz OFEDVRSACTZHIO-GDBMZVCRSA-N 1 0 345.468 2.091 50 0 EEAARO CC(=O)c1cnc(NCc2cc3n(n2)CC[N@@H+](CC(C)C)C3)nc1C ZINC000095382569 218314792 /nfs/dbraw/zinc/31/47/92/218314792.db2.gz QTJVSSHXMRKCJT-UHFFFAOYSA-N 1 0 342.447 2.268 50 0 EEAARO COc1ccc(OCC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cc1 ZINC000008881371 211014893 /nfs/dbraw/zinc/01/48/93/211014893.db2.gz JKQAVWXVFFZGTQ-QGZVFWFLSA-N 1 0 342.439 2.363 50 0 EEAARO O=C(NCCSc1ccccn1)[C@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097402536 219021635 /nfs/dbraw/zinc/02/16/35/219021635.db2.gz SIYYFBHKMZXCSM-HNNXBMFYSA-N 1 0 349.500 2.181 50 0 EEAARO OC1(Cn2ccnc2)CC[NH+](C[C@]2(c3ccccc3)CCOC2)CC1 ZINC000215358834 285241646 /nfs/dbraw/zinc/24/16/46/285241646.db2.gz MRDKZZUIQOENFW-LJQANCHMSA-N 1 0 341.455 2.068 50 0 EEAARO C[NH+](C)C[C@H]1CCN(C(=O)NCCCc2nc3ccccc3[nH]2)C1 ZINC000119506326 221335879 /nfs/dbraw/zinc/33/58/79/221335879.db2.gz XBVRMWFLFVEGTO-CQSZACIVSA-N 1 0 329.448 2.089 50 0 EEAARO COc1cccc(C(=O)NCc2ccncc2C)c1OCCC[NH3+] ZINC000299776360 258086411 /nfs/dbraw/zinc/08/64/11/258086411.db2.gz KAKZJXDDLSZFAU-UHFFFAOYSA-N 1 0 329.400 2.056 50 0 EEAARO Cc1noc([C@H]2CCN(C(=O)CCC[NH+]3Cc4ccccc4C3)C2)n1 ZINC000299756790 258074636 /nfs/dbraw/zinc/07/46/36/258074636.db2.gz HFFSRVNNYFLHNX-KRWDZBQOSA-N 1 0 340.427 2.490 50 0 EEAARO Cc1ccc(-c2cc(O)c3c(c2)CN(C(=O)[C@@H](C)[NH3+])CCO3)s1 ZINC000067695923 274731575 /nfs/dbraw/zinc/73/15/75/274731575.db2.gz HGBQCKIHEUXDQT-LLVKDONJSA-N 1 0 332.425 2.497 50 0 EEAARO C[N@@H+]1CCN2CCN(c3ncc(C(F)(F)F)cc3Cl)C[C@@H]2C1 ZINC000065525971 277115834 /nfs/dbraw/zinc/11/58/34/277115834.db2.gz NNKWDLDWCYEFHZ-NSHDSACASA-N 1 0 334.773 2.190 50 0 EEAARO CC(C)C[N@@H+]1CCCN(C(=O)c2ccccc2N2CCOCC2)CC1 ZINC000220369408 277389909 /nfs/dbraw/zinc/38/99/09/277389909.db2.gz UTCLEXPHNHSJOM-UHFFFAOYSA-N 1 0 345.487 2.327 50 0 EEAARO COCCCN(Cc1ccc(OC)cc1)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000534649384 468271349 /nfs/dbraw/zinc/27/13/49/468271349.db2.gz MEBVYYAXYTWHPV-QGZVFWFLSA-N 1 0 349.475 2.338 50 0 EEAARO CC[C@@H](CNC(=O)N1CCC(OCc2cccnc2)CC1)[NH+](C)C ZINC000534672466 468273902 /nfs/dbraw/zinc/27/39/02/468273902.db2.gz BMFFKJHOVMFKOW-INIZCTEOSA-N 1 0 334.464 2.112 50 0 EEAARO [NH2+]=C(COc1ccccc1Cl)NNS(=O)(=O)c1ccccc1 ZINC000003128283 462611099 /nfs/dbraw/zinc/61/10/99/462611099.db2.gz INLWSWBFWOQHMZ-UHFFFAOYSA-N 1 0 339.804 2.179 50 0 EEAARO O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000062371951 462615495 /nfs/dbraw/zinc/61/54/95/462615495.db2.gz HTVLCVOMVMONHV-RBUKOAKNSA-N 1 0 328.456 2.361 50 0 EEAARO CCOC(=O)c1sc2nc(C)nc(N3CC[NH+](C)CC3)c2c1C ZINC000006510322 462688334 /nfs/dbraw/zinc/68/83/34/462688334.db2.gz FEOCXMGGRILGIF-UHFFFAOYSA-N 1 0 334.445 2.237 50 0 EEAARO Cn1c(=O)c2sc3c(c2n(CC[NH+]2CCCCC2)c1=O)CCCC3 ZINC000006760771 462704867 /nfs/dbraw/zinc/70/48/67/462704867.db2.gz SHCFAPHIFDOACJ-UHFFFAOYSA-N 1 0 347.484 2.126 50 0 EEAARO CC[NH+](CC)CCCNC(=O)CCC(=O)N1CCOc2ccccc21 ZINC000006798404 462705479 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CCN(C[C@H]1CC[N@H+](C)C1)C(=O)Nc1cccc(CCC(=O)NC)c1 ZINC000426563137 241308027 /nfs/dbraw/zinc/30/80/27/241308027.db2.gz KRIBZAZDLFBAAG-INIZCTEOSA-N 1 0 346.475 2.171 50 0 EEAARO C[C@H](O)CSc1nnc(C[NH3+])n1-c1cccc(C(F)(F)F)c1 ZINC000426552008 241308955 /nfs/dbraw/zinc/30/89/55/241308955.db2.gz PYFMXGCNQMBOAN-QMMMGPOBSA-N 1 0 332.351 2.218 50 0 EEAARO [NH3+]CCc1nnc(SCC[C@@H]2CCOC2)n1-c1ccc(F)cc1 ZINC000426566889 241310495 /nfs/dbraw/zinc/31/04/95/241310495.db2.gz LTZNBECSTMKAOT-LBPRGKRZSA-N 1 0 336.436 2.426 50 0 EEAARO O=C(c1ccc2[nH]ccc2c1)N1CC[N@H+](CC2CC2)[C@H](CCO)C1 ZINC000219208498 241369617 /nfs/dbraw/zinc/36/96/17/241369617.db2.gz DVAJXAKZACIGRC-QGZVFWFLSA-N 1 0 327.428 2.087 50 0 EEAARO Cc1cc(C)nc(CN(C)C(=O)NCCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000426746061 241334814 /nfs/dbraw/zinc/33/48/14/241334814.db2.gz GRXHPGKMMYOOCD-GOSISDBHSA-N 1 0 348.491 2.077 50 0 EEAARO Cc1ccc2c(c1)C[C@H](C(=O)N1CCN(c3cc[nH+]c(C)c3)CC1)N2 ZINC000220572473 241446700 /nfs/dbraw/zinc/44/67/00/241446700.db2.gz MCBVGIDVNMVTGK-LJQANCHMSA-N 1 0 336.439 2.384 50 0 EEAARO Cc1ccc(NC(=O)CC[NH+]2CCC(N3CCOCC3)CC2)cc1F ZINC000244774236 243079199 /nfs/dbraw/zinc/07/91/99/243079199.db2.gz PQDVFNJMOQULFM-UHFFFAOYSA-N 1 0 349.450 2.259 50 0 EEAARO CCCc1ccc(OCCOCCN2CC[NH+](C)CC2)c(OC)c1 ZINC000020653622 212160198 /nfs/dbraw/zinc/16/01/98/212160198.db2.gz RQICYLHYYGQERJ-UHFFFAOYSA-N 1 0 336.476 2.291 50 0 EEAARO CC(C)C[N@@H+]1CCN(Cc2ccc3nsnc3c2)C[C@@H]1CCO ZINC000020538675 212145292 /nfs/dbraw/zinc/14/52/92/212145292.db2.gz NQMSEMWKMFMNBL-HNNXBMFYSA-N 1 0 334.489 2.216 50 0 EEAARO C[C@@H]1C[N@@H+](CCCCNC(=O)[C@H]2COc3ccccc32)C[C@H](C)O1 ZINC000110674633 220054314 /nfs/dbraw/zinc/05/43/14/220054314.db2.gz DZILEJXSXNEGTM-UXLLHSPISA-N 1 0 332.444 2.168 50 0 EEAARO CC(C)(C)OC(=O)N1CCN(C(=O)OCc2ccccc2)[C@H](C[NH3+])C1 ZINC000012506827 211395377 /nfs/dbraw/zinc/39/53/77/211395377.db2.gz UPAFWAIJOIWWEZ-OAHLLOKOSA-N 1 0 349.431 2.203 50 0 EEAARO CC(=O)N1CCC(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)CC1 ZINC000012458767 211388145 /nfs/dbraw/zinc/38/81/45/211388145.db2.gz SFKIORIDPWGQOH-LJQANCHMSA-N 1 0 349.519 2.406 50 0 EEAARO COc1cc(-c2n[nH]cc2C[N@H+](C)[C@H]2CCOC2)cc(OC)c1OC ZINC000012439022 211381730 /nfs/dbraw/zinc/38/17/30/211381730.db2.gz HLXGNMHLRYLXFT-AWEZNQCLSA-N 1 0 347.415 2.323 50 0 EEAARO O=C1N(Cc2ccc(F)cc2)CCC[C@@]1(O)C[NH2+]Cc1ccccc1 ZINC000012385147 211363001 /nfs/dbraw/zinc/36/30/01/211363001.db2.gz JKGAYVPVZDQGDK-HXUWFJFHSA-N 1 0 342.414 2.469 50 0 EEAARO C[C@@H](Oc1ccc(Br)cc1)C(=O)NC1CC[NH+](C)CC1 ZINC000012380604 211362161 /nfs/dbraw/zinc/36/21/61/211362161.db2.gz IWXMUXUIRGTJHF-LLVKDONJSA-N 1 0 341.249 2.427 50 0 EEAARO Cc1ccn(CC(=O)N2CC[C@@H](C3CC[NH+](CC(C)C)CC3)C2)n1 ZINC000012227459 211325443 /nfs/dbraw/zinc/32/54/43/211325443.db2.gz AKFFNBZNQAYYIB-GOSISDBHSA-N 1 0 332.492 2.408 50 0 EEAARO CN(C)c1cccc(C(=O)N[C@H]2CCC[N@@H+](C3CCN(C)CC3)C2)c1 ZINC000012305774 211338817 /nfs/dbraw/zinc/33/88/17/211338817.db2.gz OZTPAOBDCZYZOM-KRWDZBQOSA-N 1 0 344.503 2.041 50 0 EEAARO COCCNC(=O)CCC1CC[NH+](Cc2cc(C(C)C)n[nH]2)CC1 ZINC000011935287 211272772 /nfs/dbraw/zinc/27/27/72/211272772.db2.gz OMZDUKBFLJDESV-UHFFFAOYSA-N 1 0 336.480 2.288 50 0 EEAARO Cn1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccccc3s2)n1 ZINC000011695502 211238947 /nfs/dbraw/zinc/23/89/47/211238947.db2.gz HXBVPVJJKJMVIQ-UHFFFAOYSA-N 1 0 329.429 2.238 50 0 EEAARO CC[N@H+](C)C[C@@H]1CN(Cc2cnn(-c3cccc(F)c3)c2)C[C@@H]1CO ZINC000091779442 218065454 /nfs/dbraw/zinc/06/54/54/218065454.db2.gz REYRBEAYXKPWAH-IAGOWNOFSA-N 1 0 346.450 2.003 50 0 EEAARO C[C@H](Cc1cccnc1)n1ccnc1-c1cn(C2CC[NH2+]CC2)nn1 ZINC000091847538 218076181 /nfs/dbraw/zinc/07/61/81/218076181.db2.gz GASWBHWRIQZIIE-CQSZACIVSA-N 1 0 337.431 2.265 50 0 EEAARO COCC(=O)N[C@H]1C[N@H+](C/C=C/c2ccccc2OC)C[C@@H]1C1CC1 ZINC000091859517 218078866 /nfs/dbraw/zinc/07/88/66/218078866.db2.gz AHSWRDXBXDQGGO-MJMQLPLLSA-N 1 0 344.455 2.181 50 0 EEAARO CCOCCOc1cccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3C)C2)c1 ZINC000092077968 218115905 /nfs/dbraw/zinc/11/59/05/218115905.db2.gz NLRMGJCYYLMELY-NVXWUHKLSA-N 1 0 332.444 2.268 50 0 EEAARO CC(C)[NH+]1CCC(CC(=O)N2CCN(CCn3cccc3)CC2)CC1 ZINC000095356447 218290448 /nfs/dbraw/zinc/29/04/48/218290448.db2.gz ACUIHEZIISIYLY-UHFFFAOYSA-N 1 0 346.519 2.143 50 0 EEAARO O=C(CCC[NH+]1CCCCC1)NCc1csc(-c2ncccn2)n1 ZINC000095364133 218297108 /nfs/dbraw/zinc/29/71/08/218297108.db2.gz RTABKKAZCVQDLK-UHFFFAOYSA-N 1 0 345.472 2.482 50 0 EEAARO Cc1ccc([C@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)N(C)C)cc1 ZINC000095378056 218311484 /nfs/dbraw/zinc/31/14/84/218311484.db2.gz MKQVPXRHGVPJFB-LJQANCHMSA-N 1 0 338.455 2.342 50 0 EEAARO Cc1cccc2cc(C(=O)NCC3([NH+](C)C)CCOCC3)n(C)c21 ZINC000095388622 218320851 /nfs/dbraw/zinc/32/08/51/218320851.db2.gz HSBIYQAOQWVNRI-UHFFFAOYSA-N 1 0 329.444 2.327 50 0 EEAARO Cc1noc(C)c1S(=O)(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000004968813 210343922 /nfs/dbraw/zinc/34/39/22/210343922.db2.gz NYAIPINVQKEVNG-UHFFFAOYSA-N 1 0 349.456 2.234 50 0 EEAARO Cc1ccc(C)c(-c2n[nH]cc2CN2CCN([C@H]3CC[NH2+]C3)CC2)c1 ZINC000097243893 219004257 /nfs/dbraw/zinc/00/42/57/219004257.db2.gz DICINTIOMJWEMF-SFHVURJKSA-N 1 0 339.487 2.173 50 0 EEAARO CO[C@]12CC[N@H+](Cc3ccccc3Cn3cccn3)[C@H]1C[C@@H](O)CC2 ZINC000299776665 258087054 /nfs/dbraw/zinc/08/70/54/258087054.db2.gz KEBDGASJXYOGLZ-SLFFLAALSA-N 1 0 341.455 2.436 50 0 EEAARO CO[C@]12CC[N@H+](CCc3cn[nH]c3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000299780532 258089516 /nfs/dbraw/zinc/08/95/16/258089516.db2.gz AKQSSBVTWORBGT-JENIJYKNSA-N 1 0 342.443 2.438 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cc(=O)c4ccccc4[nH]3)[C@H]1C[C@@H](O)CC2 ZINC000299781245 258089926 /nfs/dbraw/zinc/08/99/26/258089926.db2.gz DLPXGYJJWDTJAL-ZOCIIQOWSA-N 1 0 328.412 2.445 50 0 EEAARO CO[C@@H]1CC[C@@]2(OC)CC[N@H+](Cc3ccc(OCCO)cc3)[C@H]2C1 ZINC000299781618 258089957 /nfs/dbraw/zinc/08/99/57/258089957.db2.gz RTKXXWMBGZGFTP-CEXWTWQISA-N 1 0 335.444 2.216 50 0 EEAARO O=C(CN1CCOCC1)NC[C@@H](c1ccccc1)[NH+]1CCCCCC1 ZINC000299795868 258100231 /nfs/dbraw/zinc/10/02/31/258100231.db2.gz LFYLASZVLKXKAM-IBGZPJMESA-N 1 0 345.487 2.052 50 0 EEAARO CC(C)CN1C(=O)N(C2Cc3ccccc3C2)C(=O)C12CC[NH2+]CC2 ZINC000299797159 258100862 /nfs/dbraw/zinc/10/08/62/258100862.db2.gz MPRNXVNTUJWHTJ-UHFFFAOYSA-N 1 0 341.455 2.196 50 0 EEAARO CO[C@H]1C[N@@H+](C(C)C)C[C@@H]1NC(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000299802318 258105705 /nfs/dbraw/zinc/10/57/05/258105705.db2.gz YVHAGFDVEPWQCL-GJZGRUSLSA-N 1 0 344.377 2.472 50 0 EEAARO CCCC(=O)N1CCN(c2cc(N3CCCCC3)[nH+]c(C)n2)CC1 ZINC000021793698 135725408 /nfs/dbraw/zinc/72/54/08/135725408.db2.gz QSUXGJSOKAGLCJ-UHFFFAOYSA-N 1 0 331.464 2.224 50 0 EEAARO COc1ccc2c(c1)OC[C@]1(CO)C[N@@H+](Cc3c(C)noc3C)C[C@H]21 ZINC000095520627 274130923 /nfs/dbraw/zinc/13/09/23/274130923.db2.gz RYIQDLGDJZAXDA-IEBWSBKVSA-N 1 0 344.411 2.271 50 0 EEAARO C[NH+](C)Cc1ccc([C@@H]2CCCCN2C(=O)CCn2cnnc2)cc1 ZINC000082107943 289224710 /nfs/dbraw/zinc/22/47/10/289224710.db2.gz BGCGYMBMISBXDR-SFHVURJKSA-N 1 0 341.459 2.484 50 0 EEAARO CCOC(=O)C1CC[NH+](CCC(=O)Nc2ccccc2OC)CC1 ZINC000000176557 462545205 /nfs/dbraw/zinc/54/52/05/462545205.db2.gz CKLVBCJJLIBJSL-UHFFFAOYSA-N 1 0 334.416 2.299 50 0 EEAARO COc1cc2c(c(OC)c1OC)-c1ccc(N)c(=O)cc1[C@@H]([NH3+])CC2 ZINC000000265532 462552485 /nfs/dbraw/zinc/55/24/85/462552485.db2.gz VLEZHRZYWFPNJF-ZDUSSCGKSA-N 1 0 342.395 2.268 50 0 biogenic EEAARO COc1ccc2[nH]c3c(ncn(CC[NH+]4CCCCC4)c3=O)c2c1 ZINC000000526062 462568827 /nfs/dbraw/zinc/56/88/27/462568827.db2.gz HQOGRRRMIBBLBD-UHFFFAOYSA-N 1 0 326.400 2.372 50 0 biogenic EEAARO Cn1nc(C(F)(F)F)c(Cl)c1C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000002766779 462602143 /nfs/dbraw/zinc/60/21/43/462602143.db2.gz QKWFQZMXEWXJGX-MRVPVSSYSA-N 1 0 336.745 2.013 50 0 EEAARO C[NH+](C)CCNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000003274613 462614787 /nfs/dbraw/zinc/61/47/87/462614787.db2.gz HEZFKNWZJIWDKE-UHFFFAOYSA-N 1 0 335.411 2.226 50 0 EEAARO CC(C)Oc1cncc(N2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)n1 ZINC000128394615 462635333 /nfs/dbraw/zinc/63/53/33/462635333.db2.gz LEWVBNFAHUEYBP-SJPCQFCGSA-N 1 0 345.491 2.011 50 0 EEAARO CC(=O)NCC[NH2+]Cc1ccc(OC[C@H](O)c2ccccc2)cc1 ZINC000006784916 462704719 /nfs/dbraw/zinc/70/47/19/462704719.db2.gz ZHYYQKOPDZTOCV-IBGZPJMESA-N 1 0 328.412 2.025 50 0 EEAARO Cc1ccccc1[C@@H](CNC(=O)c1cnn2ccn(C)c12)[NH+](C)C ZINC000065385334 462761691 /nfs/dbraw/zinc/76/16/91/462761691.db2.gz WFQRBFRVCVMWJA-MRXNPFEDSA-N 1 0 325.416 2.014 50 0 EEAARO CCc1noc(CN(CC)c2nc(CC[NH3+])nc3ccccc32)n1 ZINC000065454963 462773302 /nfs/dbraw/zinc/77/33/02/462773302.db2.gz UCOBFOXGOAVWAY-UHFFFAOYSA-N 1 0 326.404 2.103 50 0 EEAARO C[C@@H](Cc1cnccn1)Nc1ncnc2sc3c(c21)CC[NH2+]C3 ZINC000065462273 462774183 /nfs/dbraw/zinc/77/41/83/462774183.db2.gz OJWYLTUKRJMUPV-JTQLQIEISA-N 1 0 326.429 2.170 50 0 EEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3cccc(F)c3)CC2)n1 ZINC000009620310 462805264 /nfs/dbraw/zinc/80/52/64/462805264.db2.gz KFFAMUBFJYIYBO-UHFFFAOYSA-N 1 0 343.406 2.318 50 0 EEAARO CC(C)[C@@H](CO)NC(=O)C1([NH+]2CCCCC2)Cc2ccccc2C1 ZINC000012597818 462860127 /nfs/dbraw/zinc/86/01/27/462860127.db2.gz KNVSZJYENLCRNL-GOSISDBHSA-N 1 0 330.472 2.143 50 0 EEAARO CC[NH+]1CCC(NC(=O)CN(C)Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000012816551 462870920 /nfs/dbraw/zinc/87/09/20/462870920.db2.gz AAEIDFDFTGOWCY-WMLDXEAASA-N 1 0 333.476 2.435 50 0 EEAARO O=C(c1ccnc2ccccc21)N1CCC[C@@](O)(C[NH+]2CCCC2)C1 ZINC000077341804 462971539 /nfs/dbraw/zinc/97/15/39/462971539.db2.gz FHNCBTQBSXHGDW-HXUWFJFHSA-N 1 0 339.439 2.298 50 0 EEAARO CN(C)CC[N@@H+]1CCC[C@]2(CCC(=O)N(CCc3ccccc3)C2)C1 ZINC000077353381 462972174 /nfs/dbraw/zinc/97/21/74/462972174.db2.gz DQIRQXSVQHWRTG-NRFANRHFSA-N 1 0 343.515 2.495 50 0 EEAARO Cc1nc(CC(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)cs1 ZINC000077436361 462983420 /nfs/dbraw/zinc/98/34/20/462983420.db2.gz OUYNDHYYCCEKRC-UHFFFAOYSA-N 1 0 330.457 2.436 50 0 EEAARO COc1ccc(OC2CCN(C(=O)[C@@H]3CC34CC[NH2+]CC4)CC2)cc1 ZINC000077503855 462996147 /nfs/dbraw/zinc/99/61/47/462996147.db2.gz JEFSRZMVXKJASJ-SFHVURJKSA-N 1 0 344.455 2.455 50 0 EEAARO CN(Cc1nc2ccccc2n1C)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000067896157 463065504 /nfs/dbraw/zinc/06/55/04/463065504.db2.gz ZNJJYWQKRZSFAK-QGZVFWFLSA-N 1 0 334.423 2.246 50 0 EEAARO COc1ccc(-c2nnc(C)o2)cc1NC(=O)NCC[NH+]1CCCC1 ZINC000095525008 463103623 /nfs/dbraw/zinc/10/36/23/463103623.db2.gz BSRZHDGJESGADX-UHFFFAOYSA-N 1 0 345.403 2.271 50 0 EEAARO C[N@@H+]1CCCN(C(=O)Nc2cc(Cl)ccc2-n2cncn2)CC1 ZINC000095528389 463105649 /nfs/dbraw/zinc/10/56/49/463105649.db2.gz YOGDOXFQHBHMPI-UHFFFAOYSA-N 1 0 334.811 2.090 50 0 EEAARO C[NH+]1CCC2(CC(=O)N(Cc3cncn3Cc3ccccc3)C2)CC1 ZINC000095531812 463107508 /nfs/dbraw/zinc/10/75/08/463107508.db2.gz YEUJNVAATYQIDG-UHFFFAOYSA-N 1 0 338.455 2.376 50 0 EEAARO Cc1ccccc1-n1nc(CC(N)=O)nc1CC[C@@H]1CCCC[N@H+]1C ZINC000096130666 463183561 /nfs/dbraw/zinc/18/35/61/463183561.db2.gz LFINGNQZUZJFKF-HNNXBMFYSA-N 1 0 341.459 2.020 50 0 EEAARO Cc1ccc(NC(=O)NC2CC[NH+](C3CCN(C)CC3)CC2)cn1 ZINC000122242243 463249054 /nfs/dbraw/zinc/24/90/54/463249054.db2.gz RBHONRKADJECRF-UHFFFAOYSA-N 1 0 331.464 2.070 50 0 EEAARO O=C(NCC[N@@H+]1CCc2ccccc2C1)c1cc(=O)[nH]c2ccccc21 ZINC000030363104 463295774 /nfs/dbraw/zinc/29/57/74/463295774.db2.gz QLSMTWJUOCJDDE-UHFFFAOYSA-N 1 0 347.418 2.316 50 0 EEAARO CNC(=O)[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CN1Cc1ccccc1 ZINC000032518043 463380588 /nfs/dbraw/zinc/38/05/88/463380588.db2.gz OEALDOIXWLSJAZ-MOPGFXCFSA-N 1 0 341.430 2.304 50 0 EEAARO CCC[NH2+]Cc1cc(=O)n2nc(NCc3ccc(CC)cc3)[nH]c2n1 ZINC000101796931 463381386 /nfs/dbraw/zinc/38/13/86/463381386.db2.gz NDBJBEBLLBYVFM-UHFFFAOYSA-N 1 0 340.431 2.092 50 0 EEAARO CC(C)[C@@H]1CN(C(=O)CCC2=NNC(=O)CC2)CCC[N@@H+]1CC1CC1 ZINC000071422171 463415697 /nfs/dbraw/zinc/41/56/97/463415697.db2.gz JMPNDBSASOTKHC-KRWDZBQOSA-N 1 0 348.491 2.002 50 0 EEAARO CC[NH+](CC)CCNS(=O)(=O)c1cc(-c2cc(C)no2)cs1 ZINC000033169521 463415740 /nfs/dbraw/zinc/41/57/40/463415740.db2.gz 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C[N@@H+]1CCC[C@@H](CCNC(=O)Cn2ccnc2-c2ccccc2)C1 ZINC000067842007 215227475 /nfs/dbraw/zinc/22/74/75/215227475.db2.gz OGBPXQMHYZRJLG-INIZCTEOSA-N 1 0 326.444 2.398 50 0 EEAARO CC(C)(C)CN1CCC[C@@](O)(C[NH2+]CCOc2ccccc2)C1=O ZINC000067847471 215229937 /nfs/dbraw/zinc/22/99/37/215229937.db2.gz MJDHYSUIMTXWGN-LJQANCHMSA-N 1 0 334.460 2.055 50 0 EEAARO CSc1ccc2cc(C[N@@H+]3CC[C@@H](N(C)C(C)=O)C3)c(=O)[nH]c2c1 ZINC000067886165 215242930 /nfs/dbraw/zinc/24/29/30/215242930.db2.gz DMEWIEMJPXPFEB-OAHLLOKOSA-N 1 0 345.468 2.303 50 0 EEAARO CC(=O)Nn1c(C)cc(C[N@@H+]2CC[C@@H](CNC(=O)C(C)(C)C)C2)c1C ZINC000067895539 215244194 /nfs/dbraw/zinc/24/41/94/215244194.db2.gz XXXAVHJKUFRREH-INIZCTEOSA-N 1 0 348.491 2.179 50 0 EEAARO Cc1nn(CC(=O)NC[C@H]2CC[N@H+](Cc3ccco3)C2)cc1Cl ZINC000067967882 215262723 /nfs/dbraw/zinc/26/27/23/215262723.db2.gz IEEYPTHNQITXDB-CYBMUJFWSA-N 1 0 336.823 2.076 50 0 EEAARO C/C(=C\C(=O)N1CCN(c2nccn2C)CC1)c1cccc(F)c1 ZINC000104217827 219361874 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O=C1N(C2CCOCC2)CCC[C@@]12CC[N@H+](Cc1nccs1)C2 ZINC000091846839 218076040 /nfs/dbraw/zinc/07/60/40/218076040.db2.gz BMAMZZAGBSHIHM-KRWDZBQOSA-N 1 0 335.473 2.137 50 0 EEAARO Cc1noc(C)c1C[N@@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1cscn1 ZINC000091997348 218100472 /nfs/dbraw/zinc/10/04/72/218100472.db2.gz HUORZYMRNYWVDN-DZGCQCFKSA-N 1 0 346.456 2.371 50 0 EEAARO C[NH+](C)C[C@H]1C[C@H](CO)CN(C(=O)c2ccc(Cl)cc2F)C1 ZINC000092096618 218118211 /nfs/dbraw/zinc/11/82/11/218118211.db2.gz QJEWZOCNLIERSV-NEPJUHHUSA-N 1 0 328.815 2.111 50 0 EEAARO O=C(c1cn2ccsc2n1)N1CCC([NH+]2CCSCC2)CC1 ZINC000092046302 218110860 /nfs/dbraw/zinc/11/08/60/218110860.db2.gz JPDSUMJMCIQNOK-UHFFFAOYSA-N 1 0 336.486 2.049 50 0 EEAARO CCOC(=O)C1=C(O)NC(N2CCCCC2)=[NH+][C@@H]1c1ccc(C)cc1 ZINC000009225294 211054844 /nfs/dbraw/zinc/05/48/44/211054844.db2.gz GLUWBOVYIVTGTK-HZPDHXFCSA-N 1 0 343.427 2.187 50 0 EEAARO CC[N@@H+]1CCC[C@](C)(C(=O)NCc2noc(Cc3ccccc3)n2)C1 ZINC000095354021 218287918 /nfs/dbraw/zinc/28/79/18/218287918.db2.gz 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258088875 /nfs/dbraw/zinc/08/88/75/258088875.db2.gz HBXOKKBJDKOIRS-UHFFFAOYSA-N 1 0 335.879 2.470 50 0 EEAARO CC[C@@H](NC(=O)c1ccc(C)cc1OCCC[NH3+])c1cnn(C)c1 ZINC000299801509 258104896 /nfs/dbraw/zinc/10/48/96/258104896.db2.gz YEIJSUAEOWORAM-MRXNPFEDSA-N 1 0 330.432 2.337 50 0 EEAARO CCCn1ncnc1[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC000299762656 258078986 /nfs/dbraw/zinc/07/89/86/258078986.db2.gz YBKBGQZACMVNSY-ZDUSSCGKSA-N 1 0 331.420 2.368 50 0 EEAARO O[C@H](CCC[NH+]1CCN(c2ncc(F)cn2)CC1)c1ccc(F)cc1 ZINC000003995923 135661753 /nfs/dbraw/zinc/66/17/53/135661753.db2.gz ZXUYYZPJUGQHLQ-QGZVFWFLSA-N 1 0 348.397 2.391 50 0 investigational EEAARO C[NH+]1CCN(c2c3c(nc4nc(-c5ccccc5)nn42)CCCC3)CC1 ZINC000035508913 273899277 /nfs/dbraw/zinc/89/92/77/273899277.db2.gz TVRDHEYIMMWDBZ-UHFFFAOYSA-N 1 0 348.454 2.422 50 0 EEAARO Cc1nc(C)c([C@@H](C)[NH2+]Cc2c(C)nn(C)c2N2CCOCC2)s1 ZINC000058405270 279078945 /nfs/dbraw/zinc/07/89/45/279078945.db2.gz NVYPTXLYJLKQKO-GFCCVEGCSA-N 1 0 349.504 2.489 50 0 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COC(=O)c1c(C)[nH]c(C(=O)NCC2([NH+](C)C)CCCCC2)c1C ZINC000014050712 462908620 /nfs/dbraw/zinc/90/86/20/462908620.db2.gz YFKYWEAGHRLUMM-UHFFFAOYSA-N 1 0 335.448 2.412 50 0 EEAARO CN1CCC([NH2+][C@H]2CC(=O)N(CCc3cccc(Cl)c3)C2)CC1 ZINC000014972329 462937149 /nfs/dbraw/zinc/93/71/49/462937149.db2.gz RJXMZKWFXSVEMS-KRWDZBQOSA-N 1 0 335.879 2.167 50 0 EEAARO COc1cc(C[C@H]2CC(C[NH+]3CCCC3)=NO2)c(OC)c2c1OCO2 ZINC000015081590 462940838 /nfs/dbraw/zinc/94/08/38/462940838.db2.gz QNKJTYMHRFCMOZ-AWEZNQCLSA-N 1 0 348.399 2.216 50 0 EEAARO CCCCn1c2ccc(S(N)(=O)=O)cc2nc1C[NH2+]C(C)(C)C ZINC000015377217 462950606 /nfs/dbraw/zinc/95/06/06/462950606.db2.gz MMFJTOKJHAXGNZ-UHFFFAOYSA-N 1 0 338.477 2.372 50 0 EEAARO CCC[C@@H]([NH3+])C(=O)N1CCC2(CN(CC(CC)CC)C(=O)O2)CC1 ZINC000077425333 462983575 /nfs/dbraw/zinc/98/35/75/462983575.db2.gz SKAMKBOBCLUUFL-OAHLLOKOSA-N 1 0 339.480 2.363 50 0 EEAARO Cn1c(CN2CCOCC2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000077489727 462994895 /nfs/dbraw/zinc/99/48/95/462994895.db2.gz 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463423214 /nfs/dbraw/zinc/42/32/14/463423214.db2.gz IRPBIWIUNGEDBM-KRWDZBQOSA-N 1 0 331.460 2.155 50 0 EEAARO COc1cc(C)ccc1OCC[N@@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000071765442 463423964 /nfs/dbraw/zinc/42/39/64/463423964.db2.gz YZPPHGOFPHRHHK-MRXNPFEDSA-N 1 0 332.444 2.469 50 0 EEAARO O=c1n(Cc2nccs2)nc([C@H]2CCC[NH2+]C2)n1-c1ccccc1 ZINC000072159417 463482329 /nfs/dbraw/zinc/48/23/29/463482329.db2.gz UJZAIXJCTXHTSE-ZDUSSCGKSA-N 1 0 341.440 2.006 50 0 EEAARO C[C@H](Cc1cccc(F)c1)C(=O)N1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000106909511 463549837 /nfs/dbraw/zinc/54/98/37/463549837.db2.gz SNEUCTIEVXYCAG-ZTFGCOKTSA-N 1 0 334.435 2.062 50 0 EEAARO C[N@@H+]1CCN(c2ncccc2F)C[C@]12CCC(=O)N(CC1CC1)CC2 ZINC000108019636 463588404 /nfs/dbraw/zinc/58/84/04/463588404.db2.gz WPTGUFJYZOZGSW-LJQANCHMSA-N 1 0 346.450 2.134 50 0 EEAARO C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H](C)N1CCOC[C@@H]1C ZINC000108115188 463590929 /nfs/dbraw/zinc/59/09/29/463590929.db2.gz IWGLQSYWPHNRDW-KFWWJZLASA-N 1 0 337.439 2.242 50 0 EEAARO CC(=O)N1CC[C@H]([NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2C)[C@@H](C)C1 ZINC000108484680 463606346 /nfs/dbraw/zinc/60/63/46/463606346.db2.gz OLTLPHRJZIECJP-MKSNKDDYSA-N 1 0 345.487 2.407 50 0 EEAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000185793992 463880318 /nfs/dbraw/zinc/88/03/18/463880318.db2.gz FMEDMGKDAUDIBW-OAHLLOKOSA-N 1 0 332.379 2.332 50 0 EEAARO C[N@@H+]1CCCN(Cc2ccccc2OCC(=O)N2CCCCC2)CC1 ZINC000220112096 464113753 /nfs/dbraw/zinc/11/37/53/464113753.db2.gz VXPCUCYXLUHXRR-UHFFFAOYSA-N 1 0 345.487 2.215 50 0 EEAARO COc1ccc(-n2cc([C@H](C)NC(=O)C[NH+]3CCCC3)cn2)cc1 ZINC000220251726 464114834 /nfs/dbraw/zinc/11/48/34/464114834.db2.gz GDFIIOPXYCUPEW-AWEZNQCLSA-N 1 0 328.416 2.154 50 0 EEAARO O=C(CC[NH+]1CCCCC1)N[C@@H]1COCC[C@@H]1OCc1ccccc1 ZINC000220246808 464115864 /nfs/dbraw/zinc/11/58/64/464115864.db2.gz VEJDKUDZJZELSS-MOPGFXCFSA-N 1 0 346.471 2.353 50 0 EEAARO CC(=O)Nc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCCC3)C2)c(O)c1 ZINC000584887834 468954783 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ZINC000055269530 214298263 /nfs/dbraw/zinc/29/82/63/214298263.db2.gz KMDWTCMYGUNJTC-HNNXBMFYSA-N 1 0 347.434 2.032 50 0 EEAARO CCN(C[C@H](O)c1cccc(O)c1)C(=O)CCC1CC[NH+](C)CC1 ZINC000097785017 219057060 /nfs/dbraw/zinc/05/70/60/219057060.db2.gz PMSNEVGVFOGUSZ-SFHVURJKSA-N 1 0 334.460 2.396 50 0 EEAARO Cn1nnnc1SCC[NH2+]Cc1ccc(-c2ccccc2F)o1 ZINC000004488468 210200893 /nfs/dbraw/zinc/20/08/93/210200893.db2.gz LFEMCCMJEUIACN-UHFFFAOYSA-N 1 0 333.392 2.491 50 0 EEAARO O=c1cc(C[N@H+]2CCCC[C@H]2c2cccc(F)c2)nc2[n-]cnn21 ZINC000102567287 219210428 /nfs/dbraw/zinc/21/04/28/219210428.db2.gz ZAPSUBIRQVPXBV-HNNXBMFYSA-N 1 0 327.363 2.284 50 0 EEAARO Nc1cc(C(=O)NC[C@H]2CC[N@H+](C/C=C/c3ccccc3)C2)ccn1 ZINC000067446794 215147490 /nfs/dbraw/zinc/14/74/90/215147490.db2.gz ABTORNCCCNSSMY-BBOMDTFKSA-N 1 0 336.439 2.429 50 0 EEAARO CC(C)CN(Cc1ccco1)C(=O)c1cn(C[C@H]2CCC[NH2+]C2)nn1 ZINC000067458784 215148869 /nfs/dbraw/zinc/14/88/69/215148869.db2.gz AEWXLJBCWPNNPF-HNNXBMFYSA-N 1 0 345.447 2.169 50 0 EEAARO CCn1c(=O)n(Cc2ccc(Cl)s2)nc1[C@H]1CCC[NH2+]C1 ZINC000067586993 215164307 /nfs/dbraw/zinc/16/43/07/215164307.db2.gz IEMFAGDQRDZUNC-JTQLQIEISA-N 1 0 326.853 2.295 50 0 EEAARO CC[NH+](CC)Cc1cnc2c(C(=O)NC(C3CC3)C3CC3)cnn2c1 ZINC000067691849 215187085 /nfs/dbraw/zinc/18/70/85/215187085.db2.gz SYNSOCMJVKCQHP-UHFFFAOYSA-N 1 0 341.459 2.490 50 0 EEAARO O=C(c1cc(-n2cccc2)ccc1O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000067774767 215210385 /nfs/dbraw/zinc/21/03/85/215210385.db2.gz SRGMYCPFGBWJEC-IBGZPJMESA-N 1 0 325.412 2.399 50 0 EEAARO CCn1cc(C[N@@H+]2CC[C@@H](CNC(=O)NC3CCCC3)C2)c(C)n1 ZINC000067803094 215214976 /nfs/dbraw/zinc/21/49/76/215214976.db2.gz UPPVOFATPPBDQD-HNNXBMFYSA-N 1 0 333.480 2.275 50 0 EEAARO O=S(=O)(NC[C@@H]1CC[N@H+](Cc2ccccn2)C1)c1cccc(F)c1 ZINC000067804986 215216541 /nfs/dbraw/zinc/21/65/41/215216541.db2.gz REPZNKRRMLLFHK-AWEZNQCLSA-N 1 0 349.431 2.021 50 0 EEAARO O=C(Cc1ccc(O)cc1)NC[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000067852210 215231804 /nfs/dbraw/zinc/23/18/04/215231804.db2.gz 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EEAARO O=C(Cc1ccsc1)N1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000092003099 218102035 /nfs/dbraw/zinc/10/20/35/218102035.db2.gz KNBIYQXKELWWNV-IAGOWNOFSA-N 1 0 336.501 2.234 50 0 EEAARO C[NH+](C)CCCNC(=O)c1ccccc1NC(=O)c1cccnc1 ZINC000010312833 211163068 /nfs/dbraw/zinc/16/30/68/211163068.db2.gz CECKYKZLPMSTRK-UHFFFAOYSA-N 1 0 326.400 2.015 50 0 EEAARO Cc1cccc(N2CC[NH+](CCC(=O)NCc3cccnc3)CC2)c1 ZINC000095353702 218286837 /nfs/dbraw/zinc/28/68/37/218286837.db2.gz YYSFNORDNSDCDU-UHFFFAOYSA-N 1 0 338.455 2.219 50 0 EEAARO Cc1nc2ncccc2c(N2CCCO[C@H](C[NH+]3CCCCC3)C2)n1 ZINC000095364719 218297760 /nfs/dbraw/zinc/29/77/60/218297760.db2.gz OGIIKQGGYMNPJJ-MRXNPFEDSA-N 1 0 341.459 2.414 50 0 EEAARO CN(CC[N@H+](C)C1CCCC1)C(=O)c1ccc(-c2nc[nH]n2)cc1 ZINC000097527343 219033031 /nfs/dbraw/zinc/03/30/31/219033031.db2.gz LUTDPOSFKIIUEL-UHFFFAOYSA-N 1 0 327.432 2.418 50 0 EEAARO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000097602356 219040009 /nfs/dbraw/zinc/04/00/09/219040009.db2.gz 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O=C(c1ccc(=O)[nH]c1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000018215586 463009388 /nfs/dbraw/zinc/00/93/88/463009388.db2.gz POVWYQFTZXCUKR-UHFFFAOYSA-N 1 0 347.418 2.486 50 0 EEAARO CC(C)(CO)C[N@@H+]1CCC[C@H](N2CCN(c3ccc(F)cc3)CC2)C1 ZINC000022918724 463058881 /nfs/dbraw/zinc/05/88/81/463058881.db2.gz XPXYBNYGYNZVQW-IBGZPJMESA-N 1 0 349.494 2.431 50 0 EEAARO OC1(Cn2ccnc2)CC[NH+](C[C@H]2CCOc3ccccc3C2)CC1 ZINC000095527329 463104246 /nfs/dbraw/zinc/10/42/46/463104246.db2.gz UCLOCQWHCGVTNJ-KRWDZBQOSA-N 1 0 341.455 2.351 50 0 EEAARO C[NH+](C)[C@@H](CNC(=O)Cn1c(=O)oc2ccccc21)c1ccsc1 ZINC000025329396 463119853 /nfs/dbraw/zinc/11/98/53/463119853.db2.gz FXZMJFLHISXLCG-AWEZNQCLSA-N 1 0 345.424 2.075 50 0 EEAARO CCC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000027038426 463179782 /nfs/dbraw/zinc/17/97/82/463179782.db2.gz SCSJOZJGJRVQLM-RWMBFGLXSA-N 1 0 333.432 2.361 50 0 EEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc2c(c1)OCC(=O)N2)c1cccs1 ZINC000027679121 463201643 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CCCCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1cccc(F)c1 ZINC000035421719 213025828 /nfs/dbraw/zinc/02/58/28/213025828.db2.gz RCZDMXPTYJLWHX-UHFFFAOYSA-N 1 0 349.450 2.280 50 0 EEAARO c1c(CN2CCC([NH+]3CCSCC3)CC2)nnn1-c1ccccc1 ZINC000072129056 216019280 /nfs/dbraw/zinc/01/92/80/216019280.db2.gz SKBIMKVDSWTLNQ-UHFFFAOYSA-N 1 0 343.500 2.281 50 0 EEAARO O=c1cc(C[N@H+]2CCC[C@H](CCc3c(F)cccc3F)C2)[nH]c(=O)[nH]1 ZINC000072140534 216027291 /nfs/dbraw/zinc/02/72/91/216027291.db2.gz AVKVXERBVGFCNI-GFCCVEGCSA-N 1 0 349.381 2.186 50 0 EEAARO Cc1cccc(CN2CC[NH+](CC(C)(C)CN3CCOCC3)CC2)c1 ZINC000072143628 216029512 /nfs/dbraw/zinc/02/95/12/216029512.db2.gz SDPIRNWIWVMHQD-UHFFFAOYSA-N 1 0 345.531 2.471 50 0 EEAARO CN(Cc1csc(-c2ccccc2)n1)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000072153149 216042044 /nfs/dbraw/zinc/04/20/44/216042044.db2.gz IGLVKALCADXFTP-CQSZACIVSA-N 1 0 331.441 2.147 50 0 EEAARO C[NH+](C)C[C@]1(O)CCCN(C(=O)c2ccccc2N2CCCC2)CC1 ZINC000072162586 216049866 /nfs/dbraw/zinc/04/98/66/216049866.db2.gz 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ZINC000072475165 216253197 /nfs/dbraw/zinc/25/31/97/216253197.db2.gz PFGGKNXHSRHPEH-UHFFFAOYSA-N 1 0 336.443 2.191 50 0 EEAARO CCN(CC)C(=O)NC[C@@H]1CC[N@H+](Cc2cc(C)c(C)o2)C[C@H]1O ZINC000072480697 216260078 /nfs/dbraw/zinc/26/00/78/216260078.db2.gz WVMDDEWVICPYIS-DOTOQJQBSA-N 1 0 337.464 2.131 50 0 EEAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)c(C)c1 ZINC000022999821 212342119 /nfs/dbraw/zinc/34/21/19/212342119.db2.gz ZIRSXIRFDMBERD-UHFFFAOYSA-N 1 0 340.489 2.402 50 0 EEAARO Cc1ccccc1C[NH+]1CCN(Cn2ncc3ccccc3c2=O)CC1 ZINC000022912169 212333186 /nfs/dbraw/zinc/33/31/86/212333186.db2.gz XKYJOQTZLFONOH-UHFFFAOYSA-N 1 0 348.450 2.480 50 0 EEAARO O=C(CCc1c[nH]c2ccccc12)N[C@H]1COC2(C1)CC[NH2+]CC2 ZINC000216496207 241197899 /nfs/dbraw/zinc/19/78/99/241197899.db2.gz WQLLVODWXIRMDS-OAHLLOKOSA-N 1 0 327.428 2.128 50 0 EEAARO O=C(NC[C@H]1CCCO1)N1CCC[N@@H+](C2Cc3ccccc3C2)CC1 ZINC000426376391 241271555 /nfs/dbraw/zinc/27/15/55/241271555.db2.gz OUALWBSFBUTMBZ-LJQANCHMSA-N 1 0 343.471 2.050 50 0 EEAARO Cc1ccc(C(=O)N2CC[C@@](O)(c3ccccc3)C2)cc1OCC[NH3+] ZINC000426394612 241275306 /nfs/dbraw/zinc/27/53/06/241275306.db2.gz OLPURQBINBNHKD-FQEVSTJZSA-N 1 0 340.423 2.066 50 0 EEAARO Cc1nc(CSc2nnc(CC[NH3+])n2-c2ccccc2F)co1 ZINC000426640320 241320832 /nfs/dbraw/zinc/32/08/32/241320832.db2.gz AJWRBMPZHOMJNX-UHFFFAOYSA-N 1 0 333.392 2.496 50 0 EEAARO O=C(N[C@H]1CCc2ccccc21)N1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000426412399 241278109 /nfs/dbraw/zinc/27/81/09/241278109.db2.gz QNRINZVHWDBVBJ-SFHVURJKSA-N 1 0 343.471 2.306 50 0 EEAARO CO[C@H]1CC[C@@]2(OC)CC[N@H+](Cc3cccc(OCCO)c3)[C@H]2C1 ZINC000426548661 241306470 /nfs/dbraw/zinc/30/64/70/241306470.db2.gz YCKCNJIZLLENEP-YTQUADARSA-N 1 0 335.444 2.216 50 0 EEAARO CC(C)c1nc(CNC(=O)N2CC[NH+](C3CCCCC3)CC2)no1 ZINC000426547641 241306891 /nfs/dbraw/zinc/30/68/91/241306891.db2.gz PUJYXLWYLRTYLK-UHFFFAOYSA-N 1 0 335.452 2.353 50 0 EEAARO Cc1ccc(C(=O)N2CC(Oc3ccc(F)cc3)C2)cc1OCC[NH3+] ZINC000426545443 241307035 /nfs/dbraw/zinc/30/70/35/241307035.db2.gz RHWZJMOHGNHRKP-UHFFFAOYSA-N 1 0 344.386 2.375 50 0 EEAARO COCc1nc([C@H]2C[C@H]([NH3+])C2)cc(N2CCCC3(CCOCC3)C2)n1 ZINC000244882817 243097019 /nfs/dbraw/zinc/09/70/19/243097019.db2.gz XZOKHOIRLSISFR-SHTZXODSSA-N 1 0 346.475 2.225 50 0 EEAARO COC(=O)c1sccc1NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000020543618 212145203 /nfs/dbraw/zinc/14/52/03/212145203.db2.gz KBLFAJCUDNJLMN-UHFFFAOYSA-N 1 0 325.434 2.340 50 0 EEAARO CCOc1ccccc1CN1CC[N@@H+](C2CCOCC2)C[C@@H]1CCO ZINC000020205976 212111590 /nfs/dbraw/zinc/11/15/90/212111590.db2.gz PSWOAODZKGYQSO-IBGZPJMESA-N 1 0 348.487 2.133 50 0 EEAARO C[C@H]1C[NH+](C2CCN(C(=O)COc3ccccc3)CC2)C[C@H](C)O1 ZINC000020035149 212096349 /nfs/dbraw/zinc/09/63/49/212096349.db2.gz HHRXSHAESBKNRB-HOTGVXAUSA-N 1 0 332.444 2.166 50 0 EEAARO CC(C)([NH3+])c1cn(C2CCN(C(=O)/C=C/c3ccccc3)CC2)nn1 ZINC000019798896 212070054 /nfs/dbraw/zinc/07/00/54/212070054.db2.gz CZUGWQGWVYYROM-CMDGGOBGSA-N 1 0 339.443 2.349 50 0 EEAARO Cc1ncc2c(c1-c1noc(Cn3cc4ccccc4n3)n1)CC[NH2+]C2 ZINC000019789685 212066723 /nfs/dbraw/zinc/06/67/23/212066723.db2.gz YTZGGSUVRLCQPA-UHFFFAOYSA-N 1 0 346.394 2.484 50 0 EEAARO Cc1cc(C)n(CCC[N@@H+](C)Cc2cnc(N3CCOCC3)s2)n1 ZINC000019717675 212057051 /nfs/dbraw/zinc/05/70/51/212057051.db2.gz QWYKTYDUTFWMEL-UHFFFAOYSA-N 1 0 349.504 2.315 50 0 EEAARO COCc1cn(CC2CC[NH+](C3Cc4ccccc4C3)CC2)nn1 ZINC000019300800 212014571 /nfs/dbraw/zinc/01/45/71/212014571.db2.gz OGGYCLIIDJRXEN-UHFFFAOYSA-N 1 0 326.444 2.304 50 0 EEAARO O=C1N(CC2CCCCC2)CCC[C@@]1(O)C[NH2+]Cc1cccnc1 ZINC000012304142 211339144 /nfs/dbraw/zinc/33/91/44/211339144.db2.gz WBXNJOKOVPSDHL-LJQANCHMSA-N 1 0 331.460 2.105 50 0 EEAARO C[NH2+]CC(=O)N[C@H]1CC(C)(C)Cc2c1cnn2-c1ccc(F)cc1 ZINC000091616853 218031329 /nfs/dbraw/zinc/03/13/29/218031329.db2.gz BRVAUQWZKGZCOJ-HNNXBMFYSA-N 1 0 330.407 2.361 50 0 EEAARO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000091651116 218040360 /nfs/dbraw/zinc/04/03/60/218040360.db2.gz ACZOLCLKZARHSS-HNAYVOBHSA-N 1 0 342.418 2.454 50 0 EEAARO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)c2ccccn2)CC1 ZINC000095374995 218308252 /nfs/dbraw/zinc/30/82/52/218308252.db2.gz VJZICWLZBOGPQE-UHFFFAOYSA-N 1 0 341.459 2.250 50 0 EEAARO CCOCCn1nc(C)cc1C(=O)N1CC[N@H+](C(C)C)[C@H](CC)C1 ZINC000095381037 218313305 /nfs/dbraw/zinc/31/33/05/218313305.db2.gz DMOQSQJKPCKMHS-MRXNPFEDSA-N 1 0 336.480 2.173 50 0 EEAARO O=C(NCc1cn2cccnc2n1)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095383367 218315710 /nfs/dbraw/zinc/31/57/10/218315710.db2.gz OMVJDZARQGXAHB-INIZCTEOSA-N 1 0 335.411 2.126 50 0 EEAARO CC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1cn2cccnc2n1 ZINC000095502045 218416463 /nfs/dbraw/zinc/41/64/63/218416463.db2.gz PPOMJYXCDTVFRM-HNNXBMFYSA-N 1 0 329.448 2.417 50 0 EEAARO CC1(C)[C@H]2CC[C@]1(C)C(=O)N(C[C@H](O)C[NH+]1CCCCCC1)C2=O ZINC000004899294 210316284 /nfs/dbraw/zinc/31/62/84/210316284.db2.gz HVUSCPODFBEQJZ-ZRGWGRIASA-N 1 0 336.476 2.035 50 0 EEAARO O=C(NCC[N@@H+]1CCC[C@H](c2ccccc2)C1)c1cn2cccnc2n1 ZINC000097475005 219028734 /nfs/dbraw/zinc/02/87/34/219028734.db2.gz SIPWVRIDEQYXPV-KRWDZBQOSA-N 1 0 349.438 2.339 50 0 EEAARO O=C(NCCCc1nc2ccccc2[nH]1)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000119484915 221331326 /nfs/dbraw/zinc/33/13/26/221331326.db2.gz ZZNFIACVEKCQPP-HNNXBMFYSA-N 1 0 339.443 2.151 50 0 EEAARO Fc1ccc(OCCC[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1 ZINC000299772750 258084684 /nfs/dbraw/zinc/08/46/84/258084684.db2.gz BUWRXRNUIGRNOP-IRXDYDNUSA-N 1 0 332.379 2.032 50 0 EEAARO O=C(C[N@@H+]1C[C@@H]2CC[C@H]1C2)NCc1noc(-c2c(F)cccc2F)n1 ZINC000299783535 258091239 /nfs/dbraw/zinc/09/12/39/258091239.db2.gz VKEWYHMYWLONNE-MNOVXSKESA-N 1 0 348.353 2.115 50 0 EEAARO O=C(Cc1ccccc1C(F)(F)F)NCC[N@H+]1CCC[C@H](CO)C1 ZINC000299791238 258096658 /nfs/dbraw/zinc/09/66/58/258096658.db2.gz DVSCOPRJGKQGHH-ZDUSSCGKSA-N 1 0 344.377 2.068 50 0 EEAARO COc1cc(C)ccc1OCC[N@@H+]1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 ZINC000299761074 258077951 /nfs/dbraw/zinc/07/79/51/258077951.db2.gz QWQCOVUJYOOWKC-AYOQOUSVSA-N 1 0 335.444 2.387 50 0 EEAARO COc1cc(-c2ccc(C)s2)cc2c1OCCN(C(=O)C[NH3+])C2 ZINC000067856540 274090593 /nfs/dbraw/zinc/09/05/93/274090593.db2.gz RKSGESWFWQGVRH-UHFFFAOYSA-N 1 0 332.425 2.412 50 0 EEAARO Cc1cc(C)c(-n2cccn2)c(CN2CCOC[C@@H](C[NH+](C)C)C2)c1 ZINC000072158548 301160988 /nfs/dbraw/zinc/16/09/88/301160988.db2.gz APMHBJBGWQUWRL-SFHVURJKSA-N 1 0 342.487 2.499 50 0 EEAARO CCN1C[C@H]([NH2+]C2CCN(c3ccc(F)c(F)c3)CC2)[C@@H](OC)C1 ZINC000534676059 468273738 /nfs/dbraw/zinc/27/37/38/468273738.db2.gz HHSDFBVLOSRLTN-ROUUACIJSA-N 1 0 339.430 2.242 50 0 EEAARO CC(C)[NH2+]C[C@@H](O)COc1ccc(COCCOC(C)C)cc1 ZINC000001530570 462583512 /nfs/dbraw/zinc/58/35/12/462583512.db2.gz VHYCDWMUTMEGQY-QGZVFWFLSA-N 1 0 325.449 2.366 50 0 fda EEAARO Cc1cccc(N(C[C@@H](O)C[NH+](C)C)S(=O)(=O)c2ccccc2)c1 ZINC000002206797 462591804 /nfs/dbraw/zinc/59/18/04/462591804.db2.gz OJADXMRAMUVZIF-KRWDZBQOSA-N 1 0 348.468 2.113 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000002857768 462605351 /nfs/dbraw/zinc/60/53/51/462605351.db2.gz NUFGNVDRZVVPJP-CYBMUJFWSA-N 1 0 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ZINC001529117891 1121324686 /nfs/dbraw/zinc/32/46/86/1121324686.db2.gz CPLHMMOOEXCZMB-CZUORRHYSA-N 1 0 335.354 2.113 50 0 EEAARO CCOc1ccc(NC2CC[NH+]([C@@H]3CC(=O)N(CC)C3=O)CC2)cc1 ZINC000004708550 210254883 /nfs/dbraw/zinc/25/48/83/210254883.db2.gz ZRTAEZVAZKADSB-QGZVFWFLSA-N 1 0 345.443 2.109 50 0 EEAARO O[C@@H](CNc1nccc(-c2cccnc2)n1)C[NH+]1CCCCCC1 ZINC000097730261 219052048 /nfs/dbraw/zinc/05/20/48/219052048.db2.gz FCZXFTBWSYPCTA-INIZCTEOSA-N 1 0 327.432 2.187 50 0 EEAARO CCc1nnc(CN(CC)C(=O)[C@H]2CCC[N@H+](Cc3ccco3)C2)o1 ZINC000055225732 214290880 /nfs/dbraw/zinc/29/08/80/214290880.db2.gz PUMCQRFKCHTIEP-AWEZNQCLSA-N 1 0 346.431 2.486 50 0 EEAARO c1ccc2cc(-c3ncc(CNC[C@H]4C[NH2+]CCO4)cn3)ccc2c1 ZINC000055370400 214313163 /nfs/dbraw/zinc/31/31/63/214313163.db2.gz CFYFHQMQBPPTEZ-LJQANCHMSA-N 1 0 334.423 2.375 50 0 EEAARO CC[NH+](CC)[C@@H]1CCN(C(=O)C(C)(C)NC(=O)c2cccs2)C1 ZINC000055341735 214308321 /nfs/dbraw/zinc/30/83/21/214308321.db2.gz GVUIFXVEOMZUKZ-CYBMUJFWSA-N 1 0 337.489 2.199 50 0 EEAARO CSc1ccccc1NC(=O)CCC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000055413209 214321558 /nfs/dbraw/zinc/32/15/58/214321558.db2.gz KIILKYQTCWASDA-ZDUSSCGKSA-N 1 0 335.473 2.195 50 0 EEAARO COc1cc([C@@H]2NC(=[NH2+])Nc3nc4ccccc4n32)cc(OC)c1O ZINC000004632335 210234533 /nfs/dbraw/zinc/23/45/33/210234533.db2.gz NRMUKJKMQWOGDG-OAHLLOKOSA-N 1 0 339.355 2.046 50 0 EEAARO CCc1c[nH]nc1C1CCN(C(=O)C[C@H]2C[N@@H+](C(C)C)CCO2)CC1 ZINC000067559493 215161923 /nfs/dbraw/zinc/16/19/23/215161923.db2.gz PCVFFNHITBCCIZ-KRWDZBQOSA-N 1 0 348.491 2.177 50 0 EEAARO CC(=O)N1CCC(C(=O)NCC2=CC[N@@H+]([C@H]3C=CCCC3)CC2)CC1 ZINC000067740817 215199385 /nfs/dbraw/zinc/19/93/85/215199385.db2.gz VNSJAJSNVOMXKO-IBGZPJMESA-N 1 0 345.487 2.102 50 0 EEAARO CC(C)NC(=O)NC[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067787718 215211908 /nfs/dbraw/zinc/21/19/08/215211908.db2.gz XOPYLHVMVSZODV-CQSZACIVSA-N 1 0 342.443 2.058 50 0 EEAARO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(COc2ccccc2F)n[nH]1 ZINC000067908388 215246546 /nfs/dbraw/zinc/24/65/46/215246546.db2.gz GANBIUAUQWYFBP-CQSZACIVSA-N 1 0 346.406 2.342 50 0 EEAARO CCc1ccc(C[N@@H+]2CCC[C@@H](CNC(=O)c3ccc(=O)[nH]c3)C2)o1 ZINC000067920802 215251475 /nfs/dbraw/zinc/25/14/75/215251475.db2.gz VZZKRNCFVCSUGO-AWEZNQCLSA-N 1 0 343.427 2.172 50 0 EEAARO O=C(CCNC(=O)Nc1ccccc1)N1CC[NH+](C2CCCC2)CC1 ZINC000032804107 212846887 /nfs/dbraw/zinc/84/68/87/212846887.db2.gz NKZORBNENBNMMR-UHFFFAOYSA-N 1 0 344.459 2.285 50 0 EEAARO CC[C@@H](NC(=O)C1([NH+](C)C)Cc2ccccc2C1)c1ccnn1C ZINC000072146904 216033959 /nfs/dbraw/zinc/03/39/59/216033959.db2.gz VCWOBDWBDYXQSC-MRXNPFEDSA-N 1 0 326.444 2.087 50 0 EEAARO Nc1nc(CCCNC(=O)c2ccccc2[C@@H]2CC[NH2+]C2)cs1 ZINC000072153559 216042418 /nfs/dbraw/zinc/04/24/18/216042418.db2.gz YDOKATZSKNDIMX-GFCCVEGCSA-N 1 0 330.457 2.165 50 0 EEAARO COCc1ncc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)cn1 ZINC000072156418 216045528 /nfs/dbraw/zinc/04/55/28/216045528.db2.gz PPGFVIRVONTGMQ-UHFFFAOYSA-N 1 0 344.434 2.470 50 0 EEAARO Cc1nc(N2CCCCC2)ncc1C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000072172854 216063930 /nfs/dbraw/zinc/06/39/30/216063930.db2.gz PJFCZBHEIYXWJR-INIZCTEOSA-N 1 0 345.491 2.332 50 0 EEAARO CCN1C[C@]2(CCC[N@H+](CC(=O)NCc3ccccc3)C2)CCC1=O ZINC000072408571 216199432 /nfs/dbraw/zinc/19/94/32/216199432.db2.gz VGDLUZLXZXCLQF-HXUWFJFHSA-N 1 0 343.471 2.027 50 0 EEAARO C[NH+](C)C1(CNC(=O)c2cccc(CCC(C)(C)O)c2)CCOCC1 ZINC000072419271 216207199 /nfs/dbraw/zinc/20/71/99/216207199.db2.gz RUGLVZWZLWJVGP-UHFFFAOYSA-N 1 0 348.487 2.231 50 0 EEAARO CCC[C@@H](c1nccn1C)n1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072412029 216203770 /nfs/dbraw/zinc/20/37/70/216203770.db2.gz LCUDUQZQNDPKMJ-INIZCTEOSA-N 1 0 339.447 2.363 50 0 EEAARO Cc1ncsc1CCn1ccnc1-c1cc2n(n1)CCC[NH2+]C2 ZINC000072419302 216208173 /nfs/dbraw/zinc/20/81/73/216208173.db2.gz GJUXXVIDYLKBPU-UHFFFAOYSA-N 1 0 328.445 2.248 50 0 EEAARO O=C([C@H]1CCC[N@@H+](C2CCOCC2)C1)N1CCC(c2ncc[nH]2)CC1 ZINC000072423700 216213198 /nfs/dbraw/zinc/21/31/98/216213198.db2.gz ITWVFJMNMBBJJA-INIZCTEOSA-N 1 0 346.475 2.007 50 0 EEAARO COCCOc1ccc(CNc2nc(C)nc3c2CC[NH2+]CC3)cc1 ZINC000072425196 216214389 /nfs/dbraw/zinc/21/43/89/216214389.db2.gz PLPUWEFLUHBNOT-UHFFFAOYSA-N 1 0 342.443 2.111 50 0 EEAARO CN(Cc1cccnc1)c1nc(-c2ccccn2)nc2c1CC[NH2+]CC2 ZINC000072433161 216227365 /nfs/dbraw/zinc/22/73/65/216227365.db2.gz PMHKCWUBACKLPT-UHFFFAOYSA-N 1 0 346.438 2.258 50 0 EEAARO Cc1nc(CC(=O)N2C[C@@H]3C[C@H]2C[N@@H+]3Cc2ccccc2)cs1 ZINC000072433399 216228423 /nfs/dbraw/zinc/22/84/23/216228423.db2.gz DTRCBJVLDWYZMV-IRXDYDNUSA-N 1 0 327.453 2.479 50 0 EEAARO C[C@H](Cc1cccs1)NC(=O)CCc1cc2n(n1)CCC[NH2+]C2 ZINC000072431650 216224727 /nfs/dbraw/zinc/22/47/27/216224727.db2.gz CBXWPQMGNXMXOR-CYBMUJFWSA-N 1 0 332.473 2.118 50 0 EEAARO Cc1ncc2c(c1CNC(=O)c1cccc(-c3ncc[nH]3)c1)CC[NH2+]C2 ZINC000072476474 216254815 /nfs/dbraw/zinc/25/48/15/216254815.db2.gz DSGIKZFYBJLUHF-UHFFFAOYSA-N 1 0 347.422 2.356 50 0 EEAARO COc1ccc(-n2cccn2)c(C[N@H+](C)CCc2cnn(C)c2)c1 ZINC000215793274 241147312 /nfs/dbraw/zinc/14/73/12/241147312.db2.gz KSYZHAJHSXJZDR-UHFFFAOYSA-N 1 0 325.416 2.289 50 0 EEAARO CN(CC(=O)NCc1ccc(F)c(C(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000216037488 241160296 /nfs/dbraw/zinc/16/02/96/241160296.db2.gz QRYDPISVZXQMKG-UHFFFAOYSA-N 1 0 347.356 2.145 50 0 EEAARO C[C@H](CCC(=O)NC1CCN(c2ccccc2)CC1)[NH+]1CCOCC1 ZINC000219325975 241380481 /nfs/dbraw/zinc/38/04/81/241380481.db2.gz PKLCRSTVNVUVQJ-QGZVFWFLSA-N 1 0 345.487 2.273 50 0 EEAARO CN(Cc1cnc2ccccc2n1)C(=O)c1cccc(OCC[NH3+])c1 ZINC000426739697 241333830 /nfs/dbraw/zinc/33/38/30/241333830.db2.gz HUMDJDFRUOTOLZ-UHFFFAOYSA-N 1 0 336.395 2.240 50 0 EEAARO Cc1ccccc1CC(=O)N1CCC(CO)(C[NH+]2CCCC2)CC1 ZINC000219496464 241389707 /nfs/dbraw/zinc/38/97/07/241389707.db2.gz OAJKNPXVBAEXFJ-UHFFFAOYSA-N 1 0 330.472 2.234 50 0 EEAARO O=C(CN1Cc2ccccc2C1=O)NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230208394 242249763 /nfs/dbraw/zinc/24/97/63/242249763.db2.gz XVHLCYVSHPNGEO-QAPCUYQASA-N 1 0 341.455 2.023 50 0 biogenic EEAARO CCc1nnc(NC(=O)CC[NH+]2CCC(c3n[nH]cc3C)CC2)s1 ZINC000243932446 243032197 /nfs/dbraw/zinc/03/21/97/243032197.db2.gz BVKXYVALWWFGIK-UHFFFAOYSA-N 1 0 348.476 2.340 50 0 EEAARO Cc1nccn1CCN(C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000244874913 243095962 /nfs/dbraw/zinc/09/59/62/243095962.db2.gz XJNBAFKHHYUWTK-FQEVSTJZSA-N 1 0 342.487 2.414 50 0 EEAARO C[NH+]1CCN(CCOCCOc2cccc(C(F)(F)F)c2)CC1 ZINC000020652564 212160105 /nfs/dbraw/zinc/16/01/05/212160105.db2.gz SDSJHCFPIGYZTE-UHFFFAOYSA-N 1 0 332.366 2.348 50 0 EEAARO Cc1ccc(N2C(=S)N=NC2CN2CC[NH+](C)CC2)cc1Cl ZINC000019362375 212021595 /nfs/dbraw/zinc/02/15/95/212021595.db2.gz FIINAIQWONQVCX-UHFFFAOYSA-N 1 0 337.880 2.265 50 0 EEAARO COc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)C(=O)C(C)(C)O)C1 ZINC000012471955 211389758 /nfs/dbraw/zinc/38/97/58/211389758.db2.gz KKOJMKLTCXPNHE-INIZCTEOSA-N 1 0 348.487 2.179 50 0 EEAARO CN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CCN(c2ccccc2)C1=O ZINC000011878279 211263709 /nfs/dbraw/zinc/26/37/09/211263709.db2.gz YEJPCQXAVRQBGL-GOSISDBHSA-N 1 0 343.471 2.374 50 0 EEAARO O=C1CCC2(CC[NH+](C[C@H]3CCOC3)CC2)CN1Cc1cccnc1 ZINC000091486821 218012993 /nfs/dbraw/zinc/01/29/93/218012993.db2.gz KQGQCUJJDCREDK-GOSISDBHSA-N 1 0 343.471 2.323 50 0 EEAARO C[N@H+](CC(=O)N1CC[C@@H](Cc2cccc(CO)c2)C1)C1CCCC1 ZINC000091943689 218092027 /nfs/dbraw/zinc/09/20/27/218092027.db2.gz FVADNKQNAMFIFU-KRWDZBQOSA-N 1 0 330.472 2.444 50 0 EEAARO CCc1nc(C)c(C(=O)N[C@H]2C[N@@H+](C3CCOCC3)C[C@@H]2C(C)C)o1 ZINC000091997627 218101015 /nfs/dbraw/zinc/10/10/15/218101015.db2.gz VAVIPXPCDBISIY-CVEARBPZSA-N 1 0 349.475 2.411 50 0 EEAARO Cc1ccc(CC(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000092002596 218102075 /nfs/dbraw/zinc/10/20/75/218102075.db2.gz PCCDTLPUIPDADJ-RTBURBONSA-N 1 0 330.472 2.090 50 0 EEAARO COC(=O)c1cc(OCC2CCC2)cc(C(=O)N2CC[NH2+][C@H](C)C2)c1 ZINC000092028613 218106230 /nfs/dbraw/zinc/10/62/30/218106230.db2.gz CKJUXVDTEWKHOQ-CYBMUJFWSA-N 1 0 346.427 2.086 50 0 EEAARO CCc1cc(N2CCC3(CC2)OCCC[C@H]3O)nc(N2CCCC2)[nH+]1 ZINC000091943152 218092558 /nfs/dbraw/zinc/09/25/58/218092558.db2.gz IXOFAEJXVDXQCQ-MRXNPFEDSA-N 1 0 346.475 2.150 50 0 EEAARO Nc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)cn1 ZINC000095391170 218322240 /nfs/dbraw/zinc/32/22/40/218322240.db2.gz XVLNPRUTIDPQON-SJLPKXTDSA-N 1 0 336.439 2.400 50 0 EEAARO CNc1ncc(CN(C)C(=O)c2ccc([C@@H]3CCC[NH2+]C3)cc2)cn1 ZINC000095390662 218322319 /nfs/dbraw/zinc/32/23/19/218322319.db2.gz DAHAWDRSBYCFGD-QGZVFWFLSA-N 1 0 339.443 2.258 50 0 EEAARO Cc1coc2cc3oc(=O)c(CC(=O)NCC[NH+](C)C)c(C)c3cc12 ZINC000008764342 211002882 /nfs/dbraw/zinc/00/28/82/211002882.db2.gz HBTREJLVKXENQW-UHFFFAOYSA-N 1 0 342.395 2.376 50 0 biogenic EEAARO C[C@H]([NH3+])[C@@H]1CCCN(S(=O)(=O)c2ccc(C(F)(F)F)cc2)C1 ZINC000112511457 220340971 /nfs/dbraw/zinc/34/09/71/220340971.db2.gz NHNIGXSDNQMGNS-WDEREUQCSA-N 1 0 336.379 2.453 50 0 EEAARO COc1cc(C)c(C[N@@H+]2CC[C@H]3[C@H](C2)OCc2cnnn23)cc1C ZINC000299771802 258084448 /nfs/dbraw/zinc/08/44/48/258084448.db2.gz VACRVNDHWQDPGD-WMZOPIPTSA-N 1 0 328.416 2.249 50 0 EEAARO CO[C@]12CCN(C(=O)c3ccc(C[NH+]4CCCC4)o3)[C@H]1C[C@H](O)CC2 ZINC000299772368 258085037 /nfs/dbraw/zinc/08/50/37/258085037.db2.gz ZTTVIFHWAJMSIU-DKSSEZFCSA-N 1 0 348.443 2.020 50 0 EEAARO c1nnn2c1CO[C@H]1C[N@H+](CCCCOc3ccccc3)CC[C@@H]12 ZINC000299792489 258097892 /nfs/dbraw/zinc/09/78/92/258097892.db2.gz FHFXEGVTDHQGEO-ROUUACIJSA-N 1 0 328.416 2.283 50 0 EEAARO COC(=O)c1ccc(N2CC[NH+](Cc3ccccc3)CC2)c(N)c1 ZINC000055561880 132196144 /nfs/dbraw/zinc/19/61/44/132196144.db2.gz WDOBFCZFZLAWFC-UHFFFAOYSA-N 1 0 325.412 2.378 50 0 EEAARO CC[N@@H+]1CCC[C@H]1Cn1cnc2c3cc(OC)ccc3[nH]c2c1=O ZINC000005101144 276188055 /nfs/dbraw/zinc/18/80/55/276188055.db2.gz BULZHPKWGFAVQN-LBPRGKRZSA-N 1 0 326.400 2.371 50 0 EEAARO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)c1c[nH]nc1-c1ccccc1 ZINC000092107046 289143584 /nfs/dbraw/zinc/14/35/84/289143584.db2.gz YZNGEGHTBXDUHL-MRXNPFEDSA-N 1 0 342.443 2.260 50 0 EEAARO C[C@@H](C(=O)NCCc1cccs1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229221410 464194750 /nfs/dbraw/zinc/19/47/50/464194750.db2.gz BWUHFMXNNZTVHS-UONOGXRCSA-N 1 0 332.473 2.398 50 0 EEAARO CCOC(=O)c1cnc2ccc(OC)cc2c1N1CC[NH+](C)CC1 ZINC000000143858 462543491 /nfs/dbraw/zinc/54/34/91/462543491.db2.gz RREYSNXSPFXJIO-UHFFFAOYSA-N 1 0 329.400 2.172 50 0 EEAARO CCOC(=O)C1CC[NH+](C[C@@H](O)COc2ccc3c(c2)CCC3)CC1 ZINC000005686386 462665975 /nfs/dbraw/zinc/66/59/75/462665975.db2.gz HRLQXHKASDQUOS-GOSISDBHSA-N 1 0 347.455 2.190 50 0 EEAARO O=C(Nc1ccccc1F)N1CCC[N@H+](CCn2cccn2)CC1 ZINC000075162628 462690005 /nfs/dbraw/zinc/69/00/05/462690005.db2.gz ZCPJIBDYMIFYAF-UHFFFAOYSA-N 1 0 331.395 2.262 50 0 EEAARO CCOc1cccc(OCCN2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000065386386 462760673 /nfs/dbraw/zinc/76/06/73/462760673.db2.gz DBNNSPJQRWPGAR-LJQANCHMSA-N 1 0 334.460 2.261 50 0 EEAARO C[C@@H]1CCCN(C(=O)CCN2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000065405667 462766153 /nfs/dbraw/zinc/76/61/53/462766153.db2.gz ZVSSRSZOXOAKDI-LJQANCHMSA-N 1 0 343.515 2.495 50 0 EEAARO COc1ccc(CCNC(=O)C[N@H+](C)[C@@H]2CCOC(C)(C)C2)cc1 ZINC000065435651 462770902 /nfs/dbraw/zinc/77/09/02/462770902.db2.gz GUJIWYIGPGXOFQ-MRXNPFEDSA-N 1 0 334.460 2.243 50 0 EEAARO CC(C)(C)NC(=O)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000013985357 462906080 /nfs/dbraw/zinc/90/60/80/462906080.db2.gz LALSCYQBVATYMH-UHFFFAOYSA-N 1 0 331.460 2.317 50 0 EEAARO CNC(=O)c1nn(Cc2ccccc2)c2c1C[C@H]([NH2+]CC(C)C)CC2 ZINC000014743437 462932376 /nfs/dbraw/zinc/93/23/76/462932376.db2.gz YMRCJBHTHKRVJY-MRXNPFEDSA-N 1 0 340.471 2.394 50 0 EEAARO CC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CC(C)C)C(=O)N2CCOC ZINC000014744623 462932569 /nfs/dbraw/zinc/93/25/69/462932569.db2.gz SAKUEQBZCMFIIV-OAHLLOKOSA-N 1 0 339.480 2.186 50 0 EEAARO NC(=O)C[C@H]([NH2+]Cc1cc2ccccc2c(=O)[nH]1)C1CCCCC1 ZINC000119875503 462936883 /nfs/dbraw/zinc/93/68/83/462936883.db2.gz OYTDWQZEVYRXKG-KRWDZBQOSA-N 1 0 327.428 2.442 50 0 EEAARO CCOC(=O)C1CC[NH+](Cc2cc3ccc(F)cc3n(C)c2=O)CC1 ZINC000014996076 462938559 /nfs/dbraw/zinc/93/85/59/462938559.db2.gz VODCVTNXEIFVJU-UHFFFAOYSA-N 1 0 346.402 2.453 50 0 EEAARO C[C@@H]([NH2+]CCn1c(=O)oc2cccnc21)c1nc2ccccc2n1C ZINC000120342321 462988602 /nfs/dbraw/zinc/98/86/02/462988602.db2.gz ZTZBZKOIGZNNQA-GFCCVEGCSA-N 1 0 337.383 2.227 50 0 EEAARO O=C(c1ccc(Cl)s1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077456866 462989272 /nfs/dbraw/zinc/98/92/72/462989272.db2.gz KRYXZFZVCUOWMK-HNNXBMFYSA-N 1 0 328.865 2.464 50 0 EEAARO COc1c[nH]c(C[N@@H+]2CCCC[C@H]2CCn2ccnc2C)cc1=O ZINC000077471765 462990557 /nfs/dbraw/zinc/99/05/57/462990557.db2.gz XQEIEMIBRUNAGK-INIZCTEOSA-N 1 0 330.432 2.333 50 0 EEAARO CCC(=O)Nc1ccc(OCC(=O)N2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000067983268 463076536 /nfs/dbraw/zinc/07/65/36/463076536.db2.gz OFFQIHCVCBEFHQ-IBGZPJMESA-N 1 0 345.443 2.016 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2nnn(C(C)C)n2)cc1 ZINC000095480842 463093470 /nfs/dbraw/zinc/09/34/70/463093470.db2.gz ZKUYRIZUBVQMCQ-INIZCTEOSA-N 1 0 342.447 2.135 50 0 EEAARO CC[NH+]1CCC(CC(=O)N2CCOc3ccc(CO)cc3C2)CC1 ZINC000095499193 463095037 /nfs/dbraw/zinc/09/50/37/463095037.db2.gz STFTXVYXPFXZAN-UHFFFAOYSA-N 1 0 332.444 2.022 50 0 EEAARO O[C@@H](COc1ccc(F)cc1)C[NH+]1CCN(c2ccccc2)CC1 ZINC000026781193 463172347 /nfs/dbraw/zinc/17/23/47/463172347.db2.gz OAJHBYRUNMRUNS-GOSISDBHSA-N 1 0 330.403 2.388 50 0 EEAARO COc1cc(C[NH2+]C2CCN(C(=O)C(C)C)CC2)cc2c1OCCO2 ZINC000030671161 463308537 /nfs/dbraw/zinc/30/85/37/463308537.db2.gz DHVMPGXZXVSSMN-UHFFFAOYSA-N 1 0 348.443 2.203 50 0 EEAARO CCCN(CCC(=O)N1CC[NH2+]CC1)C(=O)c1ccc(Cl)cc1 ZINC000035421940 463430837 /nfs/dbraw/zinc/43/08/37/463430837.db2.gz DKXQNEDKMSIOJA-UHFFFAOYSA-N 1 0 337.851 2.014 50 0 EEAARO COc1cccc(CN2CCCC[C@@H]([NH3+])C2)c1OCCn1ccnc1 ZINC000082137029 463518820 /nfs/dbraw/zinc/51/88/20/463518820.db2.gz PJXGPWSDSXBHEK-QGZVFWFLSA-N 1 0 344.459 2.284 50 0 EEAARO CC[C@H]1CN(Cc2nc(-c3ccccc3C)no2)CC[N@@H+]1C[C@H](C)O ZINC000106906708 463548492 /nfs/dbraw/zinc/54/84/92/463548492.db2.gz MJERUZUAIHOUKF-HOTGVXAUSA-N 1 0 344.459 2.322 50 0 EEAARO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@H](C)C1)c1ccc(-n2cccn2)cc1 ZINC000108375123 463602081 /nfs/dbraw/zinc/60/20/81/463602081.db2.gz MXGJHKNKVZWGTC-BZUAXINKSA-N 1 0 342.443 2.159 50 0 EEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)NC(=O)CO2 ZINC000170613667 463683920 /nfs/dbraw/zinc/68/39/20/463683920.db2.gz KQQQOQSNCHKHQS-HOCLYGCPSA-N 1 0 343.427 2.012 50 0 EEAARO CN(Cc1[nH]nc2c1CCC2)C(=O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000222756470 464132975 /nfs/dbraw/zinc/13/29/75/464132975.db2.gz INVKPZQCRNHGCD-MRXNPFEDSA-N 1 0 338.455 2.346 50 0 EEAARO Cc1nc2c(c(C)n1)C[C@H](C[N@@H+](C)Cc1ccc3nonc3c1)O2 ZINC000244899712 464464745 /nfs/dbraw/zinc/46/47/45/464464745.db2.gz ZOONIUAYPOQXAI-CYBMUJFWSA-N 1 0 325.372 2.065 50 0 EEAARO Cc1cc(C(=O)N2CCOC[C@@H](C[NH+](C)C)C2)c2ccc(F)cc2n1 ZINC000299769821 465884050 /nfs/dbraw/zinc/88/40/50/465884050.db2.gz QWDGPUYNNVXLID-AWEZNQCLSA-N 1 0 345.418 2.333 50 0 EEAARO CCc1[nH]nc(C(=O)NC[C@@H]2CCC3(CC[NH+](C(C)C)CC3)O2)c1C ZINC000299773695 465885411 /nfs/dbraw/zinc/88/54/11/465885411.db2.gz DILNUSSOTYHUNE-HNNXBMFYSA-N 1 0 348.491 2.432 50 0 EEAARO O=C(NCC1CC[NH+](CCc2ccccc2)CC1)N1CCC[C@H]1CO ZINC000371730051 465968003 /nfs/dbraw/zinc/96/80/03/465968003.db2.gz MQRCAZBKEZCCFL-IBGZPJMESA-N 1 0 345.487 2.107 50 0 EEAARO CN(C[C@@H]1CCCO1)C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1 ZINC000426477168 467142464 /nfs/dbraw/zinc/14/24/64/467142464.db2.gz GDOLDYLRUZYDJV-SFHVURJKSA-N 1 0 345.487 2.470 50 0 EEAARO C[C@@H](C[NH+]1CCCC1)NC(=O)N1CCC(Oc2ccncc2)CC1 ZINC000584898302 468958836 /nfs/dbraw/zinc/95/88/36/468958836.db2.gz GTKXOFKYDFJYGQ-HNNXBMFYSA-N 1 0 332.448 2.119 50 0 EEAARO NC(=O)c1cccnc1NCC1([NH+]2CCOCC2)CCCCCC1 ZINC000670448185 485646418 /nfs/dbraw/zinc/64/64/18/485646418.db2.gz KCCVXHPUGYRMCA-UHFFFAOYSA-N 1 0 332.448 2.018 50 0 EEAARO Cc1cc2c(cc1C(=O)N1C[C@H]3CCC[C@@H](C1)[N@H+](C)C3)OCCO2 ZINC000670453853 485648085 /nfs/dbraw/zinc/64/80/85/485648085.db2.gz LZSYLPUXRBFYHW-GJZGRUSLSA-N 1 0 330.428 2.323 50 0 EEAARO CN(Cc1cc(-c2cccnc2)no1)C(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000091636584 523160145 /nfs/dbraw/zinc/16/01/45/523160145.db2.gz IZWHPRQTRQHUBR-LJQANCHMSA-N 1 0 348.406 2.410 50 0 EEAARO CC(C)Oc1ccccc1-c1cc(N2CC[NH+](C)CC2)nc(N)n1 ZINC000215000744 535052289 /nfs/dbraw/zinc/05/22/89/535052289.db2.gz VQSXAMPQCOIGRH-UHFFFAOYSA-N 1 0 327.432 2.265 50 0 EEAARO CC[NH+](CC)CC1(NC(=O)c2cnc(-c3ccccn3)nc2)CC1 ZINC000426493122 535495815 /nfs/dbraw/zinc/49/58/15/535495815.db2.gz GCYCLXZFFFYQRC-UHFFFAOYSA-N 1 0 325.416 2.143 50 0 EEAARO CC[N@H+](C)CCNC(=O)N[C@H]1CCCN(c2ccc(F)cc2C)C1 ZINC000117486105 676571236 /nfs/dbraw/zinc/57/12/36/676571236.db2.gz JIBBDOHYOCLDDB-INIZCTEOSA-N 1 0 336.455 2.354 50 0 EEAARO OC1CC[NH+]([C@@H]2CCN(Cc3cc4ccccc4s3)C[C@H]2O)CC1 ZINC000023367954 681370608 /nfs/dbraw/zinc/37/06/08/681370608.db2.gz CAUFNQVEMGFHFV-QZTJIDSGSA-N 1 0 346.496 2.293 50 0 EEAARO C[NH2+]Cc1nnc(SCc2c(C)noc2C)n1C[C@@H]1CCCO1 ZINC000426362076 681607515 /nfs/dbraw/zinc/60/75/15/681607515.db2.gz RTLXUVINBLVBMD-LBPRGKRZSA-N 1 0 337.449 2.074 50 0 EEAARO COc1cc(CN[C@H](C)C[NH2+]Cc2ccc(O)c(OC)c2)ccc1O ZINC000020418599 683563778 /nfs/dbraw/zinc/56/37/78/683563778.db2.gz GRHSUANXFCBDIS-CYBMUJFWSA-N 1 0 346.427 2.383 50 0 EEAARO O=C(/C=C/c1ccco1)NC[C@@H]1C[C@@H](O)C[N@H+]1Cc1ccccc1 ZINC000108144000 1204924559 /nfs/dbraw/zinc/92/45/59/1204924559.db2.gz FUCUCQUYAYFXLM-IBHATUTGSA-N 1 0 326.396 2.044 50 0 EEAARO CC(C)C(=O)N1CCC[C@@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000115254830 1205066013 /nfs/dbraw/zinc/06/60/13/1205066013.db2.gz PJHRREKKOXEFJD-DAWZGUTISA-N 1 0 349.519 2.356 50 0 EEAARO CCOC(=O)c1c(C)n(C[C@H](O)C[NH2+]C(C)C)c2ccc(OC)cc21 ZINC000015724486 1225655485 /nfs/dbraw/zinc/65/54/85/1225655485.db2.gz RGCJKJQKXMBXSD-CQSZACIVSA-N 1 0 348.443 2.494 50 0 EEAARO Cn1ccnc1[C@@H](O)C1CC[NH+](CCc2n[nH]c3ccccc32)CC1 ZINC000020780883 1229613083 /nfs/dbraw/zinc/61/30/83/1229613083.db2.gz FGKGHGFSBMMKHN-SFHVURJKSA-N 1 0 339.443 2.285 50 0 EEAARO OCCC1CCN(c2nc(-c3ccccc3)nc3c2CC[NH2+]C3)CC1 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Cc1cnc(C(=O)NC[C@H]2CCC[N@H+](Cc3cccc(O)c3)C2)cn1 ZINC000067818210 215220632 /nfs/dbraw/zinc/22/06/32/215220632.db2.gz WPKHPXMCKUYSMQ-MRXNPFEDSA-N 1 0 340.427 2.133 50 0 EEAARO CN1CC[N@H+](C)CC12CCN(C(=O)C(C)(C)c1ccccc1)CC2 ZINC000067867047 215234865 /nfs/dbraw/zinc/23/48/65/215234865.db2.gz UYRYTBMWSJVIMQ-UHFFFAOYSA-N 1 0 329.488 2.203 50 0 EEAARO CN(C[C@H]1CC[N@H+](C)C1)C(=O)c1coc(COc2cccc(F)c2)n1 ZINC000067909279 215248716 /nfs/dbraw/zinc/24/87/16/215248716.db2.gz ZSVJDOTUTKZBOZ-ZDUSSCGKSA-N 1 0 347.390 2.416 50 0 EEAARO O=C1N(CCCc2ccccc2)CCC[C@@]1(O)C[NH2+]Cc1ccoc1 ZINC000067967517 215262787 /nfs/dbraw/zinc/26/27/87/215262787.db2.gz NPUYGBSEBORRFN-HXUWFJFHSA-N 1 0 342.439 2.356 50 0 EEAARO CC[NH+](CC)CCCNS(=O)(=O)c1ccc(Br)cc1 ZINC000001794287 209794665 /nfs/dbraw/zinc/79/46/65/209794665.db2.gz OOJWIVIRHRJOCU-UHFFFAOYSA-N 1 0 349.294 2.459 50 0 EEAARO COCc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@]23CCOC3)n1 ZINC000685942284 539990419 /nfs/dbraw/zinc/99/04/19/539990419.db2.gz 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Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc3c(c2)OCO3)CC1 ZINC000216369799 241185805 /nfs/dbraw/zinc/18/58/05/241185805.db2.gz GWXFFCXVIQXDLD-QGZVFWFLSA-N 1 0 329.400 2.094 50 0 EEAARO O[C@@H](C[NH2+]C[C@@H](c1ccco1)N1CCCC1)COc1ccccc1 ZINC000022029673 212272668 /nfs/dbraw/zinc/27/26/68/212272668.db2.gz AEPMCVPISXPVSO-WMZOPIPTSA-N 1 0 330.428 2.446 50 0 EEAARO COCCN(Cc1ccccc1F)C(=O)NC[C@H]1CCCC[N@@H+]1C ZINC000426369885 241266996 /nfs/dbraw/zinc/26/69/96/241266996.db2.gz GLCMUOWKSYZXMA-MRXNPFEDSA-N 1 0 337.439 2.468 50 0 EEAARO Cc1nc([C@@H]2CCOC2)cc(N2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000426697316 241327026 /nfs/dbraw/zinc/32/70/26/241327026.db2.gz JEIIDHALDYHOCX-OAHLLOKOSA-N 1 0 325.416 2.011 50 0 EEAARO COCc1noc(CNC(=O)C2([NH+]3CCCCC3)CCCCC2)n1 ZINC000426535906 241306527 /nfs/dbraw/zinc/30/65/27/241306527.db2.gz PQWCNTCVYPJNLQ-UHFFFAOYSA-N 1 0 336.436 2.021 50 0 EEAARO O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000021642537 212235647 /nfs/dbraw/zinc/23/56/47/212235647.db2.gz MMOFZMOBRUTBIC-KRWDZBQOSA-N 1 0 329.444 2.032 50 0 EEAARO OC1(c2cn(CC3CC[NH+]([C@@H]4CCSC4)CC3)nn2)CCCC1 ZINC000020854554 212177640 /nfs/dbraw/zinc/17/76/40/212177640.db2.gz RHRXARPCUMCKOU-OAHLLOKOSA-N 1 0 336.505 2.257 50 0 EEAARO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cc3ncccn3n2)C1 ZINC000244872814 243087849 /nfs/dbraw/zinc/08/78/49/243087849.db2.gz WETVGSBEYMDVKR-MRXNPFEDSA-N 1 0 349.438 2.257 50 0 EEAARO O=C(CC[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)Nc1nnc(C2CC2)s1 ZINC000244873488 243092158 /nfs/dbraw/zinc/09/21/58/243092158.db2.gz WRFBUFCDAVSOFQ-GFCCVEGCSA-N 1 0 346.460 2.347 50 0 EEAARO O=C(CN1CC[NH+](C2CCCCC2)CC1)NC1Cc2ccccc2C1 ZINC000020533660 212145055 /nfs/dbraw/zinc/14/50/55/212145055.db2.gz QCLPAQMTVZXRQA-UHFFFAOYSA-N 1 0 341.499 2.220 50 0 EEAARO COc1ccc(S(=O)(=O)NCC2CC[NH+](C(C)C)CC2)cc1C ZINC000012441438 211383256 /nfs/dbraw/zinc/38/32/56/211383256.db2.gz NVZPHIBGWAIYNY-UHFFFAOYSA-N 1 0 340.489 2.402 50 0 EEAARO Cc1nc[nH]c1C[NH2+][C@@H]1CC(=O)N(CCc2cccc(Cl)c2)C1 ZINC000012306883 211341715 /nfs/dbraw/zinc/34/17/15/211341715.db2.gz LFTSGSLFJADNKK-OAHLLOKOSA-N 1 0 332.835 2.305 50 0 EEAARO O=C(c1cn([C@H]2CCC[N@H+](Cc3cccs3)C2)nn1)N1CCCC1 ZINC000012133010 211301594 /nfs/dbraw/zinc/30/15/94/211301594.db2.gz QZMRDQUAYNPRSP-AWEZNQCLSA-N 1 0 345.472 2.413 50 0 EEAARO Cc1nonc1OCCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000091411306 218002499 /nfs/dbraw/zinc/00/24/99/218002499.db2.gz JKCXVVUBADVSJF-UHFFFAOYSA-N 1 0 344.415 2.173 50 0 EEAARO Cn1cc(CC[N@@H+]2CC[C@@]3(C2)CCCN(C2CCCC2)C3=O)cn1 ZINC000091503799 218014226 /nfs/dbraw/zinc/01/42/26/218014226.db2.gz GKELBDYBOBSILZ-LJQANCHMSA-N 1 0 330.476 2.220 50 0 EEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2c[nH]nc2C2CCCCC2)CC1 ZINC000091625851 218034153 /nfs/dbraw/zinc/03/41/53/218034153.db2.gz SOTNZFZYKJOMPZ-LJQANCHMSA-N 1 0 348.491 2.376 50 0 EEAARO COc1ccc(CCC(=O)N2C[C@H]3CC[C@H](C[N@H+]3C)C2)cc1OC ZINC000091625890 218034455 /nfs/dbraw/zinc/03/44/55/218034455.db2.gz BEEBKMPTXRNELO-HZPDHXFCSA-N 1 0 332.444 2.189 50 0 EEAARO O=C(Cc1ccccn1)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091616478 218031219 /nfs/dbraw/zinc/03/12/19/218031219.db2.gz HVUFHZUHWAOWKV-QFBILLFUSA-N 1 0 336.439 2.142 50 0 EEAARO CCOC(=O)C1(CCOC)CC[NH+]([C@H](C)CCn2cccn2)CC1 ZINC000011719290 211240351 /nfs/dbraw/zinc/24/03/51/211240351.db2.gz RNDJVDPQJSNCDP-MRXNPFEDSA-N 1 0 337.464 2.344 50 0 EEAARO Cn1nccc1C(=O)N(CC[NH+](C)C)c1nc2c(cccc2F)s1 ZINC000011695046 211239258 /nfs/dbraw/zinc/23/92/58/211239258.db2.gz FXXKMXJVKUHGHN-UHFFFAOYSA-N 1 0 347.419 2.377 50 0 EEAARO COc1ccc2c(c1)OC[C@@H](CNC(=O)C[N@H+](C)C1CCCC1)C2 ZINC000091644640 218037657 /nfs/dbraw/zinc/03/76/57/218037657.db2.gz ZUSVZWSYVPCWJD-CQSZACIVSA-N 1 0 332.444 2.237 50 0 EEAARO Cc1noc2nc(C)cc(C(=O)N3C[C@H]([NH3+])[C@@H](c4ccccc4)C3)c12 ZINC000091845700 218075764 /nfs/dbraw/zinc/07/57/64/218075764.db2.gz SCFJSANIQYHONB-CVEARBPZSA-N 1 0 336.395 2.407 50 0 EEAARO c1cn(CCCc2ccccn2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091951036 218093270 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EEAARO Cc1nnc(N2CC[N@@H+](CC(C)C)[C@H](CCO)C2)c2ccccc12 ZINC001529197531 1121364725 /nfs/dbraw/zinc/36/47/25/1121364725.db2.gz RHXLEGRLUQCJAH-MRXNPFEDSA-N 1 0 328.460 2.467 50 0 EEAARO O=C(c1ccc(CSc2ncccn2)o1)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000055282742 214301548 /nfs/dbraw/zinc/30/15/48/214301548.db2.gz TZRACXKNWWHUGC-ZDUSSCGKSA-N 1 0 344.440 2.282 50 0 EEAARO Cc1cc(=O)c(C(=O)NC2CC[NH+](CCc3ccccc3)CC2)c[nH]1 ZINC000173936681 231074179 /nfs/dbraw/zinc/07/41/79/231074179.db2.gz YAIKFQVHZAPMFF-UHFFFAOYSA-N 1 0 339.439 2.120 50 0 EEAARO COc1cccc(-c2cccc(NC(=O)N[C@@H]3CC[NH2+]C[C@H]3O)c2)c1 ZINC000097813625 219057431 /nfs/dbraw/zinc/05/74/31/219057431.db2.gz HSFAAKDDWOXLEB-QZTJIDSGSA-N 1 0 341.411 2.207 50 0 EEAARO CCN1CCC([NH2+]C[C@H](O)COCc2ccc(Cl)cc2)CC1 ZINC000003354070 210016437 /nfs/dbraw/zinc/01/64/37/210016437.db2.gz PDGPWZUBCVIKIT-KRWDZBQOSA-N 1 0 326.868 2.291 50 0 EEAARO Cc1n[nH]c(C)c1CC[N@@H+]1CCC=C(CNC(=O)N2CCCCC2)C1 ZINC000067725804 215195880 /nfs/dbraw/zinc/19/58/80/215195880.db2.gz ZEBQLFIAVMSEJX-UHFFFAOYSA-N 1 0 345.491 2.397 50 0 EEAARO CC[C@]1(C2CC[NH2+]CC2)NC(=O)N(Cc2cccc(F)c2F)C1=O ZINC000067756313 215204905 /nfs/dbraw/zinc/20/49/05/215204905.db2.gz BVTVXKYXOOGNKZ-QGZVFWFLSA-N 1 0 337.370 2.165 50 0 EEAARO O=C(CC1CC1)NC[C@H]1CC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000067772426 215209364 /nfs/dbraw/zinc/20/93/64/215209364.db2.gz IYUYGRMEHWIGIQ-OAHLLOKOSA-N 1 0 339.439 2.266 50 0 EEAARO Cc1nc(-c2cn(CC[NH3+])nn2)n(-c2cc(Cl)ccc2Cl)n1 ZINC000067820091 215221616 /nfs/dbraw/zinc/22/16/16/215221616.db2.gz ACPQWXLISNDFOP-UHFFFAOYSA-N 1 0 338.202 2.100 50 0 EEAARO CC(=O)NC[C@@H]1CC[N@H+](Cc2cccc(-n3nc(C)cc3C)c2)C1 ZINC000067842399 215227669 /nfs/dbraw/zinc/22/76/69/215227669.db2.gz SRWRKPZSQZPIFX-SFHVURJKSA-N 1 0 326.444 2.447 50 0 EEAARO CN1CC[N@H+](C)CC12CCN(C(=O)C(C)(C)Nc1ccccc1)CC2 ZINC000067872904 215237152 /nfs/dbraw/zinc/23/71/52/215237152.db2.gz RRIQZEUYWMTSEO-UHFFFAOYSA-N 1 0 344.503 2.116 50 0 EEAARO Nc1nc2c(c(NCCc3cccc(C(F)(F)F)c3)n1)CC[NH2+]C2 ZINC000067880083 215238623 /nfs/dbraw/zinc/23/86/23/215238623.db2.gz RXBAHNOYVWCYTD-UHFFFAOYSA-N 1 0 337.349 2.378 50 0 EEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn(C)c3ccc(C)cc3c2=O)C1 ZINC000067895547 215243751 /nfs/dbraw/zinc/24/37/51/215243751.db2.gz JQAIIGCRLLOWET-HNNXBMFYSA-N 1 0 341.455 2.309 50 0 EEAARO O=S(=O)(NC[C@H]1CCC[N@H+](Cc2cc3ccccc3[nH]2)C1)C1CC1 ZINC000067896331 215244006 /nfs/dbraw/zinc/24/40/06/215244006.db2.gz TVNASBYBAMZGMW-CQSZACIVSA-N 1 0 347.484 2.462 50 0 EEAARO CCc1ccc(C[N@@H+]2CCC[C@H](CNC(=O)c3ccc(=O)[nH]c3)C2)o1 ZINC000067920801 215250862 /nfs/dbraw/zinc/25/08/62/215250862.db2.gz VZZKRNCFVCSUGO-CQSZACIVSA-N 1 0 343.427 2.172 50 0 EEAARO C[NH2+]C(C)(C)C(=O)NC[C@@H]1CC[N@H+](Cc2cc3ccccc3o2)C1 ZINC000067983012 215267565 /nfs/dbraw/zinc/26/75/65/215267565.db2.gz OIEBWJZZEPIYFV-AWEZNQCLSA-N 1 0 329.444 2.369 50 0 EEAARO CC(C)[N@@H+]1CCN(Cc2cnc(N3CCCC3)s2)C[C@H]1CCO ZINC000104310462 219373202 /nfs/dbraw/zinc/37/32/02/219373202.db2.gz LEDJXOPCUVSQRL-OAHLLOKOSA-N 1 0 338.521 2.020 50 0 EEAARO CC1(C)CN(C(=O)c2c[nH]c(C3CC[NH2+]CC3)n2)[C@H]1c1ccncc1 ZINC000685942582 539990501 /nfs/dbraw/zinc/99/05/01/539990501.db2.gz PFUBMDIWEZTFRX-INIZCTEOSA-N 1 0 339.443 2.495 50 0 EEAARO COCC[N@@H+](Cc1ccccc1OC)C[C@H](O)COC(C)(C)C ZINC000036096191 213062910 /nfs/dbraw/zinc/06/29/10/213062910.db2.gz RTSXROKIOZEJGY-INIZCTEOSA-N 1 0 325.449 2.320 50 0 EEAARO CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3ccc(F)cc3)C2)CC1 ZINC000035686504 213047006 /nfs/dbraw/zinc/04/70/06/213047006.db2.gz YUPDAGLQXHSBCI-CQSZACIVSA-N 1 0 347.434 2.121 50 0 EEAARO COc1ccccc1-n1nnnc1C1([NH3+])C2CC3CC(C2)CC1C3 ZINC000035615881 213043033 /nfs/dbraw/zinc/04/30/33/213043033.db2.gz NVDVEWGUHRLZDJ-UHFFFAOYSA-N 1 0 325.416 2.281 50 0 EEAARO Cc1cnc(C(=O)N2CC[NH+]([C@@H]3CCc4ccccc4C3)CC2)cn1 ZINC000072122320 216014781 /nfs/dbraw/zinc/01/47/81/216014781.db2.gz QMRPKAORQBKQOV-GOSISDBHSA-N 1 0 336.439 2.100 50 0 EEAARO COC(=O)CC[N@@H+]1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072154416 216044295 /nfs/dbraw/zinc/04/42/95/216044295.db2.gz CICVKKQARIUSHG-MISYRCLQSA-N 1 0 328.456 2.420 50 0 EEAARO C[NH+](C)CCNc1cc(-c2ccc(F)c(C(N)=O)c2)c2cc[nH]c2n1 ZINC000072165817 216055513 /nfs/dbraw/zinc/05/55/13/216055513.db2.gz KKDSFJNUKIZEDJ-UHFFFAOYSA-N 1 0 341.390 2.441 50 0 EEAARO C[NH+](C)C[C@@]1(O)CCN(C(=O)Cc2ccc(Cl)c(Cl)c2)C1 ZINC000072169445 216060464 /nfs/dbraw/zinc/06/04/64/216060464.db2.gz JDIBZUZLQUPZRR-HNNXBMFYSA-N 1 0 331.243 2.061 50 0 EEAARO O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000107136881 296013761 /nfs/dbraw/zinc/01/37/61/296013761.db2.gz DHCNJJOJCJRQRS-QPSCCSFWSA-N 1 0 348.409 2.413 50 0 EEAARO Cc1csc(CCCNc2nc(N(C)C)nc3c2CC[NH2+]CC3)n1 ZINC000072422763 216211573 /nfs/dbraw/zinc/21/15/73/216211573.db2.gz VZVMLKRCAFQCLA-UHFFFAOYSA-N 1 0 346.504 2.040 50 0 EEAARO CCOCc1nc2c(c(N3CCc4ccccc4C3)n1)CC[NH2+]CC2 ZINC000072432089 216224830 /nfs/dbraw/zinc/22/48/30/216224830.db2.gz GOXLSAUKDRKVBX-UHFFFAOYSA-N 1 0 338.455 2.264 50 0 EEAARO C[C@@H]1Cc2cc(NC(=O)CCc3cc4n(n3)CCC[NH2+]C4)ccc2O1 ZINC000072431984 216225890 /nfs/dbraw/zinc/22/58/90/216225890.db2.gz SOUFKKRCUKSFPH-CYBMUJFWSA-N 1 0 340.427 2.271 50 0 EEAARO c1csc(C[N@@H+]2CCc3ncnc(N4CCCOCC4)c3CC2)c1 ZINC000072473719 216249829 /nfs/dbraw/zinc/24/98/29/216249829.db2.gz JMNDYHKWPCIWIU-UHFFFAOYSA-N 1 0 344.484 2.366 50 0 EEAARO CCc1nc2c(c(NCc3cn4ccsc4n3)n1)CC[NH2+]CC2 ZINC000072473476 216250622 /nfs/dbraw/zinc/25/06/22/216250622.db2.gz LHOANFLSFKXOAW-UHFFFAOYSA-N 1 0 328.445 2.049 50 0 EEAARO CSc1ccc(C[NH+]2CCC(n3cc(CCO)nn3)CC2)cc1 ZINC000023541276 212381495 /nfs/dbraw/zinc/38/14/95/212381495.db2.gz YDTHQZCRNQHXET-UHFFFAOYSA-N 1 0 332.473 2.372 50 0 EEAARO O=C(NCC1CC[NH+](Cc2ccccc2)CC1)C(=O)NC1CCCC1 ZINC000023127417 212351180 /nfs/dbraw/zinc/35/11/80/212351180.db2.gz WILIYXIUBQXSJZ-UHFFFAOYSA-N 1 0 343.471 2.074 50 0 EEAARO CC[NH+](CC)[C@H](CNC(=O)c1ccc[n+]([O-])c1)c1cccc(OC)c1 ZINC000022700542 212318533 /nfs/dbraw/zinc/31/85/33/212318533.db2.gz LJHUFHJYNXYEEJ-GOSISDBHSA-N 1 0 343.427 2.142 50 0 EEAARO O=C(C[C@@H]1C[NH2+]CCO1)N(CCc1ccccc1)Cc1cccnc1 ZINC000215747930 241143710 /nfs/dbraw/zinc/14/37/10/241143710.db2.gz PNUBFAZAFGBYCV-LJQANCHMSA-N 1 0 339.439 2.031 50 0 EEAARO Cc1ccc(C(=O)NCCc2nc3c(s2)CCC3)cc1OCC[NH3+] ZINC000426683958 241326030 /nfs/dbraw/zinc/32/60/30/241326030.db2.gz SSEZUOGETMACPE-UHFFFAOYSA-N 1 0 345.468 2.250 50 0 EEAARO Cc1ccccc1[C@@H](O)CNC(=O)c1cc(F)ccc1OCCC[NH3+] ZINC000426474247 241292975 /nfs/dbraw/zinc/29/29/75/241292975.db2.gz KPQJFCDONMVJEY-KRWDZBQOSA-N 1 0 346.402 2.325 50 0 EEAARO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OCCO)C[C@H]23)cc1 ZINC000426478175 241294194 /nfs/dbraw/zinc/29/41/94/241294194.db2.gz VFRATUSVUKOPLP-CEXWTWQISA-N 1 0 335.444 2.216 50 0 EEAARO O=C(CSCC[NH+]1CCCC1)N1CC(Oc2ccccc2F)C1 ZINC000218800311 241346132 /nfs/dbraw/zinc/34/61/32/241346132.db2.gz LXFNXGKSRGJEDO-UHFFFAOYSA-N 1 0 338.448 2.244 50 0 EEAARO O=C(CN1Cc2ccccc2C1=O)NC[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000230208387 242249467 /nfs/dbraw/zinc/24/94/67/242249467.db2.gz XVHLCYVSHPNGEO-YJBOKZPZSA-N 1 0 341.455 2.023 50 0 biogenic EEAARO CC(=O)Nc1cccc(NC(=O)CCN2CCC[N@@H+]3CCC[C@H]3C2)c1 ZINC000244794718 243082701 /nfs/dbraw/zinc/08/27/01/243082701.db2.gz QSINETFCFWREDW-SFHVURJKSA-N 1 0 344.459 2.144 50 0 EEAARO Cc1nccn1CC1CCN(c2cc([C@H]3C[C@H]([NH3+])C3)nc(C)n2)CC1 ZINC000244828637 243089263 /nfs/dbraw/zinc/08/92/63/243089263.db2.gz TZWUGIMWZGJKPB-QAQDUYKDSA-N 1 0 340.475 2.411 50 0 EEAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccncc3)C[C@@H]2CCO)cc1 ZINC000020600804 212150819 /nfs/dbraw/zinc/15/08/19/212150819.db2.gz WPTSWTVIGHRJRX-FQEVSTJZSA-N 1 0 325.456 2.459 50 0 EEAARO CC[NH+]1CCN(CCNC(=O)c2ccc3c(c2)c(C)c(C)n3C)CC1 ZINC000020583774 212149900 /nfs/dbraw/zinc/14/99/00/212149900.db2.gz XSAAXGXKNWBPTJ-UHFFFAOYSA-N 1 0 342.487 2.162 50 0 EEAARO O=C1C[C@H]([NH2+]C[C@@H](O)c2ccccc2)C(=O)N1c1ccc(Cl)cc1 ZINC000020494957 212139978 /nfs/dbraw/zinc/13/99/78/212139978.db2.gz BBRLJLXEHHYMHB-JKSUJKDBSA-N 1 0 344.798 2.295 50 0 EEAARO O=c1cc(CN2C[C@H](O)[C@@H]([NH+]3CCCCC3)C2)[nH]c2c(F)cccc12 ZINC000253536986 244016862 /nfs/dbraw/zinc/01/68/62/244016862.db2.gz SHCLBQWMHGWJRE-WMZOPIPTSA-N 1 0 345.418 2.111 50 0 EEAARO CC[NH+]1CCN(CCOCCOc2ccc(CCC(C)=O)cc2)CC1 ZINC000020389865 212124446 /nfs/dbraw/zinc/12/44/46/212124446.db2.gz ZPBPJXDCZUNRGB-UHFFFAOYSA-N 1 0 348.487 2.241 50 0 EEAARO NS(=O)(=O)c1ccc(CC[NH2+]Cc2c(F)cccc2Cl)cc1 ZINC000019871810 212077749 /nfs/dbraw/zinc/07/77/49/212077749.db2.gz YXNQQDSNESNEGR-UHFFFAOYSA-N 1 0 342.823 2.459 50 0 EEAARO Cn1nncc1C[NH2+]C[C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000110697467 220058046 /nfs/dbraw/zinc/05/80/46/220058046.db2.gz XOPYNWXSWRWJJP-LRDDRELGSA-N 1 0 337.830 2.390 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ncc[nH]2)CC1 ZINC000012316389 211345101 /nfs/dbraw/zinc/34/51/01/211345101.db2.gz OHJACFQFLCJHNE-KRWDZBQOSA-N 1 0 347.507 2.002 50 0 EEAARO C[C@@]1(C2CC[NH+](Cc3ccc4ncccc4c3)CC2)NC(=O)NC1=O ZINC000012099830 211291832 /nfs/dbraw/zinc/29/18/32/211291832.db2.gz DBWKVFPZNUQBTG-IBGZPJMESA-N 1 0 338.411 2.045 50 0 EEAARO C[C@H]1CCCC[N@@H+]1C1CN(C(=O)c2cc(-c3ccccc3O)n[nH]2)C1 ZINC000091444743 218007009 /nfs/dbraw/zinc/00/70/09/218007009.db2.gz LIIIKHJRFKATLR-ZDUSSCGKSA-N 1 0 340.427 2.481 50 0 EEAARO Cc1nc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cs1 ZINC000091621412 218033608 /nfs/dbraw/zinc/03/36/08/218033608.db2.gz VXZFGIPYCHFDBQ-HUUCEWRRSA-N 1 0 337.489 2.008 50 0 EEAARO [NH3+][C@@H](Cc1cnc[nH]1)C(=O)N1CCC(CCc2ccccc2)CC1 ZINC000091695339 218050575 /nfs/dbraw/zinc/05/05/75/218050575.db2.gz IANKVLQYBWEALS-SFHVURJKSA-N 1 0 326.444 2.151 50 0 EEAARO Cc1ccc(C)c2c(=O)cc(C[NH2+]Cc3cnn4cccnc34)[nH]c12 ZINC000091649906 218040228 /nfs/dbraw/zinc/04/02/28/218040228.db2.gz XBRQMAYLVVWPEP-UHFFFAOYSA-N 1 0 333.395 2.477 50 0 EEAARO Nc1cc(C(=O)N[C@H]2CCC[N@H+](CCCc3ccccc3)C2)ccn1 ZINC000011753798 211243773 /nfs/dbraw/zinc/24/37/73/211243773.db2.gz RPXSRQKMGUBMNJ-SFHVURJKSA-N 1 0 338.455 2.491 50 0 EEAARO CC(C)n1cc(C(=O)N2C[C@H](CO)[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000091950912 218093037 /nfs/dbraw/zinc/09/30/37/218093037.db2.gz JSTPEPDJLCRZEM-QZTJIDSGSA-N 1 0 348.491 2.021 50 0 EEAARO CCOC(=O)N1CCC([NH2+]C[C@H]2COc3c(cccc3OC)C2)CC1 ZINC000095364713 218297894 /nfs/dbraw/zinc/29/78/94/218297894.db2.gz RUSKIKVKCCKPMN-AWEZNQCLSA-N 1 0 348.443 2.457 50 0 EEAARO Cc1cccc2cc(C(=O)NC[C@@H](O)C[NH+]3CCCCCC3)n(C)c21 ZINC000095380395 218311988 /nfs/dbraw/zinc/31/19/88/218311988.db2.gz JKEJLNPONLGGEA-QGZVFWFLSA-N 1 0 343.471 2.453 50 0 EEAARO COCCC[N@@H+](Cc1cccn1C)C[C@H](O)COCc1ccccc1 ZINC000004910197 210320932 /nfs/dbraw/zinc/32/09/32/210320932.db2.gz JFRVNEZZRYUTPF-FQEVSTJZSA-N 1 0 346.471 2.441 50 0 EEAARO CC1(C)C[C@H](C[NH+]2CCN(c3ccc4nccn4n3)CC2)CCO1 ZINC000097447050 219025358 /nfs/dbraw/zinc/02/53/58/219025358.db2.gz ILYQVJPZTOLVMY-OAHLLOKOSA-N 1 0 329.448 2.057 50 0 EEAARO COc1ccc(Br)cc1C[NH2+]CC1(O)CCOCC1 ZINC000112717058 220385502 /nfs/dbraw/zinc/38/55/02/220385502.db2.gz HCMUJTDNBULJPR-UHFFFAOYSA-N 1 0 330.222 2.089 50 0 EEAARO CC(C)=CC[N@@H+]1CCN(Cc2ccc(NC(C)=O)cc2)C[C@H]1CCO ZINC000036385790 258003596 /nfs/dbraw/zinc/00/35/96/258003596.db2.gz HKCDHMTXIIXYJN-HXUWFJFHSA-N 1 0 345.487 2.480 50 0 EEAARO O=C(NCC[N@H+]1CCCC[C@H]1CO)c1cccc(-c2ccncc2)c1 ZINC000299771906 258084118 /nfs/dbraw/zinc/08/41/18/258084118.db2.gz XSKNXYZMUDYOBP-IBGZPJMESA-N 1 0 339.439 2.325 50 0 EEAARO Cc1ncn(CC(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)c1C ZINC000299793435 258098637 /nfs/dbraw/zinc/09/86/37/258098637.db2.gz IAISAZIZVYSJAE-SFHVURJKSA-N 1 0 326.444 2.015 50 0 EEAARO COc1ccc(C)c(NC(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000299799138 258102901 /nfs/dbraw/zinc/10/29/01/258102901.db2.gz SUBGAKJYLOYHFH-UHFFFAOYSA-N 1 0 346.475 2.153 50 0 EEAARO Cc1cc(F)cc(NC(=O)NCC2(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000299802979 258105744 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CCN(C(=O)CCNC(C)=O)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106630844 276060445 /nfs/dbraw/zinc/06/04/45/276060445.db2.gz PFDFIDVYRVZRQI-CRAIPNDOSA-N 1 0 331.460 2.197 50 0 EEAARO CS(=O)(=O)N[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000130184192 277499242 /nfs/dbraw/zinc/49/92/42/277499242.db2.gz TZARUKHKBGUCHK-YVECIDJPSA-N 1 0 342.427 2.415 50 0 EEAARO C[C@@H]([NH2+]CC(=O)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1-n1cccn1 ZINC000110706513 278338152 /nfs/dbraw/zinc/33/81/52/278338152.db2.gz QOCRLNJZMDOPTN-OWCLPIDISA-N 1 0 342.443 2.159 50 0 EEAARO Cc1ccccc1-c1cc(O)c2c(c1)CN(C(=O)[C@@H](C)[NH3+])CCO2 ZINC000067788743 302074222 /nfs/dbraw/zinc/07/42/22/302074222.db2.gz ZRNRJJBJZCYOKV-CYBMUJFWSA-N 1 0 326.396 2.436 50 0 EEAARO O=S(=O)(c1ccccc1C(F)(F)F)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000067878197 304778908 /nfs/dbraw/zinc/77/89/08/304778908.db2.gz UXVNHTDPWPMCAQ-CQSZACIVSA-N 1 0 348.390 2.470 50 0 EEAARO Cn1cc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H](C(F)(F)F)C3)C2=O)cn1 ZINC000127940979 462596322 /nfs/dbraw/zinc/59/63/22/462596322.db2.gz SJKJQJUSMXCMHW-LOWVWBTDSA-N 1 0 330.354 2.236 50 0 EEAARO C[NH+](C)CCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000007612657 462742596 /nfs/dbraw/zinc/74/25/96/462742596.db2.gz OAYBXPAONCUYSC-UHFFFAOYSA-N 1 0 330.759 2.199 50 0 EEAARO c1ccc(C[N@H+]2CC[C@H](NCc3nc(-c4cccnc4)no3)C2)cc1 ZINC000065383210 462760876 /nfs/dbraw/zinc/76/08/76/462760876.db2.gz DZJNEWCEOFSQPZ-KRWDZBQOSA-N 1 0 335.411 2.496 50 0 EEAARO Cc1c(C(=O)NCCNc2cc(C)cc[nH+]2)cnn1-c1ccccn1 ZINC000065385327 462761058 /nfs/dbraw/zinc/76/10/58/462761058.db2.gz CJURMPYXQNHMKJ-UHFFFAOYSA-N 1 0 336.399 2.121 50 0 EEAARO CC(=O)Nc1ccc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)cc1 ZINC000065527077 462790314 /nfs/dbraw/zinc/79/03/14/462790314.db2.gz JQJKKHLEBLUSEP-IBGZPJMESA-N 1 0 331.460 2.332 50 0 EEAARO CCNc1cc(C)[nH+]c(N2CCN(C(=O)c3ccccc3F)CC2)n1 ZINC000009620305 462805467 /nfs/dbraw/zinc/80/54/67/462805467.db2.gz KFWOEBUXORTLGR-UHFFFAOYSA-N 1 0 343.406 2.318 50 0 EEAARO 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/nfs/dbraw/zinc/38/08/90/463380890.db2.gz XKNDJPVXPKMTLY-OAHLLOKOSA-N 1 0 326.404 2.156 50 0 EEAARO O=C(NC1CC1)[C@H]1CCC[N@@H+](C2CCN(Cc3cscn3)CC2)C1 ZINC000071764065 463423104 /nfs/dbraw/zinc/42/31/04/463423104.db2.gz SPZCZFZKDFJROS-AWEZNQCLSA-N 1 0 348.516 2.098 50 0 EEAARO Cc1ccc(C2(O)CC[NH+]([C@H]3CCOC4(CCOCC4)C3)CC2)nc1 ZINC000082108152 463515887 /nfs/dbraw/zinc/51/58/87/463515887.db2.gz MRJMKTLPQKHRBO-KRWDZBQOSA-N 1 0 346.471 2.402 50 0 EEAARO COc1cccc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCCO)C3)C2)c1 ZINC000082133592 463516547 /nfs/dbraw/zinc/51/65/47/463516547.db2.gz RWTGQWALMARWTE-HXUWFJFHSA-N 1 0 346.471 2.282 50 0 EEAARO CCN(C(=O)COCCOC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106756095 463533687 /nfs/dbraw/zinc/53/36/87/463533687.db2.gz SVHGJGNMLUPKDZ-SJLPKXTDSA-N 1 0 334.460 2.333 50 0 EEAARO CCc1nnc(CN(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)o1 ZINC000299774164 465885651 /nfs/dbraw/zinc/88/56/51/465885651.db2.gz BPLSOEIPTNPBPT-HNNXBMFYSA-N 1 0 328.416 2.255 50 0 EEAARO Cc1c(O)ccc(-c2cccc(C(=O)NC[C@H](O)C[NH+](C)C)c2)c1C ZINC000584886485 468955677 /nfs/dbraw/zinc/95/56/77/468955677.db2.gz PAYMICHWLRLQRK-KRWDZBQOSA-N 1 0 342.439 2.328 50 0 EEAARO O=C(C[C@@H]1CCOC1)N1CC[NH+](C2C3CC4CC(C3)CC2C4)CC1 ZINC000584902756 468960031 /nfs/dbraw/zinc/96/00/31/468960031.db2.gz GFEZUYIPECPKNH-SHNPODPLSA-N 1 0 332.488 2.382 50 0 EEAARO CCc1noc(CC[NH2+]C2CCN(C(=O)c3cccs3)CC2)n1 ZINC000584901634 468960291 /nfs/dbraw/zinc/96/02/91/468960291.db2.gz MDSVTILWSAZISH-UHFFFAOYSA-N 1 0 334.445 2.130 50 0 EEAARO O=C(NC[C@H]1CCC[N@@H+](CCO)C1)N1CC=C(c2ccccc2)CC1 ZINC000534634354 485549216 /nfs/dbraw/zinc/54/92/16/485549216.db2.gz OFVQGPROOYKCNT-QGZVFWFLSA-N 1 0 343.471 2.190 50 0 EEAARO CCC[NH+]1CCC(CCNC(=O)N2CCc3[nH]c(C)nc3C2)CC1 ZINC000426440207 535350845 /nfs/dbraw/zinc/35/08/45/535350845.db2.gz CBSXIJKGOHKYDR-UHFFFAOYSA-N 1 0 333.480 2.298 50 0 EEAARO CN(C(=O)NCC1(c2ccccc2)CC[NH+](C)CC1)C1CCOCC1 ZINC000426411269 536022813 /nfs/dbraw/zinc/02/28/13/536022813.db2.gz HUKJKCAQXLCHIV-UHFFFAOYSA-N 1 0 345.487 2.470 50 0 EEAARO CCc1ccc(CN(C)c2cc(C3CC([NH3+])C3)nc(N(C)C)n2)nc1 ZINC000223393706 536172438 /nfs/dbraw/zinc/17/24/38/536172438.db2.gz QGUWWHWILPNLNS-UHFFFAOYSA-N 1 0 340.475 2.341 50 0 EEAARO Cc1ncc(CO)c(C[N@@H+]2CCC[C@H](C(=O)c3ccccn3)C2)c1O ZINC000067981904 676489169 /nfs/dbraw/zinc/48/91/69/676489169.db2.gz LIFGVQQYFQPNGL-AWEZNQCLSA-N 1 0 341.411 2.078 50 0 EEAARO OC[C@@H](O)C1CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC001772707035 1179294083 /nfs/dbraw/zinc/29/40/83/1179294083.db2.gz PAAHAFWBQOPPLM-HXUWFJFHSA-N 1 0 342.439 2.226 50 0 EEAARO CC(=O)NCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC000012712110 1221903863 /nfs/dbraw/zinc/90/38/63/1221903863.db2.gz UXDRLBOUMAIDQH-IBGZPJMESA-N 1 0 335.492 2.017 50 0 EEAARO Cc1nc(CC[NH+]2CCC([C@H](O)c3nccn3C)CC2)c(C)s1 ZINC000020865463 1229627469 /nfs/dbraw/zinc/62/74/69/1229627469.db2.gz GJFYIRFBQRZSME-INIZCTEOSA-N 1 0 334.489 2.482 50 0 EEAARO COCC(=O)Nc1ccc(NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC000072866169 1253590883 /nfs/dbraw/zinc/59/08/83/1253590883.db2.gz JXPSNPBXZAMUQB-UHFFFAOYSA-N 1 0 333.432 2.330 50 0 EEAARO NC(=O)[C@H]1CCC[N@H+](CCCNc2nnc(-c3ccccc3)s2)C1 ZINC000090089000 1357010645 /nfs/dbraw/zinc/01/06/45/1357010645.db2.gz FSZBKHXSQRKKCV-AWEZNQCLSA-N 1 0 345.472 2.204 50 0 EEAARO Cc1[nH+]c([C@H]2CC(=O)NCc3nc4ccccn4c32)c2ccccn12 ZINC000199336893 783016957 /nfs/dbraw/zinc/01/69/57/783016957.db2.gz BGZMMWMLVHDIAG-CYBMUJFWSA-N 1 0 331.379 2.442 50 0 EEAARO CCC(=O)Nc1cccc(C(=O)NCCC[N@@H+]2CCCC[C@@H]2CO)c1 ZINC000063835293 793916645 /nfs/dbraw/zinc/91/66/45/793916645.db2.gz QZCOFZKVMVZABI-QGZVFWFLSA-N 1 0 347.459 2.002 50 0 EEAARO CCOc1ccc(C[C@@H]2CC[C@H](C[N@H+](C)Cc3cccnc3)O2)nn1 ZINC000952854444 796034406 /nfs/dbraw/zinc/03/44/06/796034406.db2.gz QPKFJTKKRFUZSV-ZWKOTPCHSA-N 1 0 342.443 2.492 50 0 EEAARO CN(C)CC(=O)Nc1ccc(NC(=O)CCC2CC[NH+](C)CC2)cc1 ZINC000952974442 796117053 /nfs/dbraw/zinc/11/70/53/796117053.db2.gz ZEODWBSIGMQMGI-UHFFFAOYSA-N 1 0 346.475 2.247 50 0 EEAARO Cc1ccccc1N1CCC([NH2+]CCN2CCC[C@H](CO)C2)CC1 ZINC000952977747 796123994 /nfs/dbraw/zinc/12/39/94/796123994.db2.gz OWTNOMSGIPXSPX-SFHVURJKSA-N 1 0 331.504 2.258 50 0 EEAARO COc1ccc(-n2cnnc2)cc1NC(=O)C[NH+]1CCCCCC1 ZINC000952980041 796127613 /nfs/dbraw/zinc/12/76/13/796127613.db2.gz XAUBGRMZTBDCEP-UHFFFAOYSA-N 1 0 329.404 2.090 50 0 EEAARO COc1cccc(Oc2ccc(NC(=O)[C@@H]3C[C@H]([NH3+])CN3C)cc2)c1 ZINC000952986821 796153402 /nfs/dbraw/zinc/15/34/02/796153402.db2.gz IPRRJNSKGQTPMK-UGSOOPFHSA-N 1 0 341.411 2.457 50 0 EEAARO C[C@H](O)C[NH2+]Cc1cc2ccc(F)cc2n(Cc2ccccn2)c1=O ZINC000012049564 799687055 /nfs/dbraw/zinc/68/70/55/799687055.db2.gz NVKPWYOTXHYXJT-ZDUSSCGKSA-N 1 0 341.386 2.054 50 0 EEAARO C=CCN1C(=O)C[C@H](C(=O)OC)C12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000012281701 800688520 /nfs/dbraw/zinc/68/85/20/800688520.db2.gz DPPXSRPRXYHGPP-MRXNPFEDSA-N 1 0 346.427 2.130 50 0 EEAARO O=C1C[C@@H]([NH2+]C2CSCCSC2)CN1c1ccc(F)cc1 ZINC001506396016 1114595281 /nfs/dbraw/zinc/59/52/81/1114595281.db2.gz LWKLMQPDGGJBBG-GFCCVEGCSA-N 1 0 326.462 2.369 50 0 EEAARO CN1CCC([N@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)CC1 ZINC001529119461 1121324728 /nfs/dbraw/zinc/32/47/28/1121324728.db2.gz HZLGQPBDVJOZQP-OXQOHEQNSA-N 1 0 325.456 2.164 50 0 EEAARO Cc1ccc(C(=O)Nc2nnc(CC[NH+](C)C)s2)n1C(F)F ZINC001529181326 1121356446 /nfs/dbraw/zinc/35/64/46/1121356446.db2.gz RHTCTIRUQQOODL-UHFFFAOYSA-N 1 0 329.376 2.400 50 0 EEAARO Cc1nnc(NC(=O)N2CCCN(c3cc[nH+]cc3C)CC2)s1 ZINC000055089538 214271376 /nfs/dbraw/zinc/27/13/76/214271376.db2.gz CJGVGBOXDPLTJN-UHFFFAOYSA-N 1 0 332.433 2.294 50 0 EEAARO Cc1nonc1OCCNC(=O)c1ccc([C@H](C)[NH+]2CCCCC2)o1 ZINC000055341978 214310159 /nfs/dbraw/zinc/31/01/59/214310159.db2.gz HBRJUBCJCVZGHU-ZDUSSCGKSA-N 1 0 348.403 2.327 50 0 EEAARO CC[NH+](CC)CCCNC(=O)c1cc2cccc(OC)c2oc1=O ZINC000004475982 210197120 /nfs/dbraw/zinc/19/71/20/210197120.db2.gz UFOJJJOTMRBSJJ-UHFFFAOYSA-N 1 0 332.400 2.263 50 0 EEAARO Cn1nc(CO)c2c1CCN(Cc1ccc([C@@H]3CCCO3)s1)C2 ZINC000102539634 219208789 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O[C@@H]1CCC[N@H+](CCCn2ccnc2-c2ccc3c(c2)CCO3)C1 ZINC000067967760 215261988 /nfs/dbraw/zinc/26/19/88/215261988.db2.gz BCOXYYDWFQFWRX-QGZVFWFLSA-N 1 0 327.428 2.332 50 0 EEAARO CC[N@@H+]1CCC[C@@H](CNC(=O)/C=C\c2ccc(C(=O)OC)cc2)C1 ZINC000103475779 219303897 /nfs/dbraw/zinc/30/38/97/219303897.db2.gz MDSOPBSVXLQMDY-CLOOOTJHSA-N 1 0 330.428 2.335 50 0 EEAARO Cc1nnsc1SCCNc1cc([C@@H]2CCC[NH2+]C2)ncn1 ZINC000039358104 213234067 /nfs/dbraw/zinc/23/40/67/213234067.db2.gz ZGSGXJNUCLEANP-LLVKDONJSA-N 1 0 336.490 2.308 50 0 EEAARO CCn1nc(CO)c2c1CCN(C[C@@H]1CCC[N@@H+]3CCCC[C@H]13)C2 ZINC000072121640 216014278 /nfs/dbraw/zinc/01/42/78/216014278.db2.gz QEPOHJDPXIDCNK-MAUKXSAKSA-N 1 0 332.492 2.018 50 0 EEAARO Cc1ncc2c(c1CNC(=O)[C@@H](O)c1ccccc1Cl)CC[NH2+]C2 ZINC000072156209 216045081 /nfs/dbraw/zinc/04/50/81/216045081.db2.gz OCDNQQJXKQMBMG-KRWDZBQOSA-N 1 0 345.830 2.039 50 0 EEAARO CNC(=O)Oc1ccc(-c2c[n+]3cc(NC(C)=O)ccc3n2C)cc1 ZINC000000387386 209566643 /nfs/dbraw/zinc/56/66/43/209566643.db2.gz TXWSYVWLVKYOPD-UHFFFAOYSA-O 1 0 339.375 2.107 50 0 EEAARO O[C@H](c1ccccc1)C1CCN(c2ncnc3c2CC[NH2+]CC3)CC1 ZINC000072473174 216249591 /nfs/dbraw/zinc/24/95/91/216249591.db2.gz IGVRFJZATINNLL-LJQANCHMSA-N 1 0 338.455 2.115 50 0 EEAARO CC[NH+]1CCN(C[C@H](O)COc2cc(Cl)ccc2Cl)CC1 ZINC000023257116 212365361 /nfs/dbraw/zinc/36/53/61/212365361.db2.gz UHVWCIOTEISHGT-ZDUSSCGKSA-N 1 0 333.259 2.371 50 0 EEAARO CCn1nc(C)c(CN2CC[N@H+](C3CCCC3)[C@H](CCO)C2)c1C ZINC000022853414 212329284 /nfs/dbraw/zinc/32/92/84/212329284.db2.gz AJHMBCOWFXCJEZ-GOSISDBHSA-N 1 0 334.508 2.331 50 0 EEAARO CC[NH+]1CCN(C[C@H](O)CO[C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000022461354 212298580 /nfs/dbraw/zinc/29/85/80/212298580.db2.gz KVOWRJFVDKLSCJ-FCGDIQPGSA-N 1 0 326.525 2.462 50 0 EEAARO O=C(NCc1ccc2c(c1)CCO2)C1CC[NH+](C2CCOCC2)CC1 ZINC000426372506 241267615 /nfs/dbraw/zinc/26/76/15/241267615.db2.gz SLHWTSNTGGONPB-UHFFFAOYSA-N 1 0 344.455 2.129 50 0 EEAARO Cn1cc(CN(C(=O)c2cc(Cl)ccc2OCC[NH3+])C2CC2)cn1 ZINC000426376601 241270280 /nfs/dbraw/zinc/27/02/80/241270280.db2.gz YSLAVQSAXBRQML-UHFFFAOYSA-N 1 0 348.834 2.216 50 0 EEAARO Cc1ccc(F)c(-c2ccc(C(=O)NC[C@]3(O)CC[NH2+]C3)cc2)c1 ZINC000426489614 241297431 /nfs/dbraw/zinc/29/74/31/241297431.db2.gz JUVPIWWJOFKOTL-IBGZPJMESA-N 1 0 328.387 2.255 50 0 EEAARO O=C(C[N@@H+]1CC[C@]2(C1)CCCN(CC1CCCCC1)C2=O)NC1CC1 ZINC000426504031 241299151 /nfs/dbraw/zinc/29/91/51/241299151.db2.gz POARHKUEYYAMTG-FQEVSTJZSA-N 1 0 347.503 2.160 50 0 EEAARO Cc1cc(CNC(=O)N2CCC([N@@H+]3CCC[C@H](O)C3)CC2)ccc1F ZINC000426504057 241299254 /nfs/dbraw/zinc/29/92/54/241299254.db2.gz RGEYSIPAUVSNKG-KRWDZBQOSA-N 1 0 349.450 2.265 50 0 EEAARO O=C(NCc1cc(Cl)ccc1Cl)NC[C@H](O)C[NH+]1CCCC1 ZINC000426509540 241302311 /nfs/dbraw/zinc/30/23/11/241302311.db2.gz SMYFGJOWQFGROF-ZDUSSCGKSA-N 1 0 346.258 2.249 50 0 EEAARO COc1ccc(Nc2nc(NCC[NH+](C)C)nc3c2cnn3C)cc1 ZINC000021928713 212263447 /nfs/dbraw/zinc/26/34/47/212263447.db2.gz PBKLQWRVIRZSRN-UHFFFAOYSA-N 1 0 341.419 2.089 50 0 EEAARO CCCc1cc(-c2nc(-c3c(C)ncc4c3CC[NH2+]C4)no2)n(C)n1 ZINC000020868526 212179600 /nfs/dbraw/zinc/17/96/00/212179600.db2.gz NPKXPKGFZXSXRS-UHFFFAOYSA-N 1 0 338.415 2.439 50 0 EEAARO Cc1nccn1CCN(C)c1cc([C@H]2C[C@H]([NH3+])C2)nc(C2CC2)n1 ZINC000244874990 243095210 /nfs/dbraw/zinc/09/52/10/243095210.db2.gz XKPYKPFBXNTOHH-SHTZXODSSA-N 1 0 326.448 2.200 50 0 EEAARO O=c1cc(C[N@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)[nH]c2c(F)cccc12 ZINC000253536978 244017711 /nfs/dbraw/zinc/01/77/11/244017711.db2.gz SDXQPWPCPRNBKS-NEPJUHHUSA-N 1 0 329.375 2.180 50 0 EEAARO CCn1ccnc1CN1CC[N@H+](CC2CCCCC2)[C@@H](CCO)C1 ZINC000020452966 212130875 /nfs/dbraw/zinc/13/08/75/212130875.db2.gz CHCHDXYQXBVRHU-SFHVURJKSA-N 1 0 334.508 2.352 50 0 EEAARO O[C@H]1CCCC[C@@H]1[NH+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000020388483 212124615 /nfs/dbraw/zinc/12/46/15/212124615.db2.gz PGKKCAQYJMIPIP-OALUTQOASA-N 1 0 340.471 2.498 50 0 EEAARO COc1cc(C(=O)N[C@@H]2CCCN(C3CC[NH+](C)CC3)C2)ccc1C ZINC000020206720 212112146 /nfs/dbraw/zinc/11/21/46/212112146.db2.gz QKRLCWWFCNYYNE-QGZVFWFLSA-N 1 0 345.487 2.292 50 0 EEAARO CCOc1cc2c(cc1C[NH+]1CCC(CC(N)=O)CC1)O[C@@H](C)C2 ZINC000078575658 217079950 /nfs/dbraw/zinc/07/99/50/217079950.db2.gz APYKZGFFARTJFJ-ZDUSSCGKSA-N 1 0 332.444 2.496 50 0 EEAARO CC[NH+](CC)CCNC(=O)c1c(=O)cc(C)n(C)c1CC1CCCC1 ZINC000012331971 211349117 /nfs/dbraw/zinc/34/91/17/211349117.db2.gz JBXNAPCBAZZWHO-UHFFFAOYSA-N 1 0 347.503 2.498 50 0 EEAARO CCN(CC)C(=O)c1cn(C[C@H]2CCC[N@H+](Cc3ccoc3)C2)nn1 ZINC000012162045 211309067 /nfs/dbraw/zinc/30/90/67/211309067.db2.gz MYKJHVFUJPJFFK-HNNXBMFYSA-N 1 0 345.447 2.265 50 0 EEAARO COC(=O)CCCC(=O)N[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000011933588 211269225 /nfs/dbraw/zinc/26/92/25/211269225.db2.gz CCKLRESWQVZXCO-QGZVFWFLSA-N 1 0 344.455 2.078 50 0 EEAARO CC(C)(C)CN1CCC[C@](O)(C[NH2+]C2Cc3ccccc3C2)C1=O ZINC000011661210 211230588 /nfs/dbraw/zinc/23/05/88/211230588.db2.gz MMZATCLSZNQBBG-FQEVSTJZSA-N 1 0 330.472 2.143 50 0 EEAARO CCOc1ccccc1C[NH+]1CCC2(CCC(=O)N(CCO)C2)CC1 ZINC000092004106 218102797 /nfs/dbraw/zinc/10/27/97/218102797.db2.gz JIGWCMSYJVCOFH-UHFFFAOYSA-N 1 0 346.471 2.282 50 0 EEAARO Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCCC2)c(=O)n1C ZINC000095371701 218303763 /nfs/dbraw/zinc/30/37/63/218303763.db2.gz FOZQJGHALNTEGC-MRXNPFEDSA-N 1 0 331.460 2.174 50 0 EEAARO COc1ccc(C[N@@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cc1O ZINC000095373866 218306553 /nfs/dbraw/zinc/30/65/53/218306553.db2.gz ZGSBKXAVCXEACA-OXQOHEQNSA-N 1 0 341.407 2.371 50 0 EEAARO O=C1CC2(CN1CCCc1ccccc1)CC[NH+](CCCO)CC2 ZINC000095390852 218322414 /nfs/dbraw/zinc/32/24/14/218322414.db2.gz LZVUXJKAXZIYGX-UHFFFAOYSA-N 1 0 330.472 2.316 50 0 EEAARO S=C(NC[C@@H]1CCCO1)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000005041933 210373219 /nfs/dbraw/zinc/37/32/19/210373219.db2.gz PBWNQNGQXMVHJF-KRWDZBQOSA-N 1 0 333.501 2.294 50 0 EEAARO CN(C(=O)c1ccc(-n2cnnn2)cc1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000000036903 208554018 /nfs/dbraw/zinc/55/40/18/208554018.db2.gz PKIZKBMIDVWXTE-UHFFFAOYSA-N 1 0 342.447 2.044 50 0 EEAARO COCC[N@@H+]1CC[C@@H](CN(C)Cc2nc3ccccc3nc2C)C1 ZINC000097515166 219032690 /nfs/dbraw/zinc/03/26/90/219032690.db2.gz GXCFWSQCCHHXLX-INIZCTEOSA-N 1 0 328.460 2.338 50 0 EEAARO COc1ccc(C[NH2+]CC2(O)CCOCC2)cc1Br ZINC000112717105 220385427 /nfs/dbraw/zinc/38/54/27/220385427.db2.gz DCHDMHFLQZRUOD-UHFFFAOYSA-N 1 0 330.222 2.089 50 0 EEAARO O=C(NCc1cn(-c2ccccc2)nc1-c1ccncc1)[C@@H]1CCC[NH2+]1 ZINC000113807661 220599613 /nfs/dbraw/zinc/59/96/13/220599613.db2.gz VLTAGHAEXCVVLB-SFHVURJKSA-N 1 0 347.422 2.303 50 0 EEAARO O=C(c1cccc2c1NCCC2)N1CCCO[C@@H](C[NH+]2CCCC2)C1 ZINC000299775866 258086625 /nfs/dbraw/zinc/08/66/25/258086625.db2.gz LIQNQAUBNUIOSX-KRWDZBQOSA-N 1 0 343.471 2.372 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cnc(N4CCCC4)s3)[C@H]1C[C@@H](O)CC2 ZINC000299788643 258094847 /nfs/dbraw/zinc/09/48/47/258094847.db2.gz VYZFKFPJYPYXAK-JLJPHGGASA-N 1 0 337.489 2.248 50 0 EEAARO CC(C)c1noc(CN2c3ccccc3NC3(CC[NH2+]CC3)C2=O)n1 ZINC000082096177 132818367 /nfs/dbraw/zinc/81/83/67/132818367.db2.gz KJTAHXLOJATWHX-UHFFFAOYSA-N 1 0 341.415 2.274 50 0 EEAARO Cc1ccc(C(=O)N(CCC(=O)N2CC[NH2+]CC2)CCC(C)C)cc1 ZINC000035421647 292048982 /nfs/dbraw/zinc/04/89/82/292048982.db2.gz MHXBTHFTXITDQQ-UHFFFAOYSA-N 1 0 345.487 2.305 50 0 EEAARO CCN1CC2(CCC1=O)CCN(C(=O)[C@@H]([NH2+]C)c1ccccc1)CC2 ZINC000091593209 276148535 /nfs/dbraw/zinc/14/85/35/276148535.db2.gz UYUMKGUCXILAAE-SFHVURJKSA-N 1 0 343.471 2.198 50 0 EEAARO CCc1ccc(CN[C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)nc1 ZINC000072133481 276668245 /nfs/dbraw/zinc/66/82/45/276668245.db2.gz JVBVQXFIHIHSMX-UXHICEINSA-N 1 0 337.467 2.471 50 0 EEAARO [NH3+][C@@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000036296960 295302356 /nfs/dbraw/zinc/30/23/56/295302356.db2.gz ZGJVQRBYJKPISZ-SECBINFHSA-N 1 0 342.770 2.471 50 0 EEAARO CCOc1ccc2nc(NC(=O)CN3CC[NH+](CC)CC3)sc2c1 ZINC000022800605 441285416 /nfs/dbraw/zinc/28/54/16/441285416.db2.gz KBTJVHWRSIBIJL-UHFFFAOYSA-N 1 0 348.472 2.271 50 0 EEAARO [NH3+]CC(=O)N[C@H](Cc1ccccc1)C(=O)Nc1ccc2ccccc2c1 ZINC000002561013 462595287 /nfs/dbraw/zinc/59/52/87/462595287.db2.gz YABDXPBHLDPMOA-LJQANCHMSA-N 1 0 347.418 2.465 50 0 EEAARO Cc1ccccc1[C@H](CNC(=O)c1cn(C)c(C)cc1=O)[NH+](C)C ZINC000534674569 468273479 /nfs/dbraw/zinc/27/34/79/468273479.db2.gz KCIOZPULQZJOQI-KRWDZBQOSA-N 1 0 327.428 2.035 50 0 EEAARO Cc1c(C(=O)N(C)C2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1 ZINC000000153689 462544434 /nfs/dbraw/zinc/54/44/34/462544434.db2.gz PAZLPZQZBMFLGW-UHFFFAOYSA-N 1 0 330.407 2.486 50 0 EEAARO O=C(CN1C(=O)CSc2ccccc21)NCC[NH+]1CCCCCC1 ZINC000000218720 462548594 /nfs/dbraw/zinc/54/85/94/462548594.db2.gz DUXVEZZHKBAHJZ-UHFFFAOYSA-N 1 0 347.484 2.118 50 0 EEAARO CCOc1ccc(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000045744789 462611911 /nfs/dbraw/zinc/61/19/11/462611911.db2.gz KUIRGSNMFRXHJF-HNNXBMFYSA-N 1 0 340.489 2.486 50 0 EEAARO C[C@@H]1C[C@H](C)C[N@@H+](C[C@H](O)COC[C@@H]2COc3ccccc3O2)C1 ZINC000005050838 462645156 /nfs/dbraw/zinc/64/51/56/462645156.db2.gz SUZCNOSJLWNTST-VVLHAWIVSA-N 1 0 335.444 2.182 50 0 EEAARO O=C(c1ccccc1)C12CNCC(C(=O)c3ccccc3)(C[NH2+]C1)C2 ZINC000005681663 462666292 /nfs/dbraw/zinc/66/62/92/462666292.db2.gz FUNIALIPPOFMBT-UHFFFAOYSA-N 1 0 334.419 2.322 50 0 biogenic EEAARO C[NH+](C)CCNC(=O)c1ccc(C[S@@](=O)c2ccc(F)cc2)o1 ZINC000006895650 462711933 /nfs/dbraw/zinc/71/19/33/462711933.db2.gz HGZNTYGRIYZYOJ-QHCPKHFHSA-N 1 0 338.404 2.018 50 0 EEAARO COc1ccccc1OCC(=O)NCc1ccccc1C[NH+](C)C ZINC000006992640 462716757 /nfs/dbraw/zinc/71/67/57/462716757.db2.gz BSMIVNSUQFIAGE-UHFFFAOYSA-N 1 0 328.412 2.452 50 0 EEAARO COCC[N@@H+]1CC[C@H](C(=O)N2CCC3(CCc4ccccc43)CC2)C1 ZINC000065375477 462759906 /nfs/dbraw/zinc/75/99/06/462759906.db2.gz PEXYYQWQDAXIFV-SFHVURJKSA-N 1 0 342.483 2.461 50 0 EEAARO COc1ccc(/C=C/CN2CCN(c3cc(C)[nH+]c(N)n3)CC2)cc1 ZINC000065421641 462769072 /nfs/dbraw/zinc/76/90/72/462769072.db2.gz NHRAXHPTIRPQGV-ONEGZZNKSA-N 1 0 339.443 2.211 50 0 EEAARO CC(=O)NCC1=CCC[N@H+](CCC(=O)Nc2ccc(C)cc2C)C1 ZINC000065531734 462790800 /nfs/dbraw/zinc/79/08/00/462790800.db2.gz JPDJWQQIFSNBPC-UHFFFAOYSA-N 1 0 329.444 2.400 50 0 EEAARO O=C(NCC[NH+]1CCCCC1)c1cn(Cc2ccc(Cl)cc2)nn1 ZINC000012592727 462858539 /nfs/dbraw/zinc/85/85/39/462858539.db2.gz GIBRALWDPFOHJY-UHFFFAOYSA-N 1 0 347.850 2.196 50 0 EEAARO c1nc(CSCC[NH+]2CCCC2)n(-c2ccc3c(c2)OCCO3)n1 ZINC000091255416 462866532 /nfs/dbraw/zinc/86/65/32/462866532.db2.gz SFJKZPBVWKJDEE-UHFFFAOYSA-N 1 0 346.456 2.368 50 0 EEAARO O=C1CCCN1[C@H]1CCC[N@@H+](Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000091351140 462875191 /nfs/dbraw/zinc/87/51/91/462875191.db2.gz QWUNQNFIGKMCDF-HNNXBMFYSA-N 1 0 343.402 2.254 50 0 EEAARO CCOC(=O)c1[nH]c(C[n+]2ccccc2C)c(C(=O)OCC)c1C ZINC000013135468 462886038 /nfs/dbraw/zinc/88/60/38/462886038.db2.gz JZMRMWNVLYRVAK-UHFFFAOYSA-O 1 0 331.392 2.321 50 0 EEAARO CC[NH+]1CCC2(CC1)OCCN2C(=O)c1ccc(Br)o1 ZINC000013733092 462903403 /nfs/dbraw/zinc/90/34/03/462903403.db2.gz VSUJMHIRMSMHFJ-UHFFFAOYSA-N 1 0 343.221 2.327 50 0 EEAARO COC(=O)c1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000014068446 462908792 /nfs/dbraw/zinc/90/87/92/462908792.db2.gz HELUCGYMXFCSGF-UHFFFAOYSA-N 1 0 326.396 2.465 50 0 EEAARO CC[NH+]1CCN(c2ncc(C(=O)Nc3ccc(C)cc3)c(C)n2)CC1 ZINC000015778170 462961936 /nfs/dbraw/zinc/96/19/36/462961936.db2.gz KSFJRPRQGOGSOC-UHFFFAOYSA-N 1 0 339.443 2.488 50 0 EEAARO CCOc1cc(C(=O)N2CCN(c3cc[nH+]cc3)CC2)ccc1OC ZINC000024086229 463078409 /nfs/dbraw/zinc/07/84/09/463078409.db2.gz HMCDNOZUOPSZAH-UHFFFAOYSA-N 1 0 341.411 2.451 50 0 EEAARO CC(C)NC(=O)C[N@H+](C)CCC(=O)Nc1ccc(Cl)cc1F ZINC000024898300 463101561 /nfs/dbraw/zinc/10/15/61/463101561.db2.gz CYCCPGWEPMOXRF-UHFFFAOYSA-N 1 0 329.803 2.264 50 0 EEAARO CSCCC[NH+]1CCC(c2nnc(CN3CCCC3)n2C)CC1 ZINC000096149240 463187949 /nfs/dbraw/zinc/18/79/49/463187949.db2.gz YAQIUHFVLCZURD-UHFFFAOYSA-N 1 0 337.537 2.343 50 0 EEAARO CCOC(=O)C1=C(C[NH2+][C@H](c2cccs2)C(C)C)NC(=O)NC1 ZINC000029190000 463246188 /nfs/dbraw/zinc/24/61/88/463246188.db2.gz NDQJOEJLOMWGQE-AWEZNQCLSA-N 1 0 337.445 2.165 50 0 EEAARO CC[C@H]([NH2+]CCc1ccc2c(c1)OCCO2)C(=O)Nc1cc(C)on1 ZINC000030009010 463284351 /nfs/dbraw/zinc/28/43/51/463284351.db2.gz AUTPRPHNNSLDQE-AWEZNQCLSA-N 1 0 345.399 2.304 50 0 EEAARO COc1ccc(-c2n[nH]cc2C[NH2+]CCN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000030663580 463308328 /nfs/dbraw/zinc/30/83/28/463308328.db2.gz BAMCNBNLDAMCCJ-GASCZTMLSA-N 1 0 344.459 2.284 50 0 EEAARO Cn1cc(C[NH2+]C[C@@H]2COc3ccccc3O2)c(-c2cccnc2)n1 ZINC000097159752 463337571 /nfs/dbraw/zinc/33/75/71/463337571.db2.gz GHSZZVHKVQIHOV-MRXNPFEDSA-N 1 0 336.395 2.412 50 0 EEAARO CCc1nnc2n1C[C@@H]([NH2+][C@@H](C)C(=O)NCCC1=CCCCC1)CC2 ZINC000097199505 463343679 /nfs/dbraw/zinc/34/36/79/463343679.db2.gz RYPJSMPPICMJCZ-HOCLYGCPSA-N 1 0 345.491 2.140 50 0 EEAARO CCc1n[nH]c2c1CN(C(=O)[C@@H]1CCC[N@H+](Cc3ccco3)C1)CC2 ZINC000032537204 463380501 /nfs/dbraw/zinc/38/05/01/463380501.db2.gz KTDBBUCWKYEFPX-CQSZACIVSA-N 1 0 342.443 2.362 50 0 EEAARO CC[NH+]1CCN(c2ncnc3sc(C(=O)NC(C)C)c(C)c32)CC1 ZINC000033048337 463409859 /nfs/dbraw/zinc/40/98/59/463409859.db2.gz WVJVTZABZMRDKS-UHFFFAOYSA-N 1 0 347.488 2.280 50 0 EEAARO O=C(Nc1ccnn1C1CC[NH+](CCO)CC1)c1ccccc1Cl ZINC000071315011 463413602 /nfs/dbraw/zinc/41/36/02/463413602.db2.gz KXHDRGHCAOWFNH-UHFFFAOYSA-N 1 0 348.834 2.418 50 0 EEAARO Cc1ccc2c(c1)c(C(=O)N1CCC3(CC[NH2+]CC3)CC1)nn2C ZINC000071552129 463417394 /nfs/dbraw/zinc/41/73/94/463417394.db2.gz QGJYHDJXJOYDRV-UHFFFAOYSA-N 1 0 326.444 2.488 50 0 EEAARO CCNc1nc(N2CC[NH+](C3CCCCC3)CC2)nc2c1cnn2C ZINC000033266220 463419995 /nfs/dbraw/zinc/41/99/95/463419995.db2.gz CFCDXGHJJZFKMI-UHFFFAOYSA-N 1 0 343.479 2.250 50 0 EEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)N2CCC(c3cc[nH]n3)CC2)C1 ZINC000150750910 463420148 /nfs/dbraw/zinc/42/01/48/463420148.db2.gz VDGWGGBCICOZAE-OAHLLOKOSA-N 1 0 333.480 2.277 50 0 EEAARO Cc1nn2c(nc(C)cc2N2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1C ZINC000072419940 463511843 /nfs/dbraw/zinc/51/18/43/463511843.db2.gz UQRHGNZRMHKRIM-IRXDYDNUSA-N 1 0 343.475 2.080 50 0 EEAARO CC[C@@H]1CN(C(=O)c2ccccc2N2CCOCC2)CC[N@@H+]1C(C)C ZINC000082087564 463512813 /nfs/dbraw/zinc/51/28/13/463512813.db2.gz SBXKUXCYHGVTLN-QGZVFWFLSA-N 1 0 345.487 2.468 50 0 EEAARO O=C(CCc1c[nH]c2ccccc12)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000106517107 463519717 /nfs/dbraw/zinc/51/97/17/463519717.db2.gz GFJBXVREDXDGTL-HOTGVXAUSA-N 1 0 327.428 2.080 50 0 EEAARO CCn1c2ccc(F)cc2nc1CN1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000106841036 463541918 /nfs/dbraw/zinc/54/19/18/463541918.db2.gz RIPCAVIWPQEHOC-KGLIPLIRSA-N 1 0 334.439 2.082 50 0 EEAARO CO[C@@H](C[NH2+]Cc1c(C)nn(C)c1N1CCOCC1)c1ccccc1 ZINC000058423693 463597597 /nfs/dbraw/zinc/59/75/97/463597597.db2.gz JWDOQAZYPDEWOI-SFHVURJKSA-N 1 0 344.459 2.042 50 0 EEAARO Cc1c(CN(C)C(=O)CC[N@H+](C)[C@@H]2CCN(C)C2)[nH]c2ccccc12 ZINC000222274620 464127346 /nfs/dbraw/zinc/12/73/46/464127346.db2.gz RWTJZHUISOYFSK-MRXNPFEDSA-N 1 0 342.487 2.461 50 0 EEAARO O[C@@H]1CCCOC12CCN(Cc1nnc(-c3ccccc3)o1)CC2 ZINC000252483785 464962334 /nfs/dbraw/zinc/96/23/34/464962334.db2.gz FIFAJMNRFHGRFN-OAHLLOKOSA-N 1 0 329.400 2.243 50 0 EEAARO CN1CCN(c2cccc(NC(=O)NCC[C@@H]3CCC[N@@H+]3C)c2)C1=O ZINC000252485203 464963242 /nfs/dbraw/zinc/96/32/42/464963242.db2.gz GPCDXHGIMRLKBO-HNNXBMFYSA-N 1 0 345.447 2.164 50 0 EEAARO C[N@@H+]1CCN2CCN(C(=O)C3(c4ccccc4)CCCCC3)C[C@H]2C1 ZINC000252509449 464975122 /nfs/dbraw/zinc/97/51/22/464975122.db2.gz YOBHEIWDPZIVDL-LJQANCHMSA-N 1 0 341.499 2.347 50 0 EEAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@@H]12)c1cc(-c2ccncc2)n[nH]1 ZINC000252527863 464979213 /nfs/dbraw/zinc/97/92/13/464979213.db2.gz DNPQNUMJUOOOPC-QAPCUYQASA-N 1 0 339.443 2.466 50 0 EEAARO O=C(NCC1CC[NH2+]CC1)c1ccc(-c2cnc3cccnn32)cc1 ZINC000584901688 468959781 /nfs/dbraw/zinc/95/97/81/468959781.db2.gz UWJPECBPVPNJKK-UHFFFAOYSA-N 1 0 335.411 2.126 50 0 EEAARO CCOC(=O)N1CC[C@@H]([NH2+]Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000584904100 468960843 /nfs/dbraw/zinc/96/08/43/468960843.db2.gz OSPLPJIYWPPGDV-OAHLLOKOSA-N 1 0 332.379 2.332 50 0 EEAARO Cc1cc(F)ccc1C[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000585136767 468987812 /nfs/dbraw/zinc/98/78/12/468987812.db2.gz RPIGZYFLWSEDNU-QGZVFWFLSA-N 1 0 330.407 2.262 50 0 EEAARO c1cncc(CN2CCN(C[C@@H]3CCC[N@@H+]4CCCC[C@H]34)CC2)c1 ZINC000299793245 685349064 /nfs/dbraw/zinc/34/90/64/685349064.db2.gz HNZQTZKILNRRAU-VQTJNVASSA-N 1 0 328.504 2.464 50 0 EEAARO CCCS(=O)(=O)NC[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067714221 1249934528 /nfs/dbraw/zinc/93/45/28/1249934528.db2.gz FJEXKIHFBSRNQN-AWEZNQCLSA-N 1 0 335.473 2.319 50 0 EEAARO O=C(COCc1ccccc1)N1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001198085384 1284960861 /nfs/dbraw/zinc/96/08/61/1284960861.db2.gz BJTXWELJFITQTJ-LJQANCHMSA-N 1 0 346.471 2.164 50 0 EEAARO Cc1nc2c(c(NCc3noc(-c4cccs4)n3)n1)CC[NH2+]CC2 ZINC000065491173 1296166766 /nfs/dbraw/zinc/16/67/66/1296166766.db2.gz HYYIRWTUDFBKAD-UHFFFAOYSA-N 1 0 342.428 2.197 50 0 EEAARO Cn1ccc(C2CC[NH+](C[C@H]3COc4ccccc4O3)CC2)cc1=O ZINC001772812447 1410370495 /nfs/dbraw/zinc/37/04/95/1410370495.db2.gz JIJABDKBVMMQIP-KRWDZBQOSA-N 1 0 340.423 2.405 50 0 EEAARO CCc1cc(N2CCC(c3ccn(C)c(=O)c3)CC2)nc(N(C)C)[nH+]1 ZINC001772819631 1410372418 /nfs/dbraw/zinc/37/24/18/1410372418.db2.gz XNVSWPXLHYKYQS-UHFFFAOYSA-N 1 0 341.459 2.188 50 0 EEAARO CC(C)C(=O)N1CCC[C@@H]([NH2+]Cc2cnc(N3CCCCC3)nc2)C1 ZINC000952981271 796143775 /nfs/dbraw/zinc/14/37/75/796143775.db2.gz LJHOWFDBMXGSNL-QGZVFWFLSA-N 1 0 345.491 2.204 50 0 EEAARO COCc1nc(CC2CC(C)(C)[NH2+]C(C)(C)C2)n(CC(C)(C)O)n1 ZINC000824490500 800274189 /nfs/dbraw/zinc/27/41/89/800274189.db2.gz AKJOXWKXLWTGNR-UHFFFAOYSA-N 1 0 338.496 2.295 50 0 EEAARO CCc1nc(CN2CC[NH+]([C@H]3CCc4ccccc4C3)CC2)no1 ZINC001506398135 1114595051 /nfs/dbraw/zinc/59/50/51/1114595051.db2.gz WKJOVSRYQKWXCO-KRWDZBQOSA-N 1 0 326.444 2.307 50 0 EEAARO O=C(c1ccoc1)N1CCC[N@@H+](C2CSCCSC2)CC1 ZINC001506401434 1114596651 /nfs/dbraw/zinc/59/66/51/1114596651.db2.gz RDANHLAWNSQLAN-UHFFFAOYSA-N 1 0 326.487 2.276 50 0 EEAARO COc1ccccc1-c1c(C)nn(C)c1NC(=O)[C@H]1CCCC[NH2+]1 ZINC001529167927 1121350941 /nfs/dbraw/zinc/35/09/41/1121350941.db2.gz RNAYRCGVMKUJDB-CQSZACIVSA-N 1 0 328.416 2.485 50 0 EEAARO OCCc1cn(C2CC[NH+](C/C=C/c3ccc(F)cc3)CC2)nn1 ZINC000055211459 214289606 /nfs/dbraw/zinc/28/96/06/214289606.db2.gz ICBBNQTUAZZDBK-OWOJBTEDSA-N 1 0 330.407 2.302 50 0 EEAARO C[C@H](c1ccc(C(=O)NCCSc2nc[nH]n2)o1)[NH+]1CCCCC1 ZINC000055227840 214292502 /nfs/dbraw/zinc/29/25/02/214292502.db2.gz DEMLQOZPTJSGNV-GFCCVEGCSA-N 1 0 349.460 2.467 50 0 EEAARO C[N@@H+]1CC[C@](C)(CNC(=O)c2cc(COc3ccccc3F)n[nH]2)C1 ZINC000067677707 215182227 /nfs/dbraw/zinc/18/22/27/215182227.db2.gz MUDDPUFKIBGDGT-GOSISDBHSA-N 1 0 346.406 2.199 50 0 EEAARO CN1CCC([N@@H+]2CCC[C@@H](C(=O)NCCc3ccccc3)C2)CC1 ZINC000067754312 215202769 /nfs/dbraw/zinc/20/27/69/215202769.db2.gz INUVFTLIHNFMKU-GOSISDBHSA-N 1 0 329.488 2.152 50 0 EEAARO Cc1c(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)cnn1-c1ccccn1 ZINC000067846684 215228163 /nfs/dbraw/zinc/22/81/63/215228163.db2.gz ZWQLWCCRKCPOIY-HNNXBMFYSA-N 1 0 327.432 2.037 50 0 EEAARO C[C@@H]([NH3+])C(=O)N1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000067947349 215256776 /nfs/dbraw/zinc/25/67/76/215256776.db2.gz XBCRKWCIESZVMI-SNVBAGLBSA-N 1 0 347.802 2.176 50 0 EEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2cccc(-c3nc[nH]n3)c2)C1 ZINC000067947998 215257545 /nfs/dbraw/zinc/25/75/45/215257545.db2.gz JVLKEKCKOCLLDY-CQSZACIVSA-N 1 0 327.432 2.179 50 0 EEAARO CC(C)[N@@H+]1CCN(Cc2cccn2-c2ccccn2)C[C@H]1CCO ZINC000104548099 219393254 /nfs/dbraw/zinc/39/32/54/219393254.db2.gz MJHBKIHJWYZOJT-GOSISDBHSA-N 1 0 328.460 2.149 50 0 EEAARO [NH3+][C@H]1COC[C@H]1Oc1cnn(Cc2c(Cl)oc3ccccc32)c1 ZINC000685943588 539990462 /nfs/dbraw/zinc/99/04/62/539990462.db2.gz YXGLMQNLTNDXPR-DZGCQCFKSA-N 1 0 333.775 2.436 50 0 EEAARO CC(C)C[N@@H+]1CC[C@H](CNC(=O)c2ccc(-c3cc[nH]n3)nc2)C1 ZINC000071551772 215785199 /nfs/dbraw/zinc/78/51/99/215785199.db2.gz PQPMEQUWZMKYSO-CQSZACIVSA-N 1 0 327.432 2.179 50 0 EEAARO O=C(CC[NH+]1CCC2(CC1)OCCO2)Nc1ccc(F)c(F)c1 ZINC000032825315 212851202 /nfs/dbraw/zinc/85/12/02/212851202.db2.gz INYPQEZEIVGQIP-UHFFFAOYSA-N 1 0 326.343 2.132 50 0 EEAARO Cc1nc(-c2cccnc2)ncc1C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000072121871 216015305 /nfs/dbraw/zinc/01/53/05/216015305.db2.gz RDBVZDNYLAYZLT-MRXNPFEDSA-N 1 0 339.443 2.403 50 0 EEAARO C[NH+](C)C[C@@]1(O)CCCN(C(=O)c2ccccc2N2CCCC2)CC1 ZINC000072162587 216050384 /nfs/dbraw/zinc/05/03/84/216050384.db2.gz ZUOBNCDLDKBIBX-HXUWFJFHSA-N 1 0 345.487 2.206 50 0 EEAARO Cc1nonc1C(=O)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1 ZINC000072411648 216203727 /nfs/dbraw/zinc/20/37/27/216203727.db2.gz BAUUSOXBTGEGTO-UHFFFAOYSA-N 1 0 330.432 2.105 50 0 EEAARO NC(=O)CCC[N@@H+]1CCC[C@]2(CCC(=O)N(Cc3ccccc3)C2)C1 ZINC000072422792 216211738 /nfs/dbraw/zinc/21/17/38/216211738.db2.gz KCNSVFPPAKDTTG-FQEVSTJZSA-N 1 0 343.471 2.157 50 0 EEAARO Cc1noc(C)c1CCCn1ccnc1-c1cc2n(n1)CC[NH2+]C2 ZINC000072434210 216229014 /nfs/dbraw/zinc/22/90/14/216229014.db2.gz HFKCORLEFKDCPW-UHFFFAOYSA-N 1 0 326.404 2.087 50 0 EEAARO O[C@]1(CNc2cc(-c3ccccc3F)nc3ccnn32)CCC[NH2+]C1 ZINC000072432053 216224914 /nfs/dbraw/zinc/22/49/14/216224914.db2.gz FBEJBEIBRJRHSY-GOSISDBHSA-N 1 0 341.390 2.062 50 0 EEAARO CSCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cccnc3N)CC[C@H]21 ZINC000072432673 216226726 /nfs/dbraw/zinc/22/67/26/216226726.db2.gz CNXNTWJKLOSDLG-GOEBONIOSA-N 1 0 348.516 2.230 50 0 EEAARO Cc1cc(NC(=O)CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)no1 ZINC000022849936 212327728 /nfs/dbraw/zinc/32/77/28/212327728.db2.gz PTQDVKHCTWRDNU-UHFFFAOYSA-N 1 0 346.406 2.269 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cncc(C)c3C)[C@H]1C[C@@H](OCCO)CC2 ZINC000426414450 241280899 /nfs/dbraw/zinc/28/08/99/241280899.db2.gz DGRRLDWNBQGARC-GBESFXJTSA-N 1 0 334.460 2.219 50 0 EEAARO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1ccc3occc(=O)c3c1)C2 ZINC000426438907 241286577 /nfs/dbraw/zinc/28/65/77/241286577.db2.gz QFXBQNMCRLWGHJ-UONOGXRCSA-N 1 0 327.384 2.493 50 0 EEAARO Cc1cccnc1C[C@@H](C)N(C)C(=O)Cc1cccc(OCC[NH3+])c1 ZINC000426510566 241302565 /nfs/dbraw/zinc/30/25/65/241302565.db2.gz CGEXARJECAJEDX-MRXNPFEDSA-N 1 0 341.455 2.360 50 0 EEAARO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCCc1ccccc1F ZINC000426563058 241308814 /nfs/dbraw/zinc/30/88/14/241308814.db2.gz PFKGYIIHVJHLLC-INIZCTEOSA-N 1 0 344.434 2.238 50 0 EEAARO CC(C)CCNC(=O)[C@@]1(C)CCC(=O)N1CCC[NH+]1CCCCC1 ZINC000021776410 212248641 /nfs/dbraw/zinc/24/86/41/212248641.db2.gz RZLFNRRBCKCQMW-LJQANCHMSA-N 1 0 337.508 2.406 50 0 EEAARO C[NH+](C)[C@@H]1CCN(CC(=O)NCC2(c3ccccc3F)CCCC2)C1 ZINC000222818209 241565019 /nfs/dbraw/zinc/56/50/19/241565019.db2.gz QNYGKFNSGXGIND-MRXNPFEDSA-N 1 0 347.478 2.390 50 0 EEAARO [NH3+][C@H]1C[C@H](c2cc(NCc3csc(-c4cnccn4)n3)ncn2)C1 ZINC000243893418 243029076 /nfs/dbraw/zinc/02/90/76/243029076.db2.gz ARAJBJDPJZROFP-XYPYZODXSA-N 1 0 339.428 2.207 50 0 EEAARO Cc1ccc(CN2CCN(CC[C@H]3CCC[N@H+]3C)CC2=O)cc1C ZINC000244626832 243048598 /nfs/dbraw/zinc/04/85/98/243048598.db2.gz FTNSVAPHDTWSSL-LJQANCHMSA-N 1 0 329.488 2.432 50 0 EEAARO Cc1cc(C(F)(F)F)nn1CCNc1cc([C@H]2C[C@@H]([NH3+])C2)ncn1 ZINC000244874211 243090920 /nfs/dbraw/zinc/09/09/20/243090920.db2.gz WWPWSLWRUPTLJM-PHIMTYICSA-N 1 0 340.353 2.317 50 0 EEAARO CCc1nc(C)c(CNC(=O)CC[C@H](C)[NH+]2CCN(C)CC2)s1 ZINC000244873237 243091770 /nfs/dbraw/zinc/09/17/70/243091770.db2.gz WMITWRCRHINFDG-ZDUSSCGKSA-N 1 0 338.521 2.046 50 0 EEAARO Cc1ccc(C[N@@H+]2CCN(Cc3ccccn3)C[C@@H]2CCO)cc1 ZINC000019883752 212079624 /nfs/dbraw/zinc/07/96/24/212079624.db2.gz QTAQJQYXYYQCIM-FQEVSTJZSA-N 1 0 325.456 2.459 50 0 EEAARO COc1cc(/C=C/CN2CC[N@H+](C(C)C)[C@@H](CCO)C2)ccc1O ZINC000019731945 212057821 /nfs/dbraw/zinc/05/78/21/212057821.db2.gz RSIDKVCCDUXDNQ-BDUNBXCCSA-N 1 0 334.460 2.191 50 0 EEAARO Cc1ccc(S(=O)(=O)NCC[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000110797749 220066793 /nfs/dbraw/zinc/06/67/93/220066793.db2.gz GBMGDRZGDVEWFT-NSHDSACASA-N 1 0 347.278 2.035 50 0 EEAARO CCN(C[C@H]1CCC[N@H+](CCc2cccc(OC)c2)C1)C(=O)COC ZINC000012386203 211364601 /nfs/dbraw/zinc/36/46/01/211364601.db2.gz LVSCOZLHKBAZTE-SFHVURJKSA-N 1 0 348.487 2.445 50 0 EEAARO C[C@H](Oc1cccc(Br)c1)C(=O)NC1CC[NH+](C)CC1 ZINC000012380617 211361590 /nfs/dbraw/zinc/36/15/90/211361590.db2.gz LJQYULOMMNVQRV-NSHDSACASA-N 1 0 341.249 2.427 50 0 EEAARO CSc1ncc(C(=O)N2CCCN(c3cc[nH+]c(C)c3)CC2)cn1 ZINC000091678122 218045482 /nfs/dbraw/zinc/04/54/82/218045482.db2.gz AWQGLEQKEOCPFM-UHFFFAOYSA-N 1 0 343.456 2.254 50 0 EEAARO O=C([C@H]1CCC[N@@H+](C2CCCC2)C1)N1CCC(c2nnc[nH]2)CC1 ZINC000091934287 218090840 /nfs/dbraw/zinc/09/08/40/218090840.db2.gz VAKINRWWBVMEHY-HNNXBMFYSA-N 1 0 331.464 2.165 50 0 EEAARO CCOC(=O)C1=C(O)NC(N2CCCCC2)=[NH+][C@H]1c1cccc(C)c1 ZINC000010339375 211167270 /nfs/dbraw/zinc/16/72/70/211167270.db2.gz GTBXBUBSYVJDLN-HOTGVXAUSA-N 1 0 343.427 2.187 50 0 EEAARO Cc1cccc([C@@H](C(=O)N2CCN(c3cc[nH+]cc3)CC2)N(C)C)c1 ZINC000095364411 218296394 /nfs/dbraw/zinc/29/63/94/218296394.db2.gz GROQYDPDICKKSB-IBGZPJMESA-N 1 0 338.455 2.342 50 0 EEAARO O=C(NCc1cn2c(n1)SCC2)C1CC[NH+](Cc2ccco2)CC1 ZINC000095364326 218297192 /nfs/dbraw/zinc/29/71/92/218297192.db2.gz YBWUFJNNVGKYOR-UHFFFAOYSA-N 1 0 346.456 2.110 50 0 EEAARO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3cc[nH]c3c1)C2 ZINC000095379161 218311263 /nfs/dbraw/zinc/31/12/63/218311263.db2.gz JXYOJHVBPRCMCZ-RHSMWYFYSA-N 1 0 327.428 2.351 50 0 EEAARO CCN1CC2(CC[NH+](CCCO)CC2)C[C@@H](c2ccccc2)C1=O ZINC000095392424 218323438 /nfs/dbraw/zinc/32/34/38/218323438.db2.gz NGXNWIHJJPUULN-SFHVURJKSA-N 1 0 330.472 2.487 50 0 EEAARO COCCn1ccc2c1cccc2C(=O)N[C@H]1C[NH+]2CCC1CC2 ZINC000095474000 218408287 /nfs/dbraw/zinc/40/82/87/218408287.db2.gz OOGLOSGUIMRUKU-KRWDZBQOSA-N 1 0 327.428 2.112 50 0 EEAARO O[C@@H]1C[NH2+]CCN(Cc2cnc(-c3cccc4ccccc43)nc2)C1 ZINC000097463531 219025224 /nfs/dbraw/zinc/02/52/24/219025224.db2.gz BEZBYCQGCOXBBY-QGZVFWFLSA-N 1 0 334.423 2.063 50 0 EEAARO O=C(NCCSc1ccccn1)[C@@H]1CCC[N@@H+](C2CCOCC2)C1 ZINC000097402535 219021883 /nfs/dbraw/zinc/02/18/83/219021883.db2.gz SIYYFBHKMZXCSM-OAHLLOKOSA-N 1 0 349.500 2.181 50 0 EEAARO Cc1nc(C)c(CC(=O)N2CCC([NH+]3CCSCC3)CC2)s1 ZINC000097468609 219027301 /nfs/dbraw/zinc/02/73/01/219027301.db2.gz IXRSJTBQCFVMIM-UHFFFAOYSA-N 1 0 339.530 2.342 50 0 EEAARO CC[N@@H+]1CCCC[C@H]1C(=O)NCCNC(=O)c1ccccc1Cl ZINC000097505760 219031800 /nfs/dbraw/zinc/03/18/00/219031800.db2.gz WWPGDWXCTKYAPV-HNNXBMFYSA-N 1 0 337.851 2.060 50 0 EEAARO Cn1ccnc1CCC[N@H+](C)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299772847 258084860 /nfs/dbraw/zinc/08/48/60/258084860.db2.gz BIGFFLPFFOKQTA-INIZCTEOSA-N 1 0 326.444 2.338 50 0 EEAARO [NH3+]CCCOc1ccc(C(=O)N2CCO[C@@H](C3CC3)C2)cc1Cl ZINC000299775474 258085905 /nfs/dbraw/zinc/08/59/05/258085905.db2.gz JPRPGNRILKXTIY-MRXNPFEDSA-N 1 0 338.835 2.319 50 0 EEAARO O=C(CSCC[NH+]1CCCC1)NCCc1nc2ccccc2o1 ZINC000299799550 258102810 /nfs/dbraw/zinc/10/28/10/258102810.db2.gz HDFACKFQSKRDKF-UHFFFAOYSA-N 1 0 333.457 2.316 50 0 EEAARO O=C(CCCn1cccn1)N[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000299799418 258102894 /nfs/dbraw/zinc/10/28/94/258102894.db2.gz SCBIALBGOAZVBU-QGZVFWFLSA-N 1 0 342.443 2.150 50 0 EEAARO O=C([C@@H]1CCC[NH2+]CC1)N1CCC2(CCC(=O)N(C3CCC3)C2)CC1 ZINC000091663170 304333236 /nfs/dbraw/zinc/33/32/36/304333236.db2.gz CPHUJYWOJWNPHE-MRXNPFEDSA-N 1 0 347.503 2.160 50 0 EEAARO Cc1sc2nc(CC[NH3+])nc(N3[C@@H]4CC[C@H]3C[C@@H](O)C4)c2c1C ZINC000102709620 294081775 /nfs/dbraw/zinc/08/17/75/294081775.db2.gz QHYFYORFNGQACD-ITGUQSILSA-N 1 0 332.473 2.301 50 0 EEAARO [NH3+][C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)C1 ZINC000036296958 295335192 /nfs/dbraw/zinc/33/51/92/295335192.db2.gz ZGJVQRBYJKPISZ-VIFPVBQESA-N 1 0 342.770 2.471 50 0 EEAARO CC[C@@H]([NH3+])C(=O)N1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000130285291 323328687 /nfs/dbraw/zinc/32/86/87/323328687.db2.gz XOBUDYHQDJUNIW-OAHLLOKOSA-N 1 0 343.393 2.477 50 0 EEAARO CCOC(=O)c1oc2ccccc2c1C[NH+]1CCC(C(N)=O)CC1 ZINC000000118667 462542934 /nfs/dbraw/zinc/54/29/34/462542934.db2.gz HWIUZHIIJJMWRB-UHFFFAOYSA-N 1 0 330.384 2.307 50 0 EEAARO CCc1n(C)c2ccccc2[n+]1C[C@H](O)COc1ccccc1OC 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JDNWEAUNHBBYHW-AWEZNQCLSA-N 1 0 345.472 2.481 50 0 EEAARO CN1CC2(CCC1=O)CCN(C(=O)[C@@H]1CCC[N@@H+]3CCCC[C@H]13)CC2 ZINC000091594209 462891068 /nfs/dbraw/zinc/89/10/68/462891068.db2.gz HPRIDEYPEPYKTI-IAGOWNOFSA-N 1 0 347.503 2.112 50 0 EEAARO COc1ccccc1CC[NH2+]Cc1ccc2c(c1)n(C)c(=O)n2C ZINC000013691096 462899970 /nfs/dbraw/zinc/89/99/70/462899970.db2.gz LQTDHQPERACPBC-UHFFFAOYSA-N 1 0 325.412 2.218 50 0 EEAARO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3F)cn2)CC1 ZINC000014109659 462911085 /nfs/dbraw/zinc/91/10/85/462911085.db2.gz KANDBKCTVMZRAX-UHFFFAOYSA-N 1 0 332.354 2.364 50 0 EEAARO O=C(Cc1ccc(Cl)cc1)N1CCC[C@](O)(C[NH+]2CCCC2)C1 ZINC000077423429 462983451 /nfs/dbraw/zinc/98/34/51/462983451.db2.gz BDMFMNKLJINGMW-SFHVURJKSA-N 1 0 336.863 2.332 50 0 EEAARO O=c1ccc2cc(CN3CC[C@@](O)(C[NH+]4CCCCC4)C3)c[nH]c-2c1 ZINC000077518800 462999031 /nfs/dbraw/zinc/99/90/31/462999031.db2.gz DFVSGMUPDVAHHZ-HXUWFJFHSA-N 1 0 341.455 2.363 50 0 EEAARO O=c1ccc2cc(CN3CC[C@](O)(C[NH+]4CCCCC4)C3)c[nH]c-2c1 ZINC000077518795 462999202 /nfs/dbraw/zinc/99/92/02/462999202.db2.gz DFVSGMUPDVAHHZ-FQEVSTJZSA-N 1 0 341.455 2.363 50 0 EEAARO Cc1nnnn1CCC[N@H+]1CCC[C@@H]1c1nc2ccccc2n1C ZINC000077540462 463002804 /nfs/dbraw/zinc/00/28/04/463002804.db2.gz WKRHZHQNMLNRLC-MRXNPFEDSA-N 1 0 325.420 2.095 50 0 EEAARO CC(C)n1cc(C(=O)NC2CC[NH+](Cc3ccccn3)CC2)cn1 ZINC000077565435 463006037 /nfs/dbraw/zinc/00/60/37/463006037.db2.gz BPYBHZGHHSGPDU-UHFFFAOYSA-N 1 0 327.432 2.253 50 0 EEAARO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccn2)nc1 ZINC000077566011 463006416 /nfs/dbraw/zinc/00/64/16/463006416.db2.gz YOMQBDWKYFDIND-KRWDZBQOSA-N 1 0 339.443 2.419 50 0 EEAARO CN(C[C@H]1COc2ccccc2O1)c1cc(C2CC[NH2+]CC2)ncn1 ZINC000067641900 463031312 /nfs/dbraw/zinc/03/13/12/463031312.db2.gz CCUDVDBRQJNVMA-HNNXBMFYSA-N 1 0 340.427 2.220 50 0 EEAARO CC[NH+]1CCN(c2cc(C)nc3nc(Cc4ccccc4)nn32)CC1 ZINC000021173813 463033584 /nfs/dbraw/zinc/03/35/84/463033584.db2.gz VHTYZEUAEUPVRN-UHFFFAOYSA-N 1 0 336.443 2.165 50 0 EEAARO C[NH+]1CCN(c2ccc(CNC(=O)Nc3ccccc3)cn2)CC1 ZINC000022473498 463050112 /nfs/dbraw/zinc/05/01/12/463050112.db2.gz CDTYRNUBSOARJI-UHFFFAOYSA-N 1 0 325.416 2.155 50 0 EEAARO O=C(C[NH+]1CCC(c2ccccc2)CC1)NCc1cnn2cccnc12 ZINC000095519771 463102668 /nfs/dbraw/zinc/10/26/68/463102668.db2.gz NHZQBVYMNMSQIJ-UHFFFAOYSA-N 1 0 349.438 2.225 50 0 EEAARO C[NH+](C)Cc1ccc(CSCc2nc3c([nH]2)C(=O)NCCC3)o1 ZINC000095530984 463107003 /nfs/dbraw/zinc/10/70/03/463107003.db2.gz GETVFRXJAVVWGW-UHFFFAOYSA-N 1 0 334.445 2.174 50 0 EEAARO O=C(NC[C@@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2cccnc2)n[nH]1 ZINC000096115830 463179819 /nfs/dbraw/zinc/17/98/19/463179819.db2.gz VSIAVKJNOAFUKA-MAUKXSAKSA-N 1 0 339.443 2.466 50 0 biogenic EEAARO COc1ccc([C@@H]2CCC[N@@H+]2CCN2C(=O)NC(C)(C)C2=O)cc1 ZINC000028081640 463217831 /nfs/dbraw/zinc/21/78/31/463217831.db2.gz DLCSDMLYRIAMCY-HNNXBMFYSA-N 1 0 331.416 2.163 50 0 EEAARO O=C(NC[C@H]1CCC[N@@H+]2CCCC[C@H]12)c1cc(-c2cccnc2)n[nH]1 ZINC000096345210 463234804 /nfs/dbraw/zinc/23/48/04/463234804.db2.gz VSIAVKJNOAFUKA-CRAIPNDOSA-N 1 0 339.443 2.466 50 0 EEAARO C[C@@H](C(=O)NCc1ccc(C[NH+]2CCC(C)CC2)cc1)n1cncn1 ZINC000029900588 463278145 /nfs/dbraw/zinc/27/81/45/463278145.db2.gz NHJDPCKEOZLKLO-INIZCTEOSA-N 1 0 341.459 2.387 50 0 EEAARO O[C@H]1CN(CCC(F)(F)F)CC[N@@H+](C2Cc3ccccc3C2)C1 ZINC000097212991 463348949 /nfs/dbraw/zinc/34/89/49/463348949.db2.gz NCLYJVAUWYCIEP-INIZCTEOSA-N 1 0 328.378 2.085 50 0 EEAARO CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(Cc3cccnc3)CC2)C1 ZINC000071575513 463417918 /nfs/dbraw/zinc/41/79/18/463417918.db2.gz DFLSWJZCXNBISJ-SFHVURJKSA-N 1 0 344.503 2.236 50 0 EEAARO Cc1noc([C@H]2CCC[N@H+](C[C@@H](O)COc3ccc(F)cc3)C2)n1 ZINC000106573167 463524889 /nfs/dbraw/zinc/52/48/89/463524889.db2.gz LNPSUKWXSSKWPF-DZGCQCFKSA-N 1 0 335.379 2.136 50 0 EEAARO CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc2c(c1)NC(=O)CO2 ZINC000106559810 463524935 /nfs/dbraw/zinc/52/49/35/463524935.db2.gz SCSJOZJGJRVQLM-XQQFMLRXSA-N 1 0 333.432 2.361 50 0 EEAARO Cn1cc([C@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccccc2F)cn1 ZINC000106837540 463540845 /nfs/dbraw/zinc/54/08/45/463540845.db2.gz LOCQYDPBULOFSL-SJLPKXTDSA-N 1 0 333.407 2.274 50 0 EEAARO Cc1nn2c(nc(C)cc2N2CC[N@@H+](CC(C)C)[C@@H](CCO)C2)c1C ZINC000106964108 463555116 /nfs/dbraw/zinc/55/51/16/463555116.db2.gz OUCUZPMEDIZMBC-KRWDZBQOSA-N 1 0 345.491 2.184 50 0 EEAARO C[C@H]1C[NH2+]CCN1C(=O)Cc1csc(Cc2ccc(F)cc2)n1 ZINC000125852565 463584984 /nfs/dbraw/zinc/58/49/84/463584984.db2.gz GEZFGGSXYOAIAH-LBPRGKRZSA-N 1 0 333.432 2.236 50 0 EEAARO C[C@H](C[C@@H]1COCCN1C(=O)OC(C)(C)C)[NH2+]C[C@@H](C)C[C@H](C)O ZINC000108398152 463604022 /nfs/dbraw/zinc/60/40/22/463604022.db2.gz FAOWZQOPEFCIPD-XUWVNRHRSA-N 1 0 344.496 2.398 50 0 EEAARO CCC[N@@H+]1CC[C@@H](CNC(=O)N2CCC(O)(c3ccccc3)CC2)C1 ZINC000185242805 463785521 /nfs/dbraw/zinc/78/55/21/463785521.db2.gz SQUXIQKYYLPNIL-KRWDZBQOSA-N 1 0 345.487 2.412 50 0 EEAARO CC(=O)N1CCN(Cc2ccccc2OCC[NH+]2CCCCC2)CC1 ZINC000215931035 464107394 /nfs/dbraw/zinc/10/73/94/464107394.db2.gz ICUNIZLOIVUIQV-UHFFFAOYSA-N 1 0 345.487 2.215 50 0 EEAARO Cc1ccc(O[C@H]2COCC[C@H]2[NH2+]C2CSCCSC2)cn1 ZINC000219808199 464111010 /nfs/dbraw/zinc/11/10/10/464111010.db2.gz IUSFMVQAMPJUPG-CVEARBPZSA-N 1 0 340.514 2.365 50 0 EEAARO O=C(NCC1([NH+]2CCCC2)CCCCC1)c1ccc2n[nH]nc2c1 ZINC000222443230 464130626 /nfs/dbraw/zinc/13/06/26/464130626.db2.gz VPJAWESEUYPGPZ-UHFFFAOYSA-N 1 0 327.432 2.486 50 0 EEAARO C[NH+]1CCC(OCCCNC(=O)Cc2cccc(F)c2F)CC1 ZINC000223763226 464146582 /nfs/dbraw/zinc/14/65/82/464146582.db2.gz WNCXVDHCLBPSPK-UHFFFAOYSA-N 1 0 326.387 2.124 50 0 EEAARO O=C([C@H]1CC[C@@H](O)CC1)N1CCCN(Cc2ccc(F)cc2)CC1 ZINC000244673716 464461509 /nfs/dbraw/zinc/46/15/09/464461509.db2.gz HUIYFSIISIRDPC-MAEOIBBWSA-N 1 0 334.435 2.411 50 0 EEAARO CO[C@]12CC[N@H+](Cc3cc(=O)[nH]c(C)n3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299774248 465886891 /nfs/dbraw/zinc/88/68/91/465886891.db2.gz AWADXIJTABPMLU-ZIFCJYIRSA-N 1 0 347.459 2.429 50 0 EEAARO Cc1nc(N2CCOCC2)ccc1NC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000423797072 466842136 /nfs/dbraw/zinc/84/21/36/466842136.db2.gz HYLCXTUHIZVFEX-IBGZPJMESA-N 1 0 340.427 2.039 50 0 EEAARO Cc1nc2c([nH]1)CCN(C(=O)C1(c3ccccc3)CC[NH+](C)CC1)C2 ZINC000584892100 468957465 /nfs/dbraw/zinc/95/74/65/468957465.db2.gz OXGVABKYRVKMLH-UHFFFAOYSA-N 1 0 338.455 2.266 50 0 EEAARO Cc1nn(C)c(C)c1CN(C(=O)NCC[C@@H]1CCC[N@H+](C)C1)C1CC1 ZINC000584895498 468957942 /nfs/dbraw/zinc/95/79/42/468957942.db2.gz DRWSQMLTFGHAJI-INIZCTEOSA-N 1 0 347.507 2.443 50 0 EEAARO COc1ccc(-c2cc(CNC(=O)N(C)[C@@H]3CC[N@H+](C)C3)no2)cc1 ZINC000584903045 468960570 /nfs/dbraw/zinc/96/05/70/468960570.db2.gz DRKGDRGQKYBDGA-OAHLLOKOSA-N 1 0 344.415 2.196 50 0 EEAARO O=C(Nc1cc(Br)ccn1)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000667487833 471796960 /nfs/dbraw/zinc/79/69/60/471796960.db2.gz IMKHTTYEEQUDML-ZACCUICWSA-N 1 0 325.210 2.249 50 0 EEAARO CCc1nccn1CCNc1cc([C@H]2C[C@@H]([NH3+])C2)nc(C2CC2)n1 ZINC000223915840 485533466 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CCOC(=O)N1CCN([C@@H]2CCC[N@H+](Cc3ccsc3)C2)CC1 ZINC000019841696 1229420624 /nfs/dbraw/zinc/42/06/24/1229420624.db2.gz NLNCDIWASDPIAD-MRXNPFEDSA-N 1 0 337.489 2.487 50 0 EEAARO C[C@@H]1C(=O)OC[C@H]1C(=O)N(C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000020294976 1229507145 /nfs/dbraw/zinc/50/71/45/1229507145.db2.gz DXKZKQBTUFJXAI-MAUKXSAKSA-N 1 0 344.455 2.166 50 0 EEAARO Cn1ccnc1[C@H](O)C1CC[NH+](CCc2n[nH]c3ccccc32)CC1 ZINC000020780886 1229613277 /nfs/dbraw/zinc/61/32/77/1229613277.db2.gz FGKGHGFSBMMKHN-GOSISDBHSA-N 1 0 339.443 2.285 50 0 EEAARO CN(C)c1nccnc1NC[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000302797576 1409788036 /nfs/dbraw/zinc/78/80/36/1409788036.db2.gz RAESDRKNMHYDTK-KRWDZBQOSA-N 1 0 341.459 2.246 50 0 EEAARO CC1=C(C(=O)NCC2(c3ccccc3)CC[NH+](C)CC2)OCCO1 ZINC000952973314 796115238 /nfs/dbraw/zinc/11/52/38/796115238.db2.gz ZCOWOTHVXWOQER-UHFFFAOYSA-N 1 0 330.428 2.045 50 0 EEAARO CCCC[N@H+](C)Cc1ccc(C(=O)NCC2(O)CCCCC2)c(=O)[nH]1 ZINC000012051340 799690842 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C[C@H](c1ccc(C(=O)NCCSc2c[nH]nn2)o1)[NH+]1CCCCC1 ZINC000055327899 214307710 /nfs/dbraw/zinc/30/77/10/214307710.db2.gz FOPYBMQTULKRGF-GFCCVEGCSA-N 1 0 349.460 2.467 50 0 EEAARO CCc1oc(C(=O)NC[C@H](C)n2cncn2)cc1C[NH+]1CCCC1 ZINC000055412977 214321947 /nfs/dbraw/zinc/32/19/47/214321947.db2.gz KZKKZHYRGVPRCK-ZDUSSCGKSA-N 1 0 331.420 2.020 50 0 EEAARO CC[C@@H]([NH3+])C(=O)N1CCO[C@@H](c2ccccc2Br)C1 ZINC000129573628 529555980 /nfs/dbraw/zinc/55/59/80/529555980.db2.gz OMCRSQZAKZVINA-CHWSQXEVSA-N 1 0 327.222 2.086 50 0 EEAARO Cc1ccc2[nH]c(=O)cc(C(=O)N3CCC[C@]4(CC[N@@H+](C)C4)C3)c2c1 ZINC000067688306 215184032 /nfs/dbraw/zinc/18/40/32/215184032.db2.gz FUHMQXIVKDNKSI-HXUWFJFHSA-N 1 0 339.439 2.394 50 0 EEAARO O=c1[nH]nc(CC2CC[NH+](Cc3cccnc3)CC2)n1-c1ccccc1 ZINC000067743463 215200387 /nfs/dbraw/zinc/20/03/87/215200387.db2.gz WALKAKFZHGXLRN-UHFFFAOYSA-N 1 0 349.438 2.410 50 0 EEAARO CC[C@@H]1CN(C(=O)c2ccc(-c3cnn(C)c3)nc2)CC[N@@H+]1C(C)C ZINC000067785124 215210711 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O=C(Cc1ccc(Cl)cc1)N1CCC(C[NH+]2CCOCC2)CC1 ZINC000036103431 213067858 /nfs/dbraw/zinc/06/78/58/213067858.db2.gz VQWOAXVTBNCUTI-UHFFFAOYSA-N 1 0 336.863 2.453 50 0 EEAARO O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)Nc1cccn2cnnc12 ZINC000096163899 237055703 /nfs/dbraw/zinc/05/57/03/237055703.db2.gz XTOVKGZLTPGUAI-CQSZACIVSA-N 1 0 340.387 2.281 50 0 EEAARO O=C(c1ncccc1O)N1CC[NH+]([C@H]2CCc3ccccc3C2)CC1 ZINC000072120718 216013433 /nfs/dbraw/zinc/01/34/33/216013433.db2.gz ZETVGYBERXJQJM-KRWDZBQOSA-N 1 0 337.423 2.103 50 0 EEAARO CC(=O)c1c(C)nn(CCC(=O)N2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000072165958 216056203 /nfs/dbraw/zinc/05/62/03/216056203.db2.gz ZAKBEMLIKWZCSI-MRXNPFEDSA-N 1 0 334.464 2.035 50 0 EEAARO CC[NH+]1CCN(CCNC(=O)Nc2nc3ccccc3s2)CC1 ZINC000031051859 212722033 /nfs/dbraw/zinc/72/20/33/212722033.db2.gz ZXUYYLUKYUPHQQ-UHFFFAOYSA-N 1 0 333.461 2.055 50 0 EEAARO O=C1OC2(CN1CCOc1ccccc1)CC[NH+]([C@H]1CCOC1)CC2 ZINC000072421876 216210330 /nfs/dbraw/zinc/21/03/30/216210330.db2.gz KFPCZQOISADMTG-INIZCTEOSA-N 1 0 346.427 2.141 50 0 EEAARO CCN1C[C@@]2(CCCN(C(=O)C[NH2+]Cc3ccccc3)C2)CCC1=O ZINC000072447214 216237631 /nfs/dbraw/zinc/23/76/31/216237631.db2.gz ZSAGGAYMQNYIDS-HXUWFJFHSA-N 1 0 343.471 2.027 50 0 EEAARO COc1ccccc1C[N@@H+]1CCC[C@H](c2nnc(CN(C)C)n2C)C1 ZINC000072457985 216243460 /nfs/dbraw/zinc/24/34/60/216243460.db2.gz NISGOBNJKFMVDF-INIZCTEOSA-N 1 0 343.475 2.265 50 0 EEAARO Cc1ncc2c(c1CNC(=O)c1coc3c1C(=O)CCC3)CC[NH2+]C2 ZINC000072480227 216259775 /nfs/dbraw/zinc/25/97/75/216259775.db2.gz RROXJXQUOHMXKC-UHFFFAOYSA-N 1 0 339.395 2.078 50 0 EEAARO COc1ccccc1-c1ncc(CNC[C@]2(O)CCC[NH2+]C2)s1 ZINC000072481387 216261244 /nfs/dbraw/zinc/26/12/44/216261244.db2.gz IUUWWQNDHMVJQQ-KRWDZBQOSA-N 1 0 333.457 2.023 50 0 EEAARO CCSc1ncc(C[N@@H+]2CCC[C@@H](c3cc(=O)[nH]cn3)C2)cn1 ZINC000023582128 212384431 /nfs/dbraw/zinc/38/44/31/212384431.db2.gz IOTVGBLTDYQRTH-CYBMUJFWSA-N 1 0 331.445 2.052 50 0 EEAARO O=c1[nH]c(CN2CC[NH+](CCc3ccccc3)CC2)nc2ccccc21 ZINC000023249093 212363513 /nfs/dbraw/zinc/36/35/13/212363513.db2.gz YEJHZNUATRAWQH-UHFFFAOYSA-N 1 0 348.450 2.283 50 0 EEAARO C[NH+]1CCN([C@H](CNC(=O)Cc2cccs2)c2ccsc2)CC1 ZINC000022794235 212325350 /nfs/dbraw/zinc/32/53/50/212325350.db2.gz ZQPCAGUTCHSJLK-MRXNPFEDSA-N 1 0 349.525 2.457 50 0 EEAARO Cc1ncc(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCCC2)c(=O)[nH]1 ZINC000216137803 241165563 /nfs/dbraw/zinc/16/55/63/241165563.db2.gz PLVMNVZVTALEAT-QGZVFWFLSA-N 1 0 340.427 2.035 50 0 EEAARO Cc1c(Cl)c(C(=O)NCC[N@H+](C)CCc2ccccc2)nn1C ZINC000216243434 241176649 /nfs/dbraw/zinc/17/66/49/241176649.db2.gz DMAWOACSTALSTO-UHFFFAOYSA-N 1 0 334.851 2.286 50 0 EEAARO Cn1c(CSc2nnc([C@@H]3CCC[NH2+]C3)n2C)nc2ccccc21 ZINC000426635660 241320368 /nfs/dbraw/zinc/32/03/68/241320368.db2.gz XQGYFGFHQBORBH-GFCCVEGCSA-N 1 0 342.472 2.461 50 0 EEAARO Cc1cc(=O)c(C(=O)NC[C@H]2CCC[N@@H+](C3CCCCC3)C2)cn1C ZINC000426473406 241294414 /nfs/dbraw/zinc/29/44/14/241294414.db2.gz FHGKKNUGTKVEKB-MRXNPFEDSA-N 1 0 345.487 2.468 50 0 EEAARO CCc1oc(C(=O)N[C@@H]2CCc3c[nH]nc3C2)cc1C[NH+]1CCCC1 ZINC000426597449 241313676 /nfs/dbraw/zinc/31/36/76/241313676.db2.gz VKMUQYLAHYWBID-OAHLLOKOSA-N 1 0 342.443 2.448 50 0 EEAARO O=C(NCc1cn2c(n1)SCC2)c1ccc([C@@H]2CCC[NH2+]2)s1 ZINC000020997071 212196697 /nfs/dbraw/zinc/19/66/97/212196697.db2.gz RADIRPQETVJMCI-NSHDSACASA-N 1 0 334.470 2.405 50 0 EEAARO CN(CC(=O)Nc1ccn(C)n1)CC1([NH+]2CCCCC2)CCCCC1 ZINC000244691879 243061514 /nfs/dbraw/zinc/06/15/14/243061514.db2.gz JKRRSKQDBNLDTR-UHFFFAOYSA-N 1 0 347.507 2.479 50 0 EEAARO COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CN3CCC2CC3)c(F)c1 ZINC000020779100 212171138 /nfs/dbraw/zinc/17/11/38/212171138.db2.gz JZHPWQJOVGMCKS-QGZVFWFLSA-N 1 0 330.407 2.408 50 0 EEAARO COC(=O)C1CCN(C(=O)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000020100570 212100837 /nfs/dbraw/zinc/10/08/37/212100837.db2.gz USHAGLHMQMHTOB-UHFFFAOYSA-N 1 0 344.455 2.310 50 0 EEAARO Cc1ccc(NC(=O)CC[NH+]2CCN(C)CC2)cc1Br ZINC000019848228 212075666 /nfs/dbraw/zinc/07/56/66/212075666.db2.gz 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Cc1ccc(S(=O)(=O)N2CCCSC[C@@H]2C[NH+](C)C)cc1C ZINC000090608946 462803004 /nfs/dbraw/zinc/80/30/04/462803004.db2.gz OVNQXBQMHIFULN-HNNXBMFYSA-N 1 0 342.530 2.361 50 0 EEAARO C[N@H+](C[C@@H]1COCCO1)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000012211377 462846373 /nfs/dbraw/zinc/84/63/73/462846373.db2.gz IRVXMQUMBPYDTB-ZWKOTPCHSA-N 1 0 338.492 2.295 50 0 EEAARO COc1cc(C[N@@H+]2CC[C@]3(C2)CCCNC3=O)cc(Cl)c1OC ZINC000091270311 462868367 /nfs/dbraw/zinc/86/83/67/462868367.db2.gz AAJGENADCAHBAJ-KRWDZBQOSA-N 1 0 338.835 2.459 50 0 EEAARO Cc1nc(N(C)C2CCCCC2)ncc1[C@H](C)NC(=O)C1([NH3+])CC1 ZINC000091636749 462895872 /nfs/dbraw/zinc/89/58/72/462895872.db2.gz VZNCCSAYVHMKJR-LBPRGKRZSA-N 1 0 331.464 2.222 50 0 EEAARO COC(=O)c1c(C)[nH]c(C(=O)NCC(C)(C)[NH+]2CCCCC2)c1C ZINC000014060676 462908529 /nfs/dbraw/zinc/90/85/29/462908529.db2.gz RVLWAXSKIFCARO-UHFFFAOYSA-N 1 0 335.448 2.412 50 0 EEAARO CC(C)[NH+]1CCC(NC(=O)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000014189130 462916859 /nfs/dbraw/zinc/91/68/59/462916859.db2.gz DZJUFOYLSNBSON-UHFFFAOYSA-N 1 0 329.444 2.416 50 0 EEAARO c1cncc(CN2CCC([NH2+][C@H]3CCOC4(CCOCC4)C3)CC2)c1 ZINC000077424939 462983595 /nfs/dbraw/zinc/98/35/95/462983595.db2.gz GHRBZAQMBVRNLP-IBGZPJMESA-N 1 0 345.487 2.364 50 0 EEAARO [NH3+][C@@H](C(=O)N1CCC(OC[C@H]2CCCCO2)CC1)c1ccccc1 ZINC000120501629 463005447 /nfs/dbraw/zinc/00/54/47/463005447.db2.gz RBYGIVXUKMNJQD-QZTJIDSGSA-N 1 0 332.444 2.263 50 0 EEAARO CCC[NH+]1CCC(Cc2noc([C@H]3CCCCn4nnnc43)n2)CC1 ZINC000067642012 463030338 /nfs/dbraw/zinc/03/03/38/463030338.db2.gz HBTYZNFYPFNGNS-AWEZNQCLSA-N 1 0 345.451 2.036 50 0 EEAARO O=C(CCn1cccc1)NCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000021016643 463032268 /nfs/dbraw/zinc/03/22/68/463032268.db2.gz QZZPQURQRPWGTR-UHFFFAOYSA-N 1 0 340.471 2.207 50 0 EEAARO O=C(N1C[C@H]2CC[C@@H]1C[N@H+](CCCc1ccccc1)C2)C1(CO)CC1 ZINC000095515161 463101268 /nfs/dbraw/zinc/10/12/68/463101268.db2.gz CILMAUUANHRQMV-RBUKOAKNSA-N 1 0 342.483 2.315 50 0 EEAARO O=C1c2ccccc2C(=O)N1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000028812389 463233197 /nfs/dbraw/zinc/23/31/97/463233197.db2.gz DELMUQZYCHVXOW-UHFFFAOYSA-N 1 0 349.434 2.100 50 0 EEAARO CC(C)N(C)C(=O)C1CC[NH+](CCn2c3ccccc3oc2=O)CC1 ZINC000030274193 463290987 /nfs/dbraw/zinc/29/09/87/463290987.db2.gz CNTQTCANVIDMGC-UHFFFAOYSA-N 1 0 345.443 2.173 50 0 EEAARO COc1cc(OC)cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1 ZINC000030363304 463296488 /nfs/dbraw/zinc/29/64/88/463296488.db2.gz DGNVBDBXPTWYPH-UHFFFAOYSA-N 1 0 340.423 2.492 50 0 EEAARO COc1ccc(C[NH2+]Cc2ccnc(N3CCOCC3)c2)c(OC)c1 ZINC000030900339 463316512 /nfs/dbraw/zinc/31/65/12/463316512.db2.gz KGCGVJDEDKHXBD-UHFFFAOYSA-N 1 0 343.427 2.225 50 0 EEAARO CC(C)[C@@H](CO)[N@@H+](Cc1ccccc1)Cc1cc(=O)n2nccc2[nH]1 ZINC000101269526 463377524 /nfs/dbraw/zinc/37/75/24/463377524.db2.gz WYAVGYSUMOTHHI-QGZVFWFLSA-N 1 0 340.427 2.042 50 0 EEAARO CN(CCC[NH+]1CCCCCC1)S(=O)(=O)NCc1ccccc1 ZINC000071745800 463419637 /nfs/dbraw/zinc/41/96/37/463419637.db2.gz WBQVUSMNWCNHRG-UHFFFAOYSA-N 1 0 339.505 2.219 50 0 EEAARO C[C@H]1CC([NH2+]CCC(=O)N2CCN(c3ccccc3)CC2)C[C@H](C)O1 ZINC000124982211 463486883 /nfs/dbraw/zinc/48/68/83/463486883.db2.gz PQKJJYOSAIVPOF-IRXDYDNUSA-N 1 0 345.487 2.271 50 0 EEAARO CN(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)N3CCCC3)CC2)cn1 ZINC000082126979 463516945 /nfs/dbraw/zinc/51/69/45/463516945.db2.gz FBPWXFIGLKSGSY-QGZVFWFLSA-N 1 0 345.491 2.308 50 0 EEAARO Cc1cc(C)n(C[C@H]2CCC[N@@H+]2C[C@@H](O)COCc2ccco2)n1 ZINC000106785821 463534750 /nfs/dbraw/zinc/53/47/50/463534750.db2.gz GLHUOYDXHNKZRH-IAGOWNOFSA-N 1 0 333.432 2.135 50 0 EEAARO O=C(C[N@@H+]1CCC[C@H](Cn2cncn2)C1)N1CCC[C@H]2CCCC[C@H]21 ZINC000106844436 463541313 /nfs/dbraw/zinc/54/13/13/463541313.db2.gz IBCTZDVKECMUAY-RCCFBDPRSA-N 1 0 345.491 2.171 50 0 EEAARO COCCOc1cccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1 ZINC000106907338 463548525 /nfs/dbraw/zinc/54/85/25/463548525.db2.gz CTWGXPLNKGKXNM-ZWKOTPCHSA-N 1 0 332.444 2.411 50 0 EEAARO O[C@@H](Cn1cccn1)C[N@@H+]1CCCCC[C@@H]1C[C@H](O)c1ccco1 ZINC000110680922 463662734 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CNC(=O)C[C@H]1CC[N@H+](Cc2ccccc2-n2nc(C)cc2C)C1 ZINC001506418771 1114601234 /nfs/dbraw/zinc/60/12/34/1114601234.db2.gz IWXBSZBRPDNSQU-MRXNPFEDSA-N 1 0 326.444 2.447 50 0 EEAARO O=C(N[C@@H]1COC[C@H]1Cc1ccncc1)C1([NH+]2CCCC2)CCCC1 ZINC001529133804 1121332889 /nfs/dbraw/zinc/33/28/89/1121332889.db2.gz JBHUVRHFFXVCBN-QZTJIDSGSA-N 1 0 343.471 2.164 50 0 EEAARO CCn1cc(C[N@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cn1 ZINC001529190185 1121363498 /nfs/dbraw/zinc/36/34/98/1121363498.db2.gz GBIDAXINAOYFBA-YLJYHZDGSA-N 1 0 336.439 2.487 50 0 EEAARO CC[C@@H](C)c1ccccc1OCC(=O)NCC[NH+]1CCC(O)CC1 ZINC000055109246 214274473 /nfs/dbraw/zinc/27/44/73/214274473.db2.gz AMOHJJZIVPIWLZ-OAHLLOKOSA-N 1 0 334.460 2.152 50 0 EEAARO CCc1oc(C(=O)NCc2nnc3n2CCC3)cc1C[NH+](CC)CC ZINC000055211113 214287941 /nfs/dbraw/zinc/28/79/41/214287941.db2.gz FCHYIWBRVCYTEQ-UHFFFAOYSA-N 1 0 345.447 2.152 50 0 EEAARO COc1ccccc1/C=C/C[NH+]1CCC(n2cc(CCO)nn2)CC1 ZINC000055326119 214307809 /nfs/dbraw/zinc/30/78/09/214307809.db2.gz 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213047758 /nfs/dbraw/zinc/04/77/58/213047758.db2.gz VRHZGKUUZHUBBU-AWEZNQCLSA-N 1 0 347.434 2.121 50 0 EEAARO Cn1c2ccc(C[NH2+]CCCc3nc4ccccc4[nH]3)cc2n(C)c1=O ZINC000035287269 213018358 /nfs/dbraw/zinc/01/83/58/213018358.db2.gz KAPUBASYBAYVIS-UHFFFAOYSA-N 1 0 349.438 2.476 50 0 EEAARO CCCNc1ncc(C[NH+]2CCC(c3cc(=O)[nH]c(C)n3)CC2)cn1 ZINC000072143406 216029007 /nfs/dbraw/zinc/02/90/07/216029007.db2.gz OCXOJBOCHNPXSY-UHFFFAOYSA-N 1 0 342.447 2.482 50 0 EEAARO Cc1nn(C(C)C)c(C)c1C[NH+]1CCC2(C[C@H](C(=O)[O-])[N@H+](C)C2)CC1 ZINC000072143298 216029565 /nfs/dbraw/zinc/02/95/65/216029565.db2.gz MXCXRGAUIPYZGW-QGZVFWFLSA-N 1 0 348.491 2.452 50 0 EEAARO Cc1c(O)cccc1C(=O)N1CCC([C@H](C)[NH+]2CCOCC2)CC1 ZINC000072417906 216205845 /nfs/dbraw/zinc/20/58/45/216205845.db2.gz WPBBANOLOVVLAL-HNNXBMFYSA-N 1 0 332.444 2.274 50 0 EEAARO CC[NH+](CC)CCCNS(=O)(=O)c1cc(C)c(C)cc1OC ZINC000072414627 216204964 /nfs/dbraw/zinc/20/49/64/216204964.db2.gz IYPGLADMATXCEV-UHFFFAOYSA-N 1 0 328.478 2.322 50 0 EEAARO Cc1ccc(N2CCC([N@@H+]3CCC[C@](O)(CO)C3)CC2)cc1Cl ZINC000072423367 216213563 /nfs/dbraw/zinc/21/35/63/216213563.db2.gz LBXBSXCBGBDNIS-GOSISDBHSA-N 1 0 338.879 2.436 50 0 EEAARO CN(C[C@@H]1Cc2ccccc2C[N@@H+]1C)C(=O)CCCc1cn[nH]c1 ZINC000072433411 216228002 /nfs/dbraw/zinc/22/80/02/216228002.db2.gz IYBJOEGKPJXQAE-SFHVURJKSA-N 1 0 326.444 2.248 50 0 EEAARO C[C@@H]1C[N@H+](C2CCN(Cc3cnn(C)c3C3CC3)CC2)C[C@H](C)O1 ZINC000072474915 216253052 /nfs/dbraw/zinc/25/30/52/216253052.db2.gz YPUFNZDWFPYESQ-GASCZTMLSA-N 1 0 332.492 2.371 50 0 EEAARO Cc1ncc2c(c1CNC(=O)[C@@H](C)n1ccnc1C(C)C)CC[NH2+]C2 ZINC000072479452 216258617 /nfs/dbraw/zinc/25/86/17/216258617.db2.gz UDCAOEDCTCUDPK-CQSZACIVSA-N 1 0 341.459 2.233 50 0 EEAARO C[NH+](C)[C@H](CNC(=O)c1n[nH]c(=O)c2ccccc21)c1ccsc1 ZINC000025329782 212474160 /nfs/dbraw/zinc/47/41/60/212474160.db2.gz YOGLYSQDKHWFMN-CQSZACIVSA-N 1 0 342.424 2.017 50 0 EEAARO C[NH2+]Cc1cn(C2CCN(C(=O)/C=C/c3cccc(C)c3)CC2)nn1 ZINC000023505996 212380443 /nfs/dbraw/zinc/38/04/43/212380443.db2.gz MVGLPOHJWJTIBA-VOTSOKGWSA-N 1 0 339.443 2.183 50 0 EEAARO CC(=O)N1CCC([NH2+][C@@H]2CCCN(Cc3ccccc3F)C2)CC1 ZINC000023374090 212372104 /nfs/dbraw/zinc/37/21/04/212372104.db2.gz NAZOWQGXWZHAOP-GOSISDBHSA-N 1 0 333.451 2.391 50 0 EEAARO Cc1cc2oc(=O)cc(C[NH2+]CCN3CCOCC3)c2cc1Cl ZINC000022773273 212323199 /nfs/dbraw/zinc/32/31/99/212323199.db2.gz SDWOLPDWCIIPJG-UHFFFAOYSA-N 1 0 336.819 2.177 50 0 EEAARO CO[C@H]1CC[N@H+](Cc2ccc(OCCCN3CCOCC3)cc2)C1 ZINC000215879217 241153025 /nfs/dbraw/zinc/15/30/25/241153025.db2.gz UQDWUUJAEGCABT-IBGZPJMESA-N 1 0 334.460 2.008 50 0 EEAARO O[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1N1CCOCC1 ZINC000215673489 241135964 /nfs/dbraw/zinc/13/59/64/241135964.db2.gz VHCMCVCEYUNLQS-ROUUACIJSA-N 1 0 344.480 2.292 50 0 EEAARO CC(C)Nc1cc(Sc2nnc(C3CC[NH2+]CC3)n2C)ncn1 ZINC000426492765 241297533 /nfs/dbraw/zinc/29/75/33/241297533.db2.gz HGLVZMDFLITASD-UHFFFAOYSA-N 1 0 333.465 2.044 50 0 EEAARO CCNC(=O)CN1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(C)c1)C2 ZINC000426517982 241302858 /nfs/dbraw/zinc/30/28/58/241302858.db2.gz UFVDUKQQTNOILY-FQEVSTJZSA-N 1 0 329.488 2.419 50 0 EEAARO CN(C)[C@H]([NH3+])CNc1ncc(C(F)(F)F)cc1Br ZINC000221526712 241472559 /nfs/dbraw/zinc/47/25/59/241472559.db2.gz CFHLEVSTMYJCFY-QMMMGPOBSA-N 1 0 327.148 2.121 50 0 EEAARO O=C(NCC1CC[NH+](C2CCOCC2)CC1)c1ccc2c(c1)OCO2 ZINC000225562480 241929576 /nfs/dbraw/zinc/92/95/76/241929576.db2.gz IKAZNMRAWRPYHB-UHFFFAOYSA-N 1 0 346.427 2.036 50 0 EEAARO Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]3CCCC[C@@H]23)c1-n1cccc1 ZINC000230207260 242250380 /nfs/dbraw/zinc/25/03/80/242250380.db2.gz KNHRZLCAJJLOMM-RDJZCZTQSA-N 1 0 341.459 2.205 50 0 biogenic EEAARO CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCC(C(N)=O)CC1)c1ccccc1 ZINC000020940917 212191292 /nfs/dbraw/zinc/19/12/92/212191292.db2.gz CNNJVNQCNOIRPQ-PBHICJAKSA-N 1 0 331.460 2.230 50 0 EEAARO CNC(=O)c1noc(CN(C)CC2([NH+]3CCCCC3)CCCCC2)n1 ZINC000244794991 243085868 /nfs/dbraw/zinc/08/58/68/243085868.db2.gz QXSDMLIQQWJHCL-UHFFFAOYSA-N 1 0 349.479 2.050 50 0 EEAARO Nc1nc(N2CCC(c3cccc(O)c3)CC2)cc([C@H]2C[C@@H](O)C2)[nH+]1 ZINC000244873344 243091022 /nfs/dbraw/zinc/09/10/22/243091022.db2.gz WOOHJQWLBMRSFH-FZNQNYSPSA-N 1 0 340.427 2.387 50 0 EEAARO Cc1nc2c(c(C)n1)C[C@@H](C[N@@H+](C)Cc1ccc3c(c1)OCO3)O2 ZINC000244874398 243096069 /nfs/dbraw/zinc/09/60/69/243096069.db2.gz XAQJWWTZMSOPFU-AWEZNQCLSA-N 1 0 327.384 2.258 50 0 EEAARO OCC[C@H]1CN(Cc2ccc3c(c2)CCO3)CC[N@@H+]1C1CCCC1 ZINC000019782128 212066540 /nfs/dbraw/zinc/06/65/40/212066540.db2.gz STOYIYYPQRSQTK-IBGZPJMESA-N 1 0 330.472 2.433 50 0 EEAARO C[C@H](Oc1ccccc1Br)C(=O)NC1CC[NH+](C)CC1 ZINC000012380623 211362429 /nfs/dbraw/zinc/36/24/29/211362429.db2.gz NBUQNSWSYCOEKO-NSHDSACASA-N 1 0 341.249 2.427 50 0 EEAARO O=C(NC[C@@H]1CCC[N@H+](CCCn2cccn2)C1)c1cccs1 ZINC000012076174 211286905 /nfs/dbraw/zinc/28/69/05/211286905.db2.gz JPCUGNHLBZMYNA-HNNXBMFYSA-N 1 0 332.473 2.477 50 0 EEAARO O=C(CN1CCCCC1=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012072418 211286721 /nfs/dbraw/zinc/28/67/21/211286721.db2.gz HUBJTHRJCOUABY-KRWDZBQOSA-N 1 0 335.492 2.160 50 0 EEAARO O=C1N(Cc2ccc(F)c(F)c2)CCC[C@@]1(O)C[NH2+]C1CCCC1 ZINC000012022125 211279866 /nfs/dbraw/zinc/27/98/66/211279866.db2.gz HJWJRPBIDMAXDT-GOSISDBHSA-N 1 0 338.398 2.351 50 0 EEAARO CC(C)CCN1C[C@@]2(CCCN(C(=O)C[NH+]3CCCC3)C2)CCC1=O ZINC000091476587 218012443 /nfs/dbraw/zinc/01/24/43/218012443.db2.gz ANMGVYGEWPQRIQ-FQEVSTJZSA-N 1 0 349.519 2.360 50 0 EEAARO C[C@H](c1nncn1C)n1cc(-c2cc(C[NH+]3CCCC3)cs2)nn1 ZINC000091518715 218016434 /nfs/dbraw/zinc/01/64/34/218016434.db2.gz MXAVSYJCYVWKTO-GFCCVEGCSA-N 1 0 343.460 2.340 50 0 EEAARO Cc1c[nH+]ccc1NCCNC(=O)c1cc(-c2ccccc2O)n[nH]1 ZINC000091526570 218018208 /nfs/dbraw/zinc/01/82/08/218018208.db2.gz MADFRKBMIPQWTA-UHFFFAOYSA-N 1 0 337.383 2.328 50 0 EEAARO COc1ccc2[nH]c(=O)c(CN3C[C@H]4CC[C@@H]3C[N@H+](C)C4)cc2c1 ZINC000091562956 218022911 /nfs/dbraw/zinc/02/29/11/218022911.db2.gz JRFDUVDXMIICGR-XJKSGUPXSA-N 1 0 327.428 2.063 50 0 EEAARO C[NH+](C)C1(CNC(=O)c2cc(-c3ccccc3F)n[nH]2)CCOCC1 ZINC000091586922 218025605 /nfs/dbraw/zinc/02/56/05/218025605.db2.gz PMZMEBRZCGDNDE-UHFFFAOYSA-N 1 0 346.406 2.056 50 0 EEAARO COc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(C)=O)C3)cc(OC)c1OC ZINC000091603324 218030436 /nfs/dbraw/zinc/03/04/36/218030436.db2.gz WBHWMKBEWGPRRX-GOEBONIOSA-N 1 0 348.443 2.155 50 0 EEAARO COc1ccc(CN2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)cc1Cl ZINC000091603493 218030559 /nfs/dbraw/zinc/03/05/59/218030559.db2.gz YSYZOVGSKCXRPX-CABCVRRESA-N 1 0 326.868 2.341 50 0 EEAARO COc1cccc2c1OCC(C[NH+]1CCC3(CC1)[C@H](O)C[C@@H]3OC)=C2 ZINC000091616547 218031213 /nfs/dbraw/zinc/03/12/13/218031213.db2.gz ITSDDMKTKQIDAT-MSOLQXFVSA-N 1 0 345.439 2.333 50 0 EEAARO CC(=O)c1ccc(S(=O)(=O)N2C[C@@H](C(C)C)[C@H]([NH+](C)C)C2)cc1 ZINC000091691279 218048603 /nfs/dbraw/zinc/04/86/03/218048603.db2.gz VVKGODSMHCRQEG-DLBZAZTESA-N 1 0 338.473 2.096 50 0 EEAARO C[C@@H]1C[N@H+](CCC(=O)NCc2ccccc2Cl)C[C@@]1(O)C1CC1 ZINC000091745768 218057599 /nfs/dbraw/zinc/05/75/99/218057599.db2.gz QEPXNFHRLFPCAG-ACJLOTCBSA-N 1 0 336.863 2.439 50 0 EEAARO COCCC(=O)N1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095358769 218291439 /nfs/dbraw/zinc/29/14/39/218291439.db2.gz CYVBVVYAWOOLJM-DFQSSKMNSA-N 1 0 328.456 2.420 50 0 EEAARO CCC(=O)N1C[C@@H](c2ccc3c(c2)OCO3)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095364625 218298153 /nfs/dbraw/zinc/29/81/53/218298153.db2.gz OVBVYNPYZSESQO-GDIGMMSISA-N 1 0 328.412 2.214 50 0 EEAARO C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1csc(-c2ncccn2)n1 ZINC000095373031 218304937 /nfs/dbraw/zinc/30/49/37/218304937.db2.gz JROKBCGBFFKICU-AWEZNQCLSA-N 1 0 345.472 2.481 50 0 EEAARO Cc1nc(CN2CC[NH+](C[C@@H]3CCOc4ccccc4C3)CC2)no1 ZINC000095500367 218414535 /nfs/dbraw/zinc/41/45/35/218414535.db2.gz VDZCPUWHTSCKRY-MRXNPFEDSA-N 1 0 342.443 2.137 50 0 EEAARO C[C@H](c1ccc(C(=O)NC2(C(N)=O)CCCC2)o1)[NH+]1CCCCC1 ZINC000097259234 219006046 /nfs/dbraw/zinc/00/60/46/219006046.db2.gz QSMAVXWMZQABLG-CYBMUJFWSA-N 1 0 333.432 2.354 50 0 EEAARO COc1cccc(C)c1NC(=O)N1CCCN(C)C2(CC[NH2+]CC2)C1 ZINC000097601061 219040285 /nfs/dbraw/zinc/04/02/85/219040285.db2.gz ZNJSAASSCDGZBQ-UHFFFAOYSA-N 1 0 346.475 2.295 50 0 EEAARO COc1ccc(NC(=O)N2CCCO[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000299790177 258096148 /nfs/dbraw/zinc/09/61/48/258096148.db2.gz MLWSBDBWCJGENV-INIZCTEOSA-N 1 0 348.447 2.199 50 0 EEAARO Cc1cc(C)n(CC[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)c(=O)n1 ZINC000055060908 258061065 /nfs/dbraw/zinc/06/10/65/258061065.db2.gz GCBGNPAVWWUMJE-UHFFFAOYSA-N 1 0 341.390 2.179 50 0 EEAARO c1cnc(N2CCC([NH2+]CCN3CCc4ccccc4C3)CC2)nc1 ZINC000095502191 285543100 /nfs/dbraw/zinc/54/31/00/285543100.db2.gz YNQYHDCVLTXYJT-UHFFFAOYSA-N 1 0 337.471 2.093 50 0 EEAARO COc1ccc([C@@H]2CC[NH2+]C[C@H]2NC(=O)CC[C@H]2CCOC2)cc1 ZINC000344019867 161190550 /nfs/dbraw/zinc/19/05/50/161190550.db2.gz YAOFBUJNLYEVCB-JCGIZDLHSA-N 1 0 332.444 2.074 50 0 EEAARO C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC(=O)[C@@H]1CSC(=O)N1 ZINC000122268515 222049151 /nfs/dbraw/zinc/04/91/51/222049151.db2.gz KLYJEBBDXWNSOP-NFAWXSAZSA-N 1 0 347.484 2.084 50 0 EEAARO COc1cccc2ccc(N3CCC4(CC3)C[N@H+](C)CCN4C)nc21 ZINC000067489548 274155220 /nfs/dbraw/zinc/15/52/20/274155220.db2.gz PPMHONFLZTXXAF-UHFFFAOYSA-N 1 0 340.471 2.460 50 0 EEAARO CCN(C(=O)CNC(=O)C1CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000106517555 276299324 /nfs/dbraw/zinc/29/93/24/276299324.db2.gz YKEDWJFFVVMREL-CRAIPNDOSA-N 1 0 343.471 2.197 50 0 EEAARO C[NH+](C)CCn1cnc2c3cc(Br)ccc3[nH]c2c1=O ZINC000000525972 276794474 /nfs/dbraw/zinc/79/44/74/276794474.db2.gz AMKGZESRZVLYTI-UHFFFAOYSA-N 1 0 335.205 2.202 50 0 biogenic EEAARO Cc1cn2c(nc(C)c2[C@H]2NC(=[NH2+])Nc3nc4ccccc4n32)s1 ZINC000008777720 302324756 /nfs/dbraw/zinc/32/47/56/302324756.db2.gz SCPMXEWJRJUIET-ZDUSSCGKSA-N 1 0 337.412 2.459 50 0 EEAARO COc1ccc(CC[NH2+][C@@H]2CC[C@@H](C)[C@@H](C)C2)cc1S(N)(=O)=O ZINC000130412855 323328682 /nfs/dbraw/zinc/32/86/82/323328682.db2.gz QHMBDMJRAWJXHZ-VNHYZAJKSA-N 1 0 340.489 2.299 50 0 EEAARO Cc1cc(C)n(C2CN(C(=O)NCc3ccc(C[NH+](C)C)cc3)C2)n1 ZINC000534654287 468270654 /nfs/dbraw/zinc/27/06/54/468270654.db2.gz CJDXKNCNIYBLIH-UHFFFAOYSA-N 1 0 341.459 2.328 50 0 EEAARO C[C@H](CCc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(C(N)=O)c1 ZINC000000000416 462540113 /nfs/dbraw/zinc/54/01/13/462540113.db2.gz SGUAFYQXFOLMHL-FZKQIMNGSA-N 1 0 328.412 2.135 50 0 fda EEAARO OCC[NH2+]CCCCOc1ccc(I)cc1 ZINC000002901842 462606921 /nfs/dbraw/zinc/60/69/21/462606921.db2.gz XCROYSIYACXFFM-UHFFFAOYSA-N 1 0 335.185 2.032 50 0 EEAARO COCC[NH+](CCOC)C[C@H](O)COc1ccccc1C(C)C ZINC000006949352 462714069 /nfs/dbraw/zinc/71/40/69/462714069.db2.gz HBOLQHLGOKIVHA-INIZCTEOSA-N 1 0 325.449 2.145 50 0 EEAARO Cc1ccccc1NC(=O)NCCNc1cc(N(C)C)nc(C)[nH+]1 ZINC000065363542 462758969 /nfs/dbraw/zinc/75/89/69/462758969.db2.gz YNEXCNQGKUEHMV-UHFFFAOYSA-N 1 0 328.420 2.393 50 0 EEAARO O=C(NCCSc1c[nH]nn1)[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000065395929 462763688 /nfs/dbraw/zinc/76/36/88/462763688.db2.gz LBAGOAMDBFZVHB-CYBMUJFWSA-N 1 0 337.493 2.058 50 0 EEAARO COc1ccc(-c2nc3ncccc3o2)cc1NC(=O)[C@H]1C=CC[NH2+]1 ZINC000065532583 462791005 /nfs/dbraw/zinc/79/10/05/462791005.db2.gz DIUXVNUHKFDFJW-GFCCVEGCSA-N 1 0 336.351 2.365 50 0 EEAARO COC(=O)c1ccccc1NC(=O)C[NH2+]Cn1cnc2ccccc21 ZINC000008717095 462791443 /nfs/dbraw/zinc/79/14/43/462791443.db2.gz WKWFITYWBMSICN-UHFFFAOYSA-N 1 0 338.367 2.009 50 0 EEAARO CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(OC)nc3)cc2)CC1 ZINC000011951461 462841365 /nfs/dbraw/zinc/84/13/65/462841365.db2.gz CZWZEEUFZBZSRI-UHFFFAOYSA-N 1 0 340.427 2.484 50 0 EEAARO CCc1cccc(OC2CN(C(=O)C[C@H]3C[N@@H+](C(C)C)CCO3)C2)c1 ZINC000091305613 462871919 /nfs/dbraw/zinc/87/19/19/462871919.db2.gz WLUZDNNKIVPPEI-SFHVURJKSA-N 1 0 346.471 2.338 50 0 EEAARO CCn1c(Cn2cncn2)nnc1C1CC[NH+](C2CCCCC2)CC1 ZINC000091364409 462875496 /nfs/dbraw/zinc/87/54/96/462875496.db2.gz QTIJBKDHQIOTPT-UHFFFAOYSA-N 1 0 343.479 2.450 50 0 EEAARO [NH2+]=C1NC(Nc2ccc(Cl)cc2)=N[C@]2(N1)C(=O)Nc1ccccc12 ZINC000019327113 463016484 /nfs/dbraw/zinc/01/64/84/463016484.db2.gz MSIBCJHILDGGTL-INIZCTEOSA-N 1 0 340.774 2.041 50 0 EEAARO CCNc1cc(N2CCN(C(=O)c3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000067601798 463024056 /nfs/dbraw/zinc/02/40/56/463024056.db2.gz SPKROPFGDFTFIK-UHFFFAOYSA-N 1 0 343.406 2.318 50 0 EEAARO c1cc(CN2CCC[C@@H]([NH+]3CCN(c4ccccc4)CC3)C2)no1 ZINC000020295685 463025452 /nfs/dbraw/zinc/02/54/52/463025452.db2.gz MMSPDJIHQIUFHY-LJQANCHMSA-N 1 0 326.444 2.461 50 0 EEAARO C[C@H]1C[N@H+](C)C(C)(C)CN1Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067885235 463063274 /nfs/dbraw/zinc/06/32/74/463063274.db2.gz DQUVHCNDSXWPGH-LBPRGKRZSA-N 1 0 343.427 2.171 50 0 EEAARO CC[N@@H+]1CCC[C@H]1CNC(=O)C1(c2ccc(OC)cc2)CCOCC1 ZINC000095473706 463091719 /nfs/dbraw/zinc/09/17/19/463091719.db2.gz ZLJDNWWYINOQKH-KRWDZBQOSA-N 1 0 346.471 2.344 50 0 EEAARO CCC(CC)[C@@H](CNC(=O)c1ccc[nH]c1=S)[NH+]1CCOCC1 ZINC000024927684 463102410 /nfs/dbraw/zinc/10/24/10/463102410.db2.gz DUMHBYCZNDVJBF-OAHLLOKOSA-N 1 0 337.489 2.237 50 0 EEAARO O=C(CO)N(Cc1cccnc1)C[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000095528099 463105490 /nfs/dbraw/zinc/10/54/90/463105490.db2.gz IQIQFJXCUDXALL-SFHVURJKSA-N 1 0 345.487 2.447 50 0 EEAARO Cc1ccc(OC[C@@H](O)C[N@H+](CCC(N)=O)Cc2ccccc2)cc1 ZINC000025302939 463117453 /nfs/dbraw/zinc/11/74/53/463117453.db2.gz GZVLLGSEOGCAKU-SFHVURJKSA-N 1 0 342.439 2.112 50 0 EEAARO C[NH+](C)[C@@H](CNC(=O)c1ccc(-n2cncn2)cc1)c1ccsc1 ZINC000025330658 463119952 /nfs/dbraw/zinc/11/99/52/463119952.db2.gz KHCGBFLLGDAQLS-INIZCTEOSA-N 1 0 341.440 2.362 50 0 EEAARO O[C@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccc2c(c1)OCO2 ZINC000025571784 463130651 /nfs/dbraw/zinc/13/06/51/463130651.db2.gz MQTGVINCFGNMPP-QGZVFWFLSA-N 1 0 326.396 2.271 50 0 EEAARO CC(=O)c1cccc(OC[C@@H](O)CNCC[NH+](C(C)C)C(C)C)c1 ZINC000025702095 463135287 /nfs/dbraw/zinc/13/52/87/463135287.db2.gz RQHIEGKLBYZTLD-SFHVURJKSA-N 1 0 336.476 2.337 50 0 EEAARO C[N@@H+]1C[C@H](NC(=O)Nc2ccc(C(F)(F)F)c(F)c2)C[C@H]1CO ZINC000096153579 463187831 /nfs/dbraw/zinc/18/78/31/463187831.db2.gz DCRRYHOFFHEKDX-ZJUUUORDSA-N 1 0 335.301 2.031 50 0 EEAARO Cc1ccc([C@@H](NC(=O)CSc2nc(N)cc(N)[nH+]2)C2CC2)cc1 ZINC000031355634 463337335 /nfs/dbraw/zinc/33/73/35/463337335.db2.gz HKZPDBDGBMXVQP-MRXNPFEDSA-N 1 0 343.456 2.309 50 0 EEAARO CCc1nnc2n1C[C@@H]([NH2+][C@H](C)C(=O)NCCC1=CCCCC1)CC2 ZINC000097199507 463343963 /nfs/dbraw/zinc/34/39/63/463343963.db2.gz RYPJSMPPICMJCZ-ZBFHGGJFSA-N 1 0 345.491 2.140 50 0 EEAARO C[NH+](C)C[C@H](NC(=O)CCNC(=O)c1ccccc1)c1ccccc1 ZINC000032781252 463394208 /nfs/dbraw/zinc/39/42/08/463394208.db2.gz QKWGBFDJSKSTDC-SFHVURJKSA-N 1 0 339.439 2.226 50 0 EEAARO C[NH+](C)[C@@H](Cn1c(=O)[nH]c2ccccc2c1=O)c1cccc(F)c1 ZINC000032816906 463396214 /nfs/dbraw/zinc/39/62/14/463396214.db2.gz WRCWCGFXOBWDHC-INIZCTEOSA-N 1 0 327.359 2.132 50 0 EEAARO Cc1cc(=O)oc2c(C)c(OCC(=O)OC3CC[NH+](C)CC3)ccc12 ZINC000032899632 463400928 /nfs/dbraw/zinc/40/09/28/463400928.db2.gz YPTVYZHPYXERFG-UHFFFAOYSA-N 1 0 345.395 2.426 50 0 EEAARO COC[C@H]1CCCC[N@@H+]1Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000071278743 463412966 /nfs/dbraw/zinc/41/29/66/463412966.db2.gz SFZNOMSLYXCYRI-CQSZACIVSA-N 1 0 330.384 2.258 50 0 EEAARO CCCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(Cc3ccncc3)CC2)C1 ZINC000071767957 463424578 /nfs/dbraw/zinc/42/45/78/463424578.db2.gz NAKGBFYQXDQFHD-GOSISDBHSA-N 1 0 344.503 2.284 50 0 EEAARO COc1cccc(-c2cc(C(=O)NCC[NH+]3CCCCC3)nn2C)c1 ZINC000034901417 463430478 /nfs/dbraw/zinc/43/04/78/463430478.db2.gz YEUYFLOGMWBXRB-UHFFFAOYSA-N 1 0 342.443 2.311 50 0 EEAARO COc1ccc([C@@H]2CC[N@@H+]([C@H](C)C(=O)NC(=O)NC(C)C)C2)cc1 ZINC000106636985 463529643 /nfs/dbraw/zinc/52/96/43/463529643.db2.gz OMPHZIZANPKKSQ-UKRRQHHQSA-N 1 0 333.432 2.107 50 0 EEAARO COc1ccc([C@@H](CO)[N@H+](C)C[C@H](O)COc2ccc(F)cc2)cc1 ZINC000106798969 463536941 /nfs/dbraw/zinc/53/69/41/463536941.db2.gz YIMUIQIHZCLOLI-QFBILLFUSA-N 1 0 349.402 2.239 50 0 EEAARO Nc1nc(C2CC([NH3+])C2)cc(N2CCc3c(Cl)cccc3C2)n1 ZINC000222573556 464131824 /nfs/dbraw/zinc/13/18/24/464131824.db2.gz WSQDCIRXQDGUNQ-UHFFFAOYSA-N 1 0 329.835 2.480 50 0 EEAARO CC[N@H+](Cc1ccncc1)[C@@H]1CCCN(C(=O)[C@H]2CC[C@@H](O)CC2)C1 ZINC000244852931 464463638 /nfs/dbraw/zinc/46/36/38/464463638.db2.gz VCAAJSDFBTZTQM-QRVBRYPASA-N 1 0 345.487 2.446 50 0 EEAARO COc1ccccc1C1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000252481997 464960018 /nfs/dbraw/zinc/96/00/18/464960018.db2.gz CWOLNTGVACEBQI-UHFFFAOYSA-N 1 0 340.489 2.156 50 0 EEAARO CC(C)[C@@H](NC(=O)N1CCC([NH+]2CCCC2)CC1)c1nccn1C ZINC000534589076 468267025 /nfs/dbraw/zinc/26/70/25/468267025.db2.gz ICSMFWGJBKNRMQ-MRXNPFEDSA-N 1 0 333.480 2.387 50 0 EEAARO COc1ccc(C(=O)N2CCC[C@@H](CSC)C2)c(OCC[NH3+])c1 ZINC000426497324 536717361 /nfs/dbraw/zinc/71/73/61/536717361.db2.gz WHMMFUGFLHIBFB-CYBMUJFWSA-N 1 0 338.473 2.248 50 0 EEAARO Cc1ccc2c(c1)[C@@H](CC(=O)N1CCC[N@@H+]3CCC[C@@H]3C1)C(=O)N2 ZINC000019788144 1229406821 /nfs/dbraw/zinc/40/68/21/1229406821.db2.gz NJNGMPZQIZJIFQ-GDBMZVCRSA-N 1 0 327.428 2.118 50 0 EEAARO CC(C)(C)CN1CCC[C@](O)(C[N@@H+]2CCc3ccccc3C2)C1=O ZINC000019840875 1229420637 /nfs/dbraw/zinc/42/06/37/1229420637.db2.gz CVUCNOIQVXNOFP-FQEVSTJZSA-N 1 0 330.472 2.444 50 0 EEAARO O=C(CCOc1ccccc1)N1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC001198106401 1284984358 /nfs/dbraw/zinc/98/43/58/1284984358.db2.gz WGNXINXYCQFWEQ-GOSISDBHSA-N 1 0 346.471 2.416 50 0 EEAARO CC(C)[NH+]1CCC(CN2CCc3nc[nH]c3[C@@H]2c2nccn2C)CC1 ZINC000071764490 1370278857 /nfs/dbraw/zinc/27/88/57/1370278857.db2.gz BFAREWBJVMXOKT-GOSISDBHSA-N 1 0 342.491 2.211 50 0 EEAARO Cc1ncc(C[NH2+][C@H]2CC(=O)N(CCCc3ccccc3)C2)n1C ZINC000012447312 783096616 /nfs/dbraw/zinc/09/66/16/783096616.db2.gz IXESPGLFIXOQSV-KRWDZBQOSA-N 1 0 326.444 2.052 50 0 EEAARO CN(CC1([NH+]2CCCCC2)CCCCC1)S(=O)(=O)N1CCCC1 ZINC000952865328 796069911 /nfs/dbraw/zinc/06/99/11/796069911.db2.gz QWPDIQGXGFJGSB-UHFFFAOYSA-N 1 0 343.537 2.448 50 0 EEAARO O=C(CCC(=O)N1CC([NH+]2CCCCC2)C1)Nc1cccc(F)c1 ZINC000952964714 796085046 /nfs/dbraw/zinc/08/50/46/796085046.db2.gz PCOJBYZUWHCQHU-UHFFFAOYSA-N 1 0 333.407 2.241 50 0 EEAARO C[NH+]1CCC(Oc2ccc(NC(=O)CCCn3cncn3)cc2)CC1 ZINC000952976765 796122438 /nfs/dbraw/zinc/12/24/38/796122438.db2.gz HRBGDOUVZIJXMY-UHFFFAOYSA-N 1 0 343.431 2.170 50 0 EEAARO Cc1nn(C)cc1C(=O)Nc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000952984435 796148805 /nfs/dbraw/zinc/14/88/05/796148805.db2.gz VRNYHLXVAKMNIK-UHFFFAOYSA-N 1 0 328.416 2.454 50 0 EEAARO