smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@H]43)cc2)CC1 ZINC000775736024 577444269 /nfs/dbraw/zinc/44/42/69/577444269.db2.gz JJDSNXLMQFJXLD-UYAOXDASSA-N 2 0 329.488 2.439 10 10 EECERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001266725539 1177310226 /nfs/dbraw/zinc/31/02/26/1177310226.db2.gz KXSJFBIRYPMEOP-BBWFWOEESA-N 2 0 333.476 2.081 10 10 EECERP COc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1O ZINC000850357757 1277196957 /nfs/dbraw/zinc/19/69/57/1277196957.db2.gz UNEZGGLBBXQQDD-GOSISDBHSA-N 2 0 342.439 2.257 10 10 EECERP CN(C)c1ccc(/C=C/C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122029 1315848131 /nfs/dbraw/zinc/84/81/31/1315848131.db2.gz NNYLBTVONGKFMP-ZMBJWTFHSA-N 2 0 344.503 2.085 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001662263629 1354770782 /nfs/dbraw/zinc/77/07/82/1354770782.db2.gz VGGRYYLVZCCWIC-NVXWUHKLSA-N 2 0 333.476 2.082 10 10 EECERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917136 785068199 /nfs/dbraw/zinc/06/81/99/785068199.db2.gz NVKSUDKMWASTKK-PZJWPPBQSA-N 3 0 342.531 2.436 10 10 EECERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567951960 1124201928 /nfs/dbraw/zinc/20/19/28/1124201928.db2.gz DKXCYIRVWWPEOK-SJORKVTESA-N 2 0 333.476 2.082 10 10 EECERP CCOc1ccc(O)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248550 467967925 /nfs/dbraw/zinc/96/79/25/467967925.db2.gz MFFICYQTLMNKJL-SFHVURJKSA-N 2 0 334.460 2.381 10 10 EECERP COc1cc(Cl)cc(C[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1O ZINC000826902891 1248115525 /nfs/dbraw/zinc/11/55/25/1248115525.db2.gz MIZPDDGBRJPQHZ-ZDUSSCGKSA-N 2 0 343.899 2.416 10 10 EECERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001490940339 1258493595 /nfs/dbraw/zinc/49/35/95/1258493595.db2.gz GFBLHEWZKIBJRX-QAQDUYKDSA-N 2 0 333.476 2.082 10 10 EECERP C[C@H]1CC2(C[N@@H+]1Cc1ccc(N3CCOCC3)cc1)CC[NH2+]CC2 ZINC000818431412 785262992 /nfs/dbraw/zinc/26/29/92/785262992.db2.gz LPIVATPDYDTCGI-KRWDZBQOSA-N 2 0 329.488 2.487 10 10 EECERP c1cc(C[NH2+]Cc2ccc3c(c2)CCCO3)c(O[C@H]2CC[NH2+]C2)cn1 ZINC000904451230 694399370 /nfs/dbraw/zinc/39/93/70/694399370.db2.gz XXGPBAQRMYUIAP-SFHVURJKSA-N 2 0 339.439 2.437 10 10 EECERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000925855910 1206161719 /nfs/dbraw/zinc/16/17/19/1206161719.db2.gz VOTWIEMNQXSOBH-ZWKOTPCHSA-N 2 0 345.487 2.479 10 10 EECERP C[N@@H+](Cc1ccc(N2CCOCC2)cc1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000903878766 1242292274 /nfs/dbraw/zinc/29/22/74/1242292274.db2.gz YIEWJOIMQJVJQJ-YQQQUEKLSA-N 2 0 329.488 2.486 10 10 EECERP Oc1ccc(Cl)cc1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980087 1242841712 /nfs/dbraw/zinc/84/17/12/1242841712.db2.gz GXFZKYJVKBLHDJ-CALCHBBNSA-N 2 0 335.879 2.446 10 10 EECERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265452573 1323162912 /nfs/dbraw/zinc/16/29/12/1323162912.db2.gz LFANQEGTMVQNBJ-KRWDZBQOSA-N 2 0 333.476 2.036 10 10 EECERP CC[NH+](CC)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@H]3O)CC1 ZINC000768447956 577555951 /nfs/dbraw/zinc/55/59/51/577555951.db2.gz RYWDEWMKKQTBSY-GOSISDBHSA-N 2 0 334.460 2.372 10 10 EECERP C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763343980 577719601 /nfs/dbraw/zinc/71/96/01/577719601.db2.gz ZNLSNKWNAQUULZ-OXQOHEQNSA-N 2 0 343.515 2.339 10 10 EECERP c1cc2c(cc1C[NH2+]C1CCC([NH+]3CCNCC3)CC1)CCCO2 ZINC000904358613 694372569 /nfs/dbraw/zinc/37/25/69/694372569.db2.gz QEWPBPYXPVJFBO-UHFFFAOYSA-N 2 0 329.488 2.318 10 10 EECERP COc1ccc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)cc1C ZINC001274296154 1204988093 /nfs/dbraw/zinc/98/80/93/1204988093.db2.gz AVHHBUMCPLHBCF-WMZOPIPTSA-N 2 0 347.503 2.280 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC001274893829 1205202818 /nfs/dbraw/zinc/20/28/18/1205202818.db2.gz CFRUMVITQPXEEP-RYRKJORJSA-N 2 0 347.503 2.328 10 10 EECERP CC1(C)[C@@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925501973 1206120312 /nfs/dbraw/zinc/12/03/12/1206120312.db2.gz JVSIUDGLCMKRKF-QYZOEREBSA-N 2 0 329.488 2.389 10 10 EECERP CC[NH+]1CCN(c2ccc(CN[C@H]3CC[NH2+]C34CCC4)cc2F)CC1 ZINC000925557881 1206127873 /nfs/dbraw/zinc/12/78/73/1206127873.db2.gz PHXNOXLYPXEYBP-IBGZPJMESA-N 2 0 346.494 2.342 10 10 EECERP Cc1cc(C)c([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(O)c1 ZINC000925850727 1206160585 /nfs/dbraw/zinc/16/05/85/1206160585.db2.gz POINZNZMGUEVHD-GJZGRUSLSA-N 2 0 332.444 2.345 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC000843118238 1315847197 /nfs/dbraw/zinc/84/71/97/1315847197.db2.gz DZTCCTVSWGOCRK-FQEVSTJZSA-N 3 0 328.504 2.014 10 10 EECERP COc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001265624161 1323275890 /nfs/dbraw/zinc/27/58/90/1323275890.db2.gz MPDBRNLCDSVGHL-SFHVURJKSA-N 2 0 347.503 2.284 10 10 EECERP C[C@H](CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001304769320 1331396343 /nfs/dbraw/zinc/39/63/43/1331396343.db2.gz VATLLSUTKSGTDT-QAPCUYQASA-N 2 0 334.508 2.059 10 10 EECERP COc1ccc(O)c(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1 ZINC000793369523 810290913 /nfs/dbraw/zinc/29/09/13/810290913.db2.gz JKFXCSAVSKHVMB-UHFFFAOYSA-N 2 0 329.400 2.127 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001493653620 1108459834 /nfs/dbraw/zinc/45/98/34/1108459834.db2.gz KXCJHLNPGBOZBB-UHFFFAOYSA-N 2 0 347.503 2.426 10 10 EECERP COc1cc(C)cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000754732675 577811662 /nfs/dbraw/zinc/81/16/62/577811662.db2.gz UHCKYYWOKJTESO-GOSISDBHSA-N 2 0 347.503 2.311 10 10 EECERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001485695260 1191902651 /nfs/dbraw/zinc/90/26/51/1191902651.db2.gz DIANKKIKIYFUCA-BZSNNMDCSA-N 2 0 347.503 2.328 10 10 EECERP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C12CCC2 ZINC000925500355 1206120136 /nfs/dbraw/zinc/12/01/36/1206120136.db2.gz DNTLNEAYWJUQNW-RBUKOAKNSA-N 2 0 329.488 2.255 10 10 EECERP Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(O)c1C ZINC000925857618 1206162195 /nfs/dbraw/zinc/16/21/95/1206162195.db2.gz PVOGITDQZJSHMC-LSDHHAIUSA-N 2 0 332.444 2.345 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[NH+]2CCCC2)cc1C ZINC001568319210 1124418344 /nfs/dbraw/zinc/41/83/44/1124418344.db2.gz KYSNVDUQBUMIKG-MRXNPFEDSA-N 2 0 333.476 2.036 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736022 577444258 /nfs/dbraw/zinc/44/42/58/577444258.db2.gz JJDSNXLMQFJXLD-ICSRJNTNSA-N 2 0 329.488 2.439 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1C ZINC001267473566 1179105231 /nfs/dbraw/zinc/10/52/31/1179105231.db2.gz KQRRXPYJFLHVAU-CALCHBBNSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001265782872 1323378591 /nfs/dbraw/zinc/37/85/91/1323378591.db2.gz CYFKMUJXPMHHBA-HNNXBMFYSA-N 2 0 333.476 2.082 10 10 EECERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321864927 1333170309 /nfs/dbraw/zinc/17/03/09/1333170309.db2.gz BDGAKMBSIAFZMU-FUHWJXTLSA-N 2 0 347.503 2.472 10 10 EECERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567974353 1124212699 /nfs/dbraw/zinc/21/26/99/1124212699.db2.gz XMJKCPICGUHWKV-MSOLQXFVSA-N 2 0 347.503 2.472 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@H](CO)c3ccsc3)cc2)CC1 ZINC000769931694 577587333 /nfs/dbraw/zinc/58/73/33/577587333.db2.gz BJJHWSUJPATYTB-GOSISDBHSA-N 2 0 331.485 2.323 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)cc1C ZINC001485960700 1193659757 /nfs/dbraw/zinc/65/97/57/1193659757.db2.gz KMAXZHLMYDULOQ-MRXNPFEDSA-N 2 0 335.492 2.280 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1C ZINC001275297000 1205301005 /nfs/dbraw/zinc/30/10/05/1205301005.db2.gz CKOZFRBHXQBQHL-MAUKXSAKSA-N 2 0 335.492 2.184 10 10 EECERP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+]C1CCOCC1 ZINC000092855754 1214678516 /nfs/dbraw/zinc/67/85/16/1214678516.db2.gz TVHBFGKZECTFSR-UHFFFAOYSA-N 2 0 329.488 2.487 10 10 EECERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(F)c(N(C)C)cc1F ZINC000858187139 1294037571 /nfs/dbraw/zinc/03/75/71/1294037571.db2.gz RBQUSSYHSCUZDU-AWEZNQCLSA-N 2 0 342.478 2.392 10 10 EECERP Cc1cc(N(C)C)ccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000841086695 1315471491 /nfs/dbraw/zinc/47/14/91/1315471491.db2.gz DEOHQOOMHPTSNM-UHFFFAOYSA-N 2 0 330.520 2.367 10 10 EECERP CCOc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(O)c1 ZINC000841086674 1315471664 /nfs/dbraw/zinc/47/16/64/1315471664.db2.gz CFYXHCRUHSRZMH-UHFFFAOYSA-N 2 0 333.476 2.097 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000843046557 1315828442 /nfs/dbraw/zinc/82/84/42/1315828442.db2.gz ZKLCORPUILYFIC-CTNGQTDRSA-N 3 0 342.531 2.402 10 10 EECERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001279250600 1323857212 /nfs/dbraw/zinc/85/72/12/1323857212.db2.gz ZLUFGVGKQSUDON-DAWZGUTISA-N 2 0 347.503 2.423 10 10 EECERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567951957 1124201765 /nfs/dbraw/zinc/20/17/65/1124201765.db2.gz DKXCYIRVWWPEOK-IRXDYDNUSA-N 2 0 333.476 2.082 10 10 EECERP Cc1cc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)cc1C ZINC000903980296 1242843859 /nfs/dbraw/zinc/84/38/59/1242843859.db2.gz NXMFAJIGFWFJFJ-KDURUIRLSA-N 2 0 329.488 2.410 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)cc1C ZINC001331542114 1335033719 /nfs/dbraw/zinc/03/37/19/1335033719.db2.gz DADFWMJHJJIHEE-MRXNPFEDSA-N 2 0 347.503 2.282 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C=C[C@H]4C[C@@H]3CO4)cc2)CC1 ZINC000922720650 801749794 /nfs/dbraw/zinc/74/97/94/801749794.db2.gz IAPICPQCJXBBEZ-NSHGMRRFSA-N 2 0 327.472 2.119 10 10 EECERP COC(=O)CC1([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)CCCC1 ZINC000793231919 810199821 /nfs/dbraw/zinc/19/98/21/810199821.db2.gz SRBYZQKBIOJWJP-UHFFFAOYSA-N 2 0 345.487 2.404 10 10 EECERP c1n[nH]cc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768671305 577560620 /nfs/dbraw/zinc/56/06/20/577560620.db2.gz ZAHYQYMAOVLPFF-UHFFFAOYSA-N 2 0 325.460 2.232 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001491080857 1258647529 /nfs/dbraw/zinc/64/75/29/1258647529.db2.gz UOXHIFSFOUKPQW-CALCHBBNSA-N 2 0 333.476 2.081 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)cc1C ZINC001278666860 1317603456 /nfs/dbraw/zinc/60/34/56/1317603456.db2.gz HXKZMRNUUWGNMS-GOSISDBHSA-N 2 0 347.503 2.282 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)cc1C ZINC001676462181 1357153283 /nfs/dbraw/zinc/15/32/83/1357153283.db2.gz ZSSBOAFESPRTHL-INIZCTEOSA-N 2 0 345.487 2.036 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1C ZINC001698766343 1405050233 /nfs/dbraw/zinc/05/02/33/1405050233.db2.gz VNARHYIUMJMRBR-OAHLLOKOSA-N 2 0 347.503 2.187 10 10 EECERP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCC2 ZINC000925505145 1206120826 /nfs/dbraw/zinc/12/08/26/1206120826.db2.gz RBHPCRJXGYAWRD-ZWKOTPCHSA-N 2 0 333.451 2.146 10 10 EECERP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@@H]1CCCOC1 ZINC000773147789 577319081 /nfs/dbraw/zinc/31/90/81/577319081.db2.gz UQZUTXIFHADRFE-LJQANCHMSA-N 2 0 329.488 2.487 10 10 EECERP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(C)cc(OC)c2O)CC1 ZINC000794697760 1197831178 /nfs/dbraw/zinc/83/11/78/1197831178.db2.gz BQOQUCWDWXRYJS-UHFFFAOYSA-N 2 0 343.427 2.435 10 10 EECERP CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1F ZINC000903980074 1242840618 /nfs/dbraw/zinc/84/06/18/1242840618.db2.gz GBBICTIFHWZGJX-HDICACEKSA-N 2 0 346.494 2.292 10 10 EECERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001277987998 1305608751 /nfs/dbraw/zinc/60/87/51/1305608751.db2.gz MCHQGYQCZIAPKK-WBVHZDCISA-N 2 0 335.492 2.280 10 10 EECERP CC[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318524852 1332555541 /nfs/dbraw/zinc/55/55/41/1332555541.db2.gz QJKJEEMQFHIVFT-BPQIPLTHSA-N 2 0 347.503 2.328 10 10 EECERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C)cc2O)CC1 ZINC000854232934 1292681859 /nfs/dbraw/zinc/68/18/59/1292681859.db2.gz XYBJBSMDORVOAJ-OAHLLOKOSA-N 2 0 333.476 2.342 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001491556093 1303211316 /nfs/dbraw/zinc/21/13/16/1303211316.db2.gz VGGRYYLVZCCWIC-RDJZCZTQSA-N 2 0 333.476 2.082 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000843046560 1315828339 /nfs/dbraw/zinc/82/83/39/1315828339.db2.gz ZKLCORPUILYFIC-TZIWHRDSSA-N 3 0 342.531 2.402 10 10 EECERP Cc1ccc(C[N@@H+](CCO)Cc2ccc(N3CC[NH+](C)CC3)cc2)o1 ZINC000793366805 810286855 /nfs/dbraw/zinc/28/68/55/810286855.db2.gz UGCVXFRLTAGLPB-UHFFFAOYSA-N 2 0 343.471 2.334 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001495741622 1101510926 /nfs/dbraw/zinc/51/09/26/1101510926.db2.gz BZNGTXWUNMBBEC-HOTGVXAUSA-N 2 0 347.503 2.187 10 10 EECERP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001568851676 1124872009 /nfs/dbraw/zinc/87/20/09/1124872009.db2.gz IYHQWNSMAXDPLS-WXFDERKXSA-N 2 0 345.487 2.106 10 10 EECERP COc1cc(C)cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1O ZINC000754732676 577811727 /nfs/dbraw/zinc/81/17/27/577811727.db2.gz UHCKYYWOKJTESO-SFHVURJKSA-N 2 0 347.503 2.311 10 10 EECERP COC[C@@H](C)C[NH2+]CCCN1CCN(c2ccc(OC)cc2)CC1 ZINC000187625590 678721850 /nfs/dbraw/zinc/72/18/50/678721850.db2.gz JNLUQRDCFGBLFN-KRWDZBQOSA-N 2 0 335.492 2.079 10 10 EECERP COc1ccc(C[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001483061043 1188360995 /nfs/dbraw/zinc/36/09/95/1188360995.db2.gz RNGPSFFQAJBHDE-DWTRPJMMSA-N 2 0 345.487 2.107 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001277988802 1305611203 /nfs/dbraw/zinc/61/12/03/1305611203.db2.gz UBQIHVNKYVVRKW-FUHWJXTLSA-N 2 0 347.503 2.282 10 10 EECERP COc1ccc(C[NH2+]C[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001569680943 1342923085 /nfs/dbraw/zinc/92/30/85/1342923085.db2.gz ABTARVVFJBMBGN-FQEVSTJZSA-N 2 0 347.503 2.284 10 10 EECERP C[C@@H]1CC2(C[N@@H+]1Cc1ccc(N3CCOCC3)cc1)CC[NH2+]CC2 ZINC000818431413 785254295 /nfs/dbraw/zinc/25/42/95/785254295.db2.gz LPIVATPDYDTCGI-QGZVFWFLSA-N 2 0 329.488 2.487 10 10 EECERP CC[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567975444 1124213324 /nfs/dbraw/zinc/21/33/24/1124213324.db2.gz ODNUDMIVKRJDPQ-GOSISDBHSA-N 2 0 347.503 2.330 10 10 EECERP Cc1cc(O)c(C[NH2+]C2CCN(CC[NH+](C)C)CC2)c(Cl)c1 ZINC000840875296 679464562 /nfs/dbraw/zinc/46/45/62/679464562.db2.gz MONVQEXQDPMVTN-UHFFFAOYSA-N 2 0 325.884 2.470 10 10 EECERP COC(=O)CCCCC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000809727705 783312406 /nfs/dbraw/zinc/31/24/06/783312406.db2.gz SMYWWLXJALUZLW-UHFFFAOYSA-N 2 0 333.476 2.261 10 10 EECERP CC[NH+](CC)CC1CC[NH+](Cc2cc3c(cc2O)OC[C@@H]3O)CC1 ZINC000768447958 577555882 /nfs/dbraw/zinc/55/58/82/577555882.db2.gz RYWDEWMKKQTBSY-SFHVURJKSA-N 2 0 334.460 2.372 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H](CO)c3ccsc3)cc2)CC1 ZINC000769931696 577587338 /nfs/dbraw/zinc/58/73/38/577587338.db2.gz BJJHWSUJPATYTB-SFHVURJKSA-N 2 0 331.485 2.323 10 10 EECERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001482816171 1187749390 /nfs/dbraw/zinc/74/93/90/1187749390.db2.gz DLGMSYGCTDSPLT-WBVHZDCISA-N 2 0 333.476 2.082 10 10 EECERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(C)ccc2O)CC1 ZINC000854231308 1292681475 /nfs/dbraw/zinc/68/14/75/1292681475.db2.gz JFVVLKQUXITKBL-OAHLLOKOSA-N 2 0 333.476 2.342 10 10 EECERP COc1cc(Br)cc(C[NH2+]CCC2(C[NH3+])CC2)c1O ZINC000844902597 789443027 /nfs/dbraw/zinc/44/30/27/789443027.db2.gz SLUKKWVZEHGVEF-UHFFFAOYSA-N 2 0 329.238 2.382 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)cc1C ZINC001499843144 1112508469 /nfs/dbraw/zinc/50/84/69/1112508469.db2.gz FMLKICNZABUTBQ-FUHWJXTLSA-N 2 0 347.503 2.424 10 10 EECERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567984045 1124215685 /nfs/dbraw/zinc/21/56/85/1124215685.db2.gz FKKDRRPUINCLOJ-MSOLQXFVSA-N 2 0 347.503 2.330 10 10 EECERP Cc1ccc(O)c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000756860399 577851804 /nfs/dbraw/zinc/85/18/04/577851804.db2.gz WEYNTMUIKOOUKF-WBVHZDCISA-N 2 0 335.492 2.444 10 10 EECERP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CC[NH+](C)C)cc1C ZINC001270259381 1184966875 /nfs/dbraw/zinc/96/68/75/1184966875.db2.gz OLYLPUMFTCAESJ-QGZVFWFLSA-N 2 0 333.476 2.036 10 10 EECERP COc1cc(Br)cc(C[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903974158 1242811415 /nfs/dbraw/zinc/81/14/15/1242811415.db2.gz KLGSEWUXPOFRFO-GHMZBOCLSA-N 2 0 343.265 2.499 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCCC2)cc1C ZINC001281769956 1325444169 /nfs/dbraw/zinc/44/41/69/1325444169.db2.gz ANUVAMVLOFGUJB-INIZCTEOSA-N 2 0 333.476 2.084 10 10 EECERP CC[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318594638 1332565649 /nfs/dbraw/zinc/56/56/49/1332565649.db2.gz JEGOHBAMIMGDKJ-QGZVFWFLSA-N 2 0 345.487 2.084 10 10 EECERP C[C@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915921 785068963 /nfs/dbraw/zinc/06/89/63/785068963.db2.gz BIJWAKXZHUKSFG-UWJYYQICSA-N 2 0 342.531 2.306 10 10 EECERP Cc1cc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)ccc1N(C)C ZINC000923430221 789531463 /nfs/dbraw/zinc/53/14/63/789531463.db2.gz DCPXCGXFBWRNQU-BGYRXZFFSA-N 2 0 342.531 2.462 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001498614075 1107811721 /nfs/dbraw/zinc/81/17/21/1107811721.db2.gz VWXCMNOJJGOCJE-INIZCTEOSA-N 2 0 347.503 2.284 10 10 EECERP C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000775835052 577446864 /nfs/dbraw/zinc/44/68/64/577446864.db2.gz DLRIULUKRMGPLO-OAHLLOKOSA-N 2 0 344.503 2.146 10 10 EECERP C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000763343978 577719568 /nfs/dbraw/zinc/71/95/68/577719568.db2.gz ZNLSNKWNAQUULZ-OXJNMPFZSA-N 2 0 343.515 2.339 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C2CC2)cc1C ZINC001670454264 1176798313 /nfs/dbraw/zinc/79/83/13/1176798313.db2.gz AHMURZSVQVPPSQ-QZTJIDSGSA-N 2 0 345.487 2.082 10 10 EECERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001271013289 1185812017 /nfs/dbraw/zinc/81/20/17/1185812017.db2.gz NFKIGQFSOAFFCZ-NVXWUHKLSA-N 2 0 335.492 2.280 10 10 EECERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Br)cc1O ZINC000925810308 1206156413 /nfs/dbraw/zinc/15/64/13/1206156413.db2.gz DVXPORXNXORHQE-LLVKDONJSA-N 2 0 342.281 2.228 10 10 EECERP COc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841064033 1315466297 /nfs/dbraw/zinc/46/62/97/1315466297.db2.gz OIFXLTLHIAQEOI-BXKDBHETSA-N 2 0 329.238 2.251 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000843124006 1315848449 /nfs/dbraw/zinc/84/84/49/1315848449.db2.gz SYWOZIVCHFOXCU-HXUWFJFHSA-N 3 0 328.504 2.014 10 10 EECERP Cn1cncc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000125501721 1199316382 /nfs/dbraw/zinc/31/63/82/1199316382.db2.gz QKIQPAASQPRLFX-UHFFFAOYSA-N 2 0 339.487 2.242 10 10 EECERP COc1ccc(O)c([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000817984422 785133524 /nfs/dbraw/zinc/13/35/24/785133524.db2.gz YBSULZBLVXESGH-FHERZECASA-N 2 0 333.476 2.268 10 10 EECERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267379789 1178927901 /nfs/dbraw/zinc/92/79/01/1178927901.db2.gz LOGCNEHKDBOCEV-SFHVURJKSA-N 2 0 347.503 2.426 10 10 EECERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2c1c(F)ccc2O ZINC000925854931 1206161513 /nfs/dbraw/zinc/16/15/13/1206161513.db2.gz KHPRGIRUMFLPQM-DYEKYZERSA-N 2 0 348.418 2.355 10 10 EECERP COc1cccc(O)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000850344408 1277188576 /nfs/dbraw/zinc/18/85/76/1277188576.db2.gz HLLVXCUSCOQXFK-UHFFFAOYSA-N 2 0 334.460 2.381 10 10 EECERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000844904438 789444178 /nfs/dbraw/zinc/44/41/78/789444178.db2.gz MATXLKZUJMGQFH-UHFFFAOYSA-N 3 0 338.499 2.448 10 10 EECERP CCOc1ccc(O)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000121145553 463087649 /nfs/dbraw/zinc/08/76/49/463087649.db2.gz XJSUSLWKIIDCHF-HNNXBMFYSA-N 2 0 336.476 2.316 10 10 EECERP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000775680376 577442577 /nfs/dbraw/zinc/44/25/77/577442577.db2.gz BOONSGGKJCMYMH-FQEVSTJZSA-N 2 0 328.504 2.107 10 10 EECERP C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(N(C)C)cc1 ZINC000775835050 577446876 /nfs/dbraw/zinc/44/68/76/577446876.db2.gz DLRIULUKRMGPLO-HNNXBMFYSA-N 2 0 344.503 2.146 10 10 EECERP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2c1c(F)ccc2O ZINC000925854934 1206161367 /nfs/dbraw/zinc/16/13/67/1206161367.db2.gz KHPRGIRUMFLPQM-MBNYWOFBSA-N 2 0 348.418 2.355 10 10 EECERP CCOc1ccc(O)c(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1 ZINC000903979980 1242841547 /nfs/dbraw/zinc/84/15/47/1242841547.db2.gz AVJDGVQYDIURDC-HDICACEKSA-N 2 0 345.487 2.192 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001491556095 1303210883 /nfs/dbraw/zinc/21/08/83/1303210883.db2.gz VGGRYYLVZCCWIC-WBVHZDCISA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(CC[NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)cn1 ZINC001331675855 1335056359 /nfs/dbraw/zinc/05/63/59/1335056359.db2.gz LYSNVPYRAWWODL-UHFFFAOYSA-N 2 0 340.471 2.174 10 10 EECERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001571490953 1343219266 /nfs/dbraw/zinc/21/92/66/1343219266.db2.gz LDUZYNAOYLVMLZ-WMZOPIPTSA-N 2 0 347.503 2.424 10 10 EECERP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1)[NH+](C)C ZINC001502017708 1113560799 /nfs/dbraw/zinc/56/07/99/1113560799.db2.gz SAILHYNXUYISGB-KRWDZBQOSA-N 2 0 347.503 2.472 10 10 EECERP CCOc1ccc(O)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000121145369 463087224 /nfs/dbraw/zinc/08/72/24/463087224.db2.gz XJSUSLWKIIDCHF-OAHLLOKOSA-N 2 0 336.476 2.316 10 10 EECERP COc1ccc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000377713883 467124257 /nfs/dbraw/zinc/12/42/57/467124257.db2.gz BVTWANGIQFUAPL-JWTNVVGKSA-N 2 0 345.487 2.144 10 10 EECERP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+]Cc1cncnc1 ZINC000125497942 1199315467 /nfs/dbraw/zinc/31/54/67/1199315467.db2.gz RUDJGFYFJWHAFP-UHFFFAOYSA-N 2 0 337.471 2.298 10 10 EECERP Fc1cc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1N1CCOCC1 ZINC000903921892 1242511547 /nfs/dbraw/zinc/51/15/47/1242511547.db2.gz SFQLPICRQKLQHF-ALOPSCKCSA-N 2 0 333.451 2.283 10 10 EECERP CC1CC[NH+](CC(=O)NC[C@@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC001647081219 1353130954 /nfs/dbraw/zinc/13/09/54/1353130954.db2.gz IZPJERUUIAPZCM-IBGZPJMESA-N 2 0 346.519 2.203 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@]34C[C@H]3COC43CCC3)cc2)CC1 ZINC000923031122 788613224 /nfs/dbraw/zinc/61/32/24/788613224.db2.gz NLFZQSWALGESLZ-FXAWDEMLSA-N 2 0 327.472 2.240 10 10 EECERP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775717899 577443623 /nfs/dbraw/zinc/44/36/23/577443623.db2.gz UGWHBBMBZTUQDE-YLJYHZDGSA-N 2 0 330.520 2.353 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000895845769 684746549 /nfs/dbraw/zinc/74/65/49/684746549.db2.gz IUCUMRLSZBJXCH-UYAOXDASSA-N 2 0 329.488 2.439 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000903959904 1242732568 /nfs/dbraw/zinc/73/25/68/1242732568.db2.gz RNWDSIQJNZOSHG-OAQYLSRUSA-N 3 0 342.531 2.404 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](C4CCC4)C3)cc2)CC1 ZINC000840953832 1315444875 /nfs/dbraw/zinc/44/48/75/1315444875.db2.gz BDFPBGDZFACGQT-FQEVSTJZSA-N 2 0 329.488 2.439 10 10 EECERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001317121121 1332087196 /nfs/dbraw/zinc/08/71/96/1332087196.db2.gz GFBLHEWZKIBJRX-CALCHBBNSA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1C ZINC001317263737 1332157696 /nfs/dbraw/zinc/15/76/96/1332157696.db2.gz DHXDNNJQXBICBO-MAUKXSAKSA-N 2 0 335.492 2.184 10 10 EECERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022914 1342681409 /nfs/dbraw/zinc/68/14/09/1342681409.db2.gz WDHAQCBPGZVBDB-FUHWJXTLSA-N 2 0 347.503 2.472 10 10 EECERP CC1CC[NH+](CC(=O)NC[C@H](c2ccc(N(C)C)cc2)[NH+](C)C)CC1 ZINC001647081220 1353131237 /nfs/dbraw/zinc/13/12/37/1353131237.db2.gz IZPJERUUIAPZCM-LJQANCHMSA-N 2 0 346.519 2.203 10 10 EECERP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1CC[NH+](C)CC1 ZINC001497448127 1102505409 /nfs/dbraw/zinc/50/54/09/1102505409.db2.gz UYMBLMWITUERNU-UHFFFAOYSA-N 2 0 347.503 2.284 10 10 EECERP Cc1cc(Cl)cc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1O ZINC000186595503 464029675 /nfs/dbraw/zinc/02/96/75/464029675.db2.gz XQBBGGWXXRZRKR-AWEZNQCLSA-N 2 0 325.884 2.470 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1C ZINC001271428783 1186214238 /nfs/dbraw/zinc/21/42/38/1186214238.db2.gz XUCLEJMKCSZURM-SJLPKXTDSA-N 2 0 347.503 2.282 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@](C)(C4CC4)C3)cc2)CC1 ZINC000826877785 1248106165 /nfs/dbraw/zinc/10/61/65/1248106165.db2.gz MFAHQHXXTVNWMM-FQEVSTJZSA-N 2 0 329.488 2.439 10 10 EECERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000863543243 1296328034 /nfs/dbraw/zinc/32/80/34/1296328034.db2.gz METBPNOLLFQJLY-CQSZACIVSA-N 2 0 341.883 2.063 10 10 EECERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc(Br)cc(C)c1O ZINC000863543885 1296328477 /nfs/dbraw/zinc/32/84/77/1296328477.db2.gz FPGZWJXXURSMIT-NSHDSACASA-N 2 0 331.254 2.350 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001321563828 1333125438 /nfs/dbraw/zinc/12/54/38/1333125438.db2.gz NZKWQGFUQINDKW-WBVHZDCISA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@H]2C)cc1C ZINC001331915820 1335673142 /nfs/dbraw/zinc/67/31/42/1335673142.db2.gz DAJIBUDYMMOTJT-FUHWJXTLSA-N 2 0 347.503 2.424 10 10 EECERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022915 1342681700 /nfs/dbraw/zinc/68/17/00/1342681700.db2.gz WDHAQCBPGZVBDB-SJLPKXTDSA-N 2 0 347.503 2.472 10 10 EECERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(N(C)C)cc1)C(=O)NCC[NH+](C)C ZINC000777287260 577476072 /nfs/dbraw/zinc/47/60/72/577476072.db2.gz JZXJRJQXCYLOKU-APWZRJJASA-N 2 0 348.535 2.496 10 10 EECERP Cc1cc(O)c(C[NH2+]CCN2CCC([NH+](C)C)CC2)c(Cl)c1 ZINC000840903282 684620334 /nfs/dbraw/zinc/62/03/34/684620334.db2.gz ZTJKZXBGEUZTHX-UHFFFAOYSA-N 2 0 325.884 2.470 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001662219695 1354764551 /nfs/dbraw/zinc/76/45/51/1354764551.db2.gz NAFDPSWRSYDPTB-FUHWJXTLSA-N 2 0 347.503 2.471 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001662219696 1354764652 /nfs/dbraw/zinc/76/46/52/1354764652.db2.gz NAFDPSWRSYDPTB-SJLPKXTDSA-N 2 0 347.503 2.471 10 10 EECERP O[C@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200620 785459581 /nfs/dbraw/zinc/45/95/81/785459581.db2.gz RVHIXQNWHNCRBN-HXUWFJFHSA-N 2 0 329.488 2.079 10 10 EECERP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)cc1C ZINC001499843146 1112508659 /nfs/dbraw/zinc/50/86/59/1112508659.db2.gz FMLKICNZABUTBQ-WMZOPIPTSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1C ZINC001568997600 1125029684 /nfs/dbraw/zinc/02/96/84/1125029684.db2.gz GYIZKMGYXYPAFE-AEFFLSMTSA-N 2 0 347.503 2.472 10 10 EECERP CCOC(=O)C1=CC[C@@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862488124 1295857119 /nfs/dbraw/zinc/85/71/19/1295857119.db2.gz BQSHLMWMRBWTEB-GOSISDBHSA-N 2 0 343.471 2.180 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001277988804 1305610582 /nfs/dbraw/zinc/61/05/82/1305610582.db2.gz UBQIHVNKYVVRKW-WMZOPIPTSA-N 2 0 347.503 2.282 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001492110562 1330479321 /nfs/dbraw/zinc/47/93/21/1330479321.db2.gz KEKXGVOCZICIHP-SJLPKXTDSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001331456625 1335016859 /nfs/dbraw/zinc/01/68/59/1335016859.db2.gz VHFSGSXRVKBDDL-LZLYRXPVSA-N 2 0 347.503 2.280 10 10 EECERP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(N(C)C)cc2)CC1 ZINC000793369684 810290113 /nfs/dbraw/zinc/29/01/13/810290113.db2.gz KAICJVSCKGWKBI-UHFFFAOYSA-N 2 0 326.444 2.478 10 10 EECERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC001265777282 1323375904 /nfs/dbraw/zinc/37/59/04/1323375904.db2.gz JXRZZTQCAYEXAY-RYQLBKOJSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)cc1C ZINC001331915823 1335673318 /nfs/dbraw/zinc/67/33/18/1335673318.db2.gz DAJIBUDYMMOTJT-SJLPKXTDSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001676017639 1357088804 /nfs/dbraw/zinc/08/88/04/1357088804.db2.gz AADDXKLYACQALB-SJLPKXTDSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)C[NH+]2CCCC2)cc1C ZINC001699550581 1405386105 /nfs/dbraw/zinc/38/61/05/1405386105.db2.gz JCUIVUKAYKZDPM-UHFFFAOYSA-N 2 0 333.476 2.038 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C)[C@H]3C)cc2F)CC1 ZINC000924995469 682343625 /nfs/dbraw/zinc/34/36/25/682343625.db2.gz GKGARQNPXRVJLB-RVKKMQEKSA-N 2 0 335.467 2.481 10 10 EECERP Cc1cc(O)c(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000840894903 683187344 /nfs/dbraw/zinc/18/73/44/683187344.db2.gz XVEVYRWJEPCIAI-AWEZNQCLSA-N 2 0 325.884 2.327 10 10 EECERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001268414882 1182571690 /nfs/dbraw/zinc/57/16/90/1182571690.db2.gz NADLROWONUVVPD-INIZCTEOSA-N 2 0 345.487 2.084 10 10 EECERP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc[nH]c(=O)c1 ZINC000926854224 1296942245 /nfs/dbraw/zinc/94/22/45/1296942245.db2.gz MNQZNARJZZAHHR-OAHLLOKOSA-N 2 0 326.444 2.390 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc1C ZINC001317263736 1332157866 /nfs/dbraw/zinc/15/78/66/1332157866.db2.gz DHXDNNJQXBICBO-CRAIPNDOSA-N 2 0 335.492 2.184 10 10 EECERP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001330883220 1334920660 /nfs/dbraw/zinc/92/06/60/1334920660.db2.gz NGFOGBHZZOWUGQ-SJLPKXTDSA-N 2 0 347.503 2.472 10 10 EECERP Oc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)[C@@H](O)CO2 ZINC000768447440 577555859 /nfs/dbraw/zinc/55/58/59/577555859.db2.gz OXCQMAIZTRRAET-SFHVURJKSA-N 2 0 332.444 2.126 10 10 EECERP C[NH+]1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000843129107 1315849768 /nfs/dbraw/zinc/84/97/68/1315849768.db2.gz REMGJTQYYNNLAT-LJQANCHMSA-N 2 0 328.504 2.203 10 10 EECERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001279316103 1323871731 /nfs/dbraw/zinc/87/17/31/1323871731.db2.gz XRWANNHORNUVNW-UHFFFAOYSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001282186267 1325645587 /nfs/dbraw/zinc/64/55/87/1325645587.db2.gz SWXWVQIMZGQPLS-CVEARBPZSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001668196438 1355896333 /nfs/dbraw/zinc/89/63/33/1355896333.db2.gz GYPZGNXFIYCUJW-INIZCTEOSA-N 2 0 347.503 2.330 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH+]3CCC(C4(O)CC4)CC3)cc2)CC1 ZINC000846006457 790020654 /nfs/dbraw/zinc/02/06/54/790020654.db2.gz AANFNZBMZJRHDP-UHFFFAOYSA-N 2 0 329.488 2.175 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CN(C)C[C@H]3C)cc2F)CC1 ZINC000756117885 577838721 /nfs/dbraw/zinc/83/87/21/577838721.db2.gz BGAGEBWUEUVPNY-QAPCUYQASA-N 2 0 334.483 2.007 10 10 EECERP COc1ccc(N2CCN(CCC[NH2+][C@H](C)C(C)(C)CO)CC2)cc1 ZINC000924578869 681974541 /nfs/dbraw/zinc/97/45/41/681974541.db2.gz CYDLWCZKPCDBJK-QGZVFWFLSA-N 2 0 349.519 2.204 10 10 EECERP Cc1ccnc(N)c1C[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1 ZINC000895608487 684661781 /nfs/dbraw/zinc/66/17/81/684661781.db2.gz OKHRJTLQSKCYFD-UHFFFAOYSA-N 2 0 325.460 2.014 10 10 EECERP COc1ccc(C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)cc1C ZINC001481905635 1182920444 /nfs/dbraw/zinc/92/04/44/1182920444.db2.gz PFNGHPSANCGWGJ-UHFFFAOYSA-N 2 0 347.503 2.474 10 10 EECERP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1O ZINC000854231607 1292681414 /nfs/dbraw/zinc/68/14/14/1292681414.db2.gz MNFZFLMUZXVHCI-KRWDZBQOSA-N 2 0 333.476 2.424 10 10 EECERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001304769319 1331395328 /nfs/dbraw/zinc/39/53/28/1331395328.db2.gz VATLLSUTKSGTDT-MAUKXSAKSA-N 2 0 334.508 2.059 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001328352169 1334448717 /nfs/dbraw/zinc/44/87/17/1334448717.db2.gz OYSARFQFMIVVJM-INIZCTEOSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001668196439 1355896088 /nfs/dbraw/zinc/89/60/88/1355896088.db2.gz GYPZGNXFIYCUJW-MRXNPFEDSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001571392715 1343202576 /nfs/dbraw/zinc/20/25/76/1343202576.db2.gz CGSBPBQBHBRWGH-FUHWJXTLSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001662263628 1354771029 /nfs/dbraw/zinc/77/10/29/1354771029.db2.gz VGGRYYLVZCCWIC-DOTOQJQBSA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001669630563 1356186670 /nfs/dbraw/zinc/18/66/70/1356186670.db2.gz RJBZZNFIHZWQHO-INIZCTEOSA-N 2 0 347.503 2.472 10 10 EECERP C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817917802 785068802 /nfs/dbraw/zinc/06/88/02/785068802.db2.gz SQTBKQJBYXZYHP-DYESRHJHSA-N 2 0 342.531 2.449 10 10 EECERP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001565867289 1125444493 /nfs/dbraw/zinc/44/44/93/1125444493.db2.gz NNQALCJVBQBIFO-KZNAEPCWSA-N 2 0 347.503 2.328 10 10 EECERP COc1c([O-])c(C[NH+]2CCC(c3ncc[nH]3)CC2)ccc1[N+](=O)[O-] ZINC000278294548 463960964 /nfs/dbraw/zinc/96/09/64/463960964.db2.gz VHHBTPYVVWWGDN-UHFFFAOYSA-N 2 0 332.360 2.412 10 10 EECERP Cn1nccc1C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000125505512 1199318065 /nfs/dbraw/zinc/31/80/65/1199318065.db2.gz LSFMUSNSUXQZQE-UHFFFAOYSA-N 2 0 339.487 2.242 10 10 EECERP CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872489 1242257065 /nfs/dbraw/zinc/25/70/65/1242257065.db2.gz FLUKEUSAGQSWII-SFHVURJKSA-N 2 0 343.519 2.434 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001669595662 1356180362 /nfs/dbraw/zinc/18/03/62/1356180362.db2.gz NZKWQGFUQINDKW-DOTOQJQBSA-N 2 0 333.476 2.082 10 10 EECERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917079 785068750 /nfs/dbraw/zinc/06/87/50/785068750.db2.gz MXQBOECOOSLTBE-SJORKVTESA-N 3 0 330.520 2.434 10 10 EECERP CC(C)C[C@H]([NH2+][C@H](C)c1cc(F)ccc1O)C(=O)NCC[NH+](C)C ZINC000756858367 577851633 /nfs/dbraw/zinc/85/16/33/577851633.db2.gz OJFGRZYYYVNDEZ-CJNGLKHVSA-N 2 0 339.455 2.274 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001268717109 1183637364 /nfs/dbraw/zinc/63/73/64/1183637364.db2.gz QIRDHSDIJWJENH-KRWDZBQOSA-N 2 0 347.503 2.474 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001331562231 1335037083 /nfs/dbraw/zinc/03/70/83/1335037083.db2.gz XIAOUYXPSHDOIT-WBVHZDCISA-N 2 0 347.503 2.282 10 10 EECERP CSC[C@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819200336 785459464 /nfs/dbraw/zinc/45/94/64/785459464.db2.gz NVEGOUOPTKLOAJ-LJQANCHMSA-N 2 0 349.544 2.032 10 10 EECERP CC(=O)c1cc(F)cc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1O ZINC000923456050 789572616 /nfs/dbraw/zinc/57/26/16/789572616.db2.gz OCGKRFKMJHRDHS-OAHLLOKOSA-N 2 0 336.407 2.064 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001498614077 1107813326 /nfs/dbraw/zinc/81/33/26/1107813326.db2.gz VWXCMNOJJGOCJE-MRXNPFEDSA-N 2 0 347.503 2.284 10 10 EECERP CN(C)c1ccc([C@H](CNC(=O)C2([NH+](C)C)CCCC2)[NH+](C)C)cc1 ZINC001456928847 1109370330 /nfs/dbraw/zinc/37/03/30/1109370330.db2.gz DKNIAXKBBXXVQQ-SFHVURJKSA-N 2 0 346.519 2.346 10 10 EECERP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1O ZINC000854231608 1292681089 /nfs/dbraw/zinc/68/10/89/1292681089.db2.gz MNFZFLMUZXVHCI-QGZVFWFLSA-N 2 0 333.476 2.424 10 10 EECERP CN(C)c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1F ZINC000841088011 1315471433 /nfs/dbraw/zinc/47/14/33/1315471433.db2.gz UVEPFPHKNNUPSF-UHFFFAOYSA-N 2 0 334.483 2.198 10 10 EECERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001321864929 1333170294 /nfs/dbraw/zinc/17/02/94/1333170294.db2.gz BDGAKMBSIAFZMU-WMZOPIPTSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001331562228 1335037066 /nfs/dbraw/zinc/03/70/66/1335037066.db2.gz XIAOUYXPSHDOIT-RDJZCZTQSA-N 2 0 347.503 2.282 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001567230526 1342713300 /nfs/dbraw/zinc/71/33/00/1342713300.db2.gz KFJBUFHPBVHXJN-WBVHZDCISA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001674755214 1356889864 /nfs/dbraw/zinc/88/98/64/1356889864.db2.gz RKCSFLSLEVTVQZ-HOTGVXAUSA-N 2 0 345.487 2.082 10 10 EECERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917137 785068378 /nfs/dbraw/zinc/06/83/78/785068378.db2.gz NVKSUDKMWASTKK-TZIWHRDSSA-N 3 0 342.531 2.436 10 10 EECERP CN(C)c1ccc([C@@H](CNC(=O)C2([NH+](C)C)CCCC2)[NH+](C)C)cc1 ZINC001456928846 1109370134 /nfs/dbraw/zinc/37/01/34/1109370134.db2.gz DKNIAXKBBXXVQQ-GOSISDBHSA-N 2 0 346.519 2.346 10 10 EECERP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)C1 ZINC000738211885 578003963 /nfs/dbraw/zinc/00/39/63/578003963.db2.gz GJRYNIISLNSVSA-IBGZPJMESA-N 2 0 329.488 2.093 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001266725888 1177311296 /nfs/dbraw/zinc/31/12/96/1177311296.db2.gz YEZIYGYITQJTMF-ZIFCJYIRSA-N 2 0 347.503 2.327 10 10 EECERP COc1ccc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)c(OC)c1 ZINC000903938081 1242589579 /nfs/dbraw/zinc/58/95/79/1242589579.db2.gz ZBLLOWPBHXZSTD-ALOPSCKCSA-N 2 0 345.487 2.356 10 10 EECERP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CCC[NH+](C)C)[C@@H]2C)cc1C ZINC001331915818 1335673149 /nfs/dbraw/zinc/67/31/49/1335673149.db2.gz DAJIBUDYMMOTJT-AEFFLSMTSA-N 2 0 347.503 2.424 10 10 EECERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001333142771 1335970386 /nfs/dbraw/zinc/97/03/86/1335970386.db2.gz ZLUFGVGKQSUDON-ABHNRTSZSA-N 2 0 347.503 2.423 10 10 EECERP CC(=O)c1cc(F)cc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1O ZINC000923456045 789572552 /nfs/dbraw/zinc/57/25/52/789572552.db2.gz OCGKRFKMJHRDHS-HNNXBMFYSA-N 2 0 336.407 2.064 10 10 EECERP CCOc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c(O)c1 ZINC000530249845 467968495 /nfs/dbraw/zinc/96/84/95/467968495.db2.gz ZCPVAVHKSBJFOM-GOSISDBHSA-N 2 0 334.460 2.381 10 10 EECERP C[C@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925676475 684811955 /nfs/dbraw/zinc/81/19/55/684811955.db2.gz KBEQEJCNQBQSEJ-JXFKEZNVSA-N 2 0 329.488 2.343 10 10 EECERP COc1cc(Br)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841064035 693008804 /nfs/dbraw/zinc/00/88/04/693008804.db2.gz OIFXLTLHIAQEOI-JOYOIKCWSA-N 2 0 329.238 2.251 10 10 EECERP COc1ccc(C[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001483061044 1188361146 /nfs/dbraw/zinc/36/11/46/1188361146.db2.gz RNGPSFFQAJBHDE-YIEVGGLXSA-N 2 0 345.487 2.107 10 10 EECERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)C1 ZINC000850357412 1277196215 /nfs/dbraw/zinc/19/62/15/1277196215.db2.gz IWIVJFPEYLEUAD-HXUWFJFHSA-N 2 0 338.451 2.478 10 10 EECERP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854218616 1292675123 /nfs/dbraw/zinc/67/51/23/1292675123.db2.gz ZGWZVQRHUVGSHU-KCUHQSDYSA-N 2 0 345.487 2.021 10 10 EECERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022913 1342681469 /nfs/dbraw/zinc/68/14/69/1342681469.db2.gz WDHAQCBPGZVBDB-AEFFLSMTSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001268414898 1182570856 /nfs/dbraw/zinc/57/08/56/1182570856.db2.gz NADLROWONUVVPD-MRXNPFEDSA-N 2 0 345.487 2.084 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)cc1C ZINC001271090992 1185877432 /nfs/dbraw/zinc/87/74/32/1185877432.db2.gz DAMDEHUMTALORK-MRXNPFEDSA-N 2 0 347.503 2.282 10 10 EECERP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001271531693 1186288109 /nfs/dbraw/zinc/28/81/09/1186288109.db2.gz OQMLLUOWQOJLAM-SJLPKXTDSA-N 2 0 347.503 2.282 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)cc1C ZINC001486122628 1193688192 /nfs/dbraw/zinc/68/81/92/1193688192.db2.gz SRYAZQXODLUSBA-RDJZCZTQSA-N 2 0 333.476 2.034 10 10 EECERP COc1ccc(C[NH2+]C[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1C ZINC001662675056 1354824010 /nfs/dbraw/zinc/82/40/10/1354824010.db2.gz FFEKSKMGXUBHJX-GOSISDBHSA-N 2 0 347.503 2.284 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001480174391 1099754941 /nfs/dbraw/zinc/75/49/41/1099754941.db2.gz UOXHIFSFOUKPQW-QAQDUYKDSA-N 2 0 333.476 2.081 10 10 EECERP CCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1O ZINC000729474690 576656349 /nfs/dbraw/zinc/65/63/49/576656349.db2.gz JPPXIWPRKUMRNK-UHFFFAOYSA-N 2 0 345.487 2.347 10 10 EECERP COc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)cc1C ZINC001268227121 1182043144 /nfs/dbraw/zinc/04/31/44/1182043144.db2.gz QBIQAHAHZCVOKZ-ROUUACIJSA-N 2 0 347.503 2.186 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)cc1C ZINC001507089331 1115102290 /nfs/dbraw/zinc/10/22/90/1115102290.db2.gz MJIFOVNDYLHDDL-INIZCTEOSA-N 2 0 347.503 2.424 10 10 EECERP Cc1cc(O)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000840949444 1315444028 /nfs/dbraw/zinc/44/40/28/1315444028.db2.gz XNQZZFIBGWEAQH-UHFFFAOYSA-N 2 0 325.884 2.423 10 10 EECERP Cc1cc(O)c(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Cl)c1 ZINC000841100098 1315475996 /nfs/dbraw/zinc/47/59/96/1315475996.db2.gz UOZNXUCZRUYEEM-ZDUSSCGKSA-N 2 0 335.839 2.241 10 10 EECERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001265503151 1323186222 /nfs/dbraw/zinc/18/62/22/1323186222.db2.gz KXSJFBIRYPMEOP-ULQDDVLXSA-N 2 0 333.476 2.081 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)cc1C ZINC001317652440 1332350255 /nfs/dbraw/zinc/35/02/55/1332350255.db2.gz MPAPBIJITLBXBY-GOSISDBHSA-N 2 0 335.492 2.138 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1C ZINC001698766341 1405050315 /nfs/dbraw/zinc/05/03/15/1405050315.db2.gz VNARHYIUMJMRBR-HNNXBMFYSA-N 2 0 347.503 2.187 10 10 EECERP CCOc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c(O)c1 ZINC000903980501 1242847238 /nfs/dbraw/zinc/84/72/38/1242847238.db2.gz SYOAKBUBEWUFKP-HDICACEKSA-N 2 0 345.487 2.192 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1C ZINC001567023984 1342682520 /nfs/dbraw/zinc/68/25/20/1342682520.db2.gz DHXDNNJQXBICBO-QAPCUYQASA-N 2 0 335.492 2.184 10 10 EECERP COc1ccc(C[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C(C)C)cc1C ZINC001667519613 1355753740 /nfs/dbraw/zinc/75/37/40/1355753740.db2.gz JUERKFGZJCACJG-GOSISDBHSA-N 2 0 347.503 2.330 10 10 EECERP COC1CC([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)C1 ZINC000769538494 577580167 /nfs/dbraw/zinc/58/01/67/577580167.db2.gz OUJKZRDDAFNJTM-UHFFFAOYSA-N 2 0 329.488 2.486 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1C ZINC001271428779 1186214545 /nfs/dbraw/zinc/21/45/45/1186214545.db2.gz XUCLEJMKCSZURM-FUHWJXTLSA-N 2 0 347.503 2.282 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@H](C(F)F)CC3)cc2)CC1 ZINC000872256878 1198115687 /nfs/dbraw/zinc/11/56/87/1198115687.db2.gz DREGJKVXLPELQB-KRWDZBQOSA-N 2 0 339.430 2.294 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001274815885 1205171540 /nfs/dbraw/zinc/17/15/40/1205171540.db2.gz QWDKOGVNWGZQJX-INIZCTEOSA-N 2 0 345.487 2.084 10 10 EECERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC(O)CC2)c(F)c1 ZINC000924760096 1206028122 /nfs/dbraw/zinc/02/81/22/1206028122.db2.gz OEXIUXQGQKQLMH-NYTJIUQPSA-N 2 0 347.478 2.217 10 10 EECERP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CO1 ZINC000842694661 1315755878 /nfs/dbraw/zinc/75/58/78/1315755878.db2.gz UTVLTMURYQHTLI-QFBILLFUSA-N 2 0 329.488 2.486 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)cc1C ZINC001669321092 1356145032 /nfs/dbraw/zinc/14/50/32/1356145032.db2.gz XMQTYGTWPWPWGK-FVQBIDKESA-N 2 0 342.443 2.125 10 10 EECERP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775717896 577443597 /nfs/dbraw/zinc/44/35/97/577443597.db2.gz UGWHBBMBZTUQDE-FXAWDEMLSA-N 2 0 330.520 2.353 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)CC[C@H]3O)cc2)CC1 ZINC000865699938 1198336940 /nfs/dbraw/zinc/33/69/40/1198336940.db2.gz NLJPUUYNTXQRDR-RTBURBONSA-N 2 0 331.504 2.468 10 10 EECERP [NH3+][C@H]1CCC[C@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917539 785068516 /nfs/dbraw/zinc/06/85/16/785068516.db2.gz RIGUKLZPOWWTLQ-VQTJNVASSA-N 2 0 328.504 2.188 10 10 EECERP Oc1cc(Br)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000825119386 788445223 /nfs/dbraw/zinc/44/52/23/788445223.db2.gz AOIRRWUJHALRGV-UHFFFAOYSA-N 2 0 343.265 2.357 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@H]4COCC[C@@H]43)cc2)CC1 ZINC000775736023 577444237 /nfs/dbraw/zinc/44/42/37/577444237.db2.gz JJDSNXLMQFJXLD-QUCCMNQESA-N 2 0 329.488 2.439 10 10 EECERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669174 577560593 /nfs/dbraw/zinc/56/05/93/577560593.db2.gz DYEWMWOCIRTBPX-UTKZUKDTSA-N 2 0 342.531 2.258 10 10 EECERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCC(CO)CC2)cc1 ZINC000924760590 1206028210 /nfs/dbraw/zinc/02/82/10/1206028210.db2.gz QDRXNZWRWWYRCH-PMSBKCLSSA-N 2 0 343.515 2.325 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001277988800 1305610164 /nfs/dbraw/zinc/61/01/64/1305610164.db2.gz UBQIHVNKYVVRKW-AEFFLSMTSA-N 2 0 347.503 2.282 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@H]4CCC[C@@H](C3)C4O)cc2)CC1 ZINC001319813629 1332774209 /nfs/dbraw/zinc/77/42/09/1332774209.db2.gz FWCMZLWOSKNCBV-UFRUDQCGSA-N 2 0 329.488 2.031 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC001669648443 1356189427 /nfs/dbraw/zinc/18/94/27/1356189427.db2.gz CFRUMVITQPXEEP-BQFCYCMXSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+]C[C@@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1C ZINC001672305772 1356498451 /nfs/dbraw/zinc/49/84/51/1356498451.db2.gz LYQWSOLIKHOLRX-FUHWJXTLSA-N 2 0 347.503 2.139 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C(F)F)CC3)cc2)CC1 ZINC000872256879 1198114825 /nfs/dbraw/zinc/11/48/25/1198114825.db2.gz DREGJKVXLPELQB-QGZVFWFLSA-N 2 0 339.430 2.294 10 10 EECERP COc1ccc(C[NH2+]C2CC(N(C)C(=O)CCC[NH+](C)C)C2)cc1C ZINC001284788115 1326714122 /nfs/dbraw/zinc/71/41/22/1326714122.db2.gz VIBALLYTMARSLT-UHFFFAOYSA-N 2 0 347.503 2.424 10 10 EECERP CN1CCN(c2ccc(C[NH+]3CCC(C4(O)CC4)CC3)cc2F)CC1 ZINC001326785539 1334159268 /nfs/dbraw/zinc/15/92/68/1334159268.db2.gz BLQQLQXLWOWQQU-UHFFFAOYSA-N 2 0 347.478 2.314 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001662219694 1354764795 /nfs/dbraw/zinc/76/47/95/1354764795.db2.gz NAFDPSWRSYDPTB-AEFFLSMTSA-N 2 0 347.503 2.471 10 10 EECERP [NH3+][C@@H]1CCC[C@@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917537 785069087 /nfs/dbraw/zinc/06/90/87/785069087.db2.gz RIGUKLZPOWWTLQ-UXHICEINSA-N 2 0 328.504 2.188 10 10 EECERP COc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001266569931 1176863769 /nfs/dbraw/zinc/86/37/69/1176863769.db2.gz RFAIOFMOIJZYLN-KRWDZBQOSA-N 2 0 333.476 2.034 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cc2)CC1 ZINC000872253036 1198112148 /nfs/dbraw/zinc/11/21/48/1198112148.db2.gz ZBVRZJSQUAASAR-GOSISDBHSA-N 3 0 330.520 2.306 10 10 EECERP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCC2 ZINC000925505138 1206120744 /nfs/dbraw/zinc/12/07/44/1206120744.db2.gz RBHPCRJXGYAWRD-MSOLQXFVSA-N 2 0 333.451 2.146 10 10 EECERP CC1(C)[NH2+]CC[C@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925632233 1206137623 /nfs/dbraw/zinc/13/76/23/1206137623.db2.gz VRRPZDOCGQGUQN-HXUWFJFHSA-N 2 0 342.531 2.449 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000903959903 1242732852 /nfs/dbraw/zinc/73/28/52/1242732852.db2.gz RNWDSIQJNZOSHG-NRFANRHFSA-N 3 0 342.531 2.404 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)cc1C ZINC001277846342 1304866298 /nfs/dbraw/zinc/86/62/98/1304866298.db2.gz RWXQIYGSJVRAOY-MRXNPFEDSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)C3([NH+](C)C)CCC3)CC2)cc1C ZINC001499249904 1112200434 /nfs/dbraw/zinc/20/04/34/1112200434.db2.gz WGNIHHPDAOCPSV-UHFFFAOYSA-N 2 0 345.487 2.226 10 10 EECERP CC(C)[N@@H+]1CCc2c(c3ccccc3n2CC(=O)NCC[NH+](C)C)C1 ZINC000436459979 467536982 /nfs/dbraw/zinc/53/69/82/467536982.db2.gz MLDSWQUHDBOGQW-UHFFFAOYSA-N 2 0 342.487 2.086 10 10 EECERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267379787 1178928084 /nfs/dbraw/zinc/92/80/84/1178928084.db2.gz LOGCNEHKDBOCEV-GOSISDBHSA-N 2 0 347.503 2.426 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)cc2)CC1 ZINC000925762786 1206151572 /nfs/dbraw/zinc/15/15/72/1206151572.db2.gz ODJDOOJVSJKNOG-HSALFYBXSA-N 3 0 342.531 2.305 10 10 EECERP Cc1cc(N(C)C)ccc1C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000840936564 1315440259 /nfs/dbraw/zinc/44/02/59/1315440259.db2.gz LJVORXKVGIMNEV-IBGZPJMESA-N 2 0 348.535 2.243 10 10 EECERP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045763 1315827977 /nfs/dbraw/zinc/82/79/77/1315827977.db2.gz VUJVSUZWXBIBCY-UYAOXDASSA-N 2 0 329.488 2.487 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@]4(CCSC4)C3)cc2)CC1 ZINC000843417562 1315911468 /nfs/dbraw/zinc/91/14/68/1315911468.db2.gz IKTBNGRQLGAACW-IBGZPJMESA-N 2 0 347.528 2.146 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001691758024 1357584634 /nfs/dbraw/zinc/58/46/34/1357584634.db2.gz PYVFNJKTWVVTLI-HDICACEKSA-N 2 0 347.503 2.328 10 10 EECERP [NH3+][C@H]1CCC[C@@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917536 785068926 /nfs/dbraw/zinc/06/89/26/785068926.db2.gz RIGUKLZPOWWTLQ-PMACEKPBSA-N 2 0 328.504 2.188 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925763705 1206151724 /nfs/dbraw/zinc/15/17/24/1206151724.db2.gz SYNZXKGWTKNJJD-ZWKOTPCHSA-N 3 0 330.520 2.434 10 10 EECERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCO4)cc2)C1 ZINC000850357411 1277196026 /nfs/dbraw/zinc/19/60/26/1277196026.db2.gz IWIVJFPEYLEUAD-FQEVSTJZSA-N 2 0 338.451 2.478 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+]CC(O)(C3CC3)C3CC3)cc2)CC1 ZINC000850385729 1277209154 /nfs/dbraw/zinc/20/91/54/1277209154.db2.gz AMGAKQIFBBXCQE-UHFFFAOYSA-N 2 0 329.488 2.079 10 10 EECERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)ccc2O)CC1 ZINC000854231307 1292681010 /nfs/dbraw/zinc/68/10/10/1292681010.db2.gz JFVVLKQUXITKBL-HNNXBMFYSA-N 2 0 333.476 2.342 10 10 EECERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1O ZINC000925859748 1206162373 /nfs/dbraw/zinc/16/23/73/1206162373.db2.gz XZZFAEYAJZHNIP-AAEUAGOBSA-N 2 0 338.835 2.382 10 10 EECERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001265942160 1323504949 /nfs/dbraw/zinc/50/49/49/1323504949.db2.gz XAUJYOIUKPQLET-SFHVURJKSA-N 2 0 347.503 2.426 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)cc1C ZINC001663992981 1355069794 /nfs/dbraw/zinc/06/97/94/1355069794.db2.gz QPIQZEYOUMZCJF-GOSISDBHSA-N 2 0 347.503 2.426 10 10 EECERP Cc1cc(O)c(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c(Cl)c1 ZINC000840894904 683187402 /nfs/dbraw/zinc/18/74/02/683187402.db2.gz XVEVYRWJEPCIAI-CQSZACIVSA-N 2 0 325.884 2.327 10 10 EECERP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1C ZINC001271428775 1186214215 /nfs/dbraw/zinc/21/42/15/1186214215.db2.gz XUCLEJMKCSZURM-AEFFLSMTSA-N 2 0 347.503 2.282 10 10 EECERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)ccc1O ZINC000925809832 1206156325 /nfs/dbraw/zinc/15/63/25/1206156325.db2.gz AMLZBEVLDARIAM-LLVKDONJSA-N 2 0 342.281 2.228 10 10 EECERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000925855909 1206161780 /nfs/dbraw/zinc/16/17/80/1206161780.db2.gz VOTWIEMNQXSOBH-ROUUACIJSA-N 2 0 345.487 2.479 10 10 EECERP Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(O)c1C ZINC000925857612 1206162167 /nfs/dbraw/zinc/16/21/67/1206162167.db2.gz PVOGITDQZJSHMC-HUUCEWRRSA-N 2 0 332.444 2.345 10 10 EECERP CCOc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C2CC[NH2+]CC2)c1O ZINC000903980041 1242840867 /nfs/dbraw/zinc/84/08/67/1242840867.db2.gz DRLHTODNNYBGHP-HDICACEKSA-N 2 0 345.487 2.192 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC001483745433 1190897917 /nfs/dbraw/zinc/89/79/17/1190897917.db2.gz DIMAXFWDUGBRQI-QGZVFWFLSA-N 2 0 345.487 2.226 10 10 EECERP COc1cc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c(O)cc1C ZINC000794698745 1197834455 /nfs/dbraw/zinc/83/44/55/1197834455.db2.gz JACQGNIAQAKDHL-UHFFFAOYSA-N 2 0 343.427 2.435 10 10 EECERP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C12CCC2 ZINC000925500354 1206119968 /nfs/dbraw/zinc/11/99/68/1206119968.db2.gz DNTLNEAYWJUQNW-OALUTQOASA-N 2 0 329.488 2.255 10 10 EECERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C)cc1O ZINC000925848435 1206160235 /nfs/dbraw/zinc/16/02/35/1206160235.db2.gz APFIEKQOLBAEIP-HOCLYGCPSA-N 2 0 332.444 2.427 10 10 EECERP CCC[N@@H+](Cc1ccccc1O)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903889635 1242344316 /nfs/dbraw/zinc/34/43/16/1242344316.db2.gz UQWXQWQNEOGCJE-MRXNPFEDSA-N 2 0 330.476 2.464 10 10 EECERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001277987991 1305608896 /nfs/dbraw/zinc/60/88/96/1305608896.db2.gz MCHQGYQCZIAPKK-DOTOQJQBSA-N 2 0 335.492 2.280 10 10 EECERP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045591 1315828474 /nfs/dbraw/zinc/82/84/74/1315828474.db2.gz VUJVSUZWXBIBCY-ICSRJNTNSA-N 2 0 329.488 2.487 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001321875082 1333171898 /nfs/dbraw/zinc/17/18/98/1333171898.db2.gz DKMGXOFGSOBEIK-HNNXBMFYSA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001266614536 1176991816 /nfs/dbraw/zinc/99/18/16/1176991816.db2.gz ILFNHARHVYCNEC-QAQDUYKDSA-N 2 0 345.487 2.082 10 10 EECERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000925850480 1206160371 /nfs/dbraw/zinc/16/03/71/1206160371.db2.gz BEVWKFQSINJQOU-RHSMWYFYSA-N 2 0 331.460 2.089 10 10 EECERP CCCN(CCC)c1ccc(C[N@H+](C)CC(=O)N2CC[NH2+]CC2)cc1 ZINC000843047092 1315828881 /nfs/dbraw/zinc/82/88/81/1315828881.db2.gz NWQQXOGMKASSCU-UHFFFAOYSA-N 2 0 346.519 2.177 10 10 EECERP COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001676017640 1357089202 /nfs/dbraw/zinc/08/92/02/1357089202.db2.gz AADDXKLYACQALB-WMZOPIPTSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001507111713 1115114226 /nfs/dbraw/zinc/11/42/26/1115114226.db2.gz CGSBPBQBHBRWGH-WMZOPIPTSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CC[NH+](C)C)C2)cc1C ZINC001486122626 1193688239 /nfs/dbraw/zinc/68/82/39/1193688239.db2.gz SRYAZQXODLUSBA-DOTOQJQBSA-N 2 0 333.476 2.034 10 10 EECERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC001669293034 1356141714 /nfs/dbraw/zinc/14/17/14/1356141714.db2.gz INFJGMJJCASJPZ-BPQIPLTHSA-N 2 0 347.503 2.328 10 10 EECERP CC[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567975446 1124212426 /nfs/dbraw/zinc/21/24/26/1124212426.db2.gz ODNUDMIVKRJDPQ-SFHVURJKSA-N 2 0 347.503 2.330 10 10 EECERP CC1(C)[NH2+]CC[C@@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925632227 1206137867 /nfs/dbraw/zinc/13/78/67/1206137867.db2.gz VRRPZDOCGQGUQN-FQEVSTJZSA-N 2 0 342.531 2.449 10 10 EECERP c1cc(C[NH2+]Cc2ccc(N3CCOCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC000850070079 1277017632 /nfs/dbraw/zinc/01/76/32/1277017632.db2.gz SCFYGPBDGYSDLD-UHFFFAOYSA-N 2 0 349.438 2.394 10 10 EECERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(OC)ccc2O)CC1 ZINC000854231311 1292681548 /nfs/dbraw/zinc/68/15/48/1292681548.db2.gz JHJOSOXFSMKWIN-AWEZNQCLSA-N 2 0 349.475 2.042 10 10 EECERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CO1 ZINC000842694664 1315755662 /nfs/dbraw/zinc/75/56/62/1315755662.db2.gz UTVLTMURYQHTLI-VQIMIIECSA-N 2 0 329.488 2.486 10 10 EECERP Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1O ZINC000843122326 1315848702 /nfs/dbraw/zinc/84/87/02/1315848702.db2.gz QQUXSPVCODXJAL-HNNXBMFYSA-N 2 0 339.867 2.174 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)C3(C[NH+](C)C)CC3)CC2)cc1C ZINC001323525509 1333482832 /nfs/dbraw/zinc/48/28/32/1333482832.db2.gz OUODSQRESIUKMW-UHFFFAOYSA-N 2 0 345.487 2.084 10 10 EECERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495035927 1104676358 /nfs/dbraw/zinc/67/63/58/1104676358.db2.gz DKXCYIRVWWPEOK-DLBZAZTESA-N 2 0 333.476 2.082 10 10 EECERP Cc1ccc(O)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000377717188 467124957 /nfs/dbraw/zinc/12/49/57/467124957.db2.gz NJWUNQRYBRKMGV-DFNIBXOVSA-N 2 0 329.488 2.443 10 10 EECERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001267968378 1180871466 /nfs/dbraw/zinc/87/14/66/1180871466.db2.gz SDJPVWQOTFCJCU-GOSISDBHSA-N 2 0 347.503 2.426 10 10 EECERP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C12CCC2 ZINC000925500356 1206120171 /nfs/dbraw/zinc/12/01/71/1206120171.db2.gz DNTLNEAYWJUQNW-RTBURBONSA-N 2 0 329.488 2.255 10 10 EECERP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099878 1315474817 /nfs/dbraw/zinc/47/48/17/1315474817.db2.gz PWMOVWZPRUFRMB-HNNXBMFYSA-N 2 0 335.839 2.241 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001283668361 1326192293 /nfs/dbraw/zinc/19/22/93/1326192293.db2.gz ZZWGSGRMVDUDKQ-MRXNPFEDSA-N 2 0 347.503 2.282 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1C ZINC001321684641 1333143198 /nfs/dbraw/zinc/14/31/98/1333143198.db2.gz NEFUFJRRBYGIEI-QGZVFWFLSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1C ZINC001267473567 1179104716 /nfs/dbraw/zinc/10/47/16/1179104716.db2.gz KQRRXPYJFLHVAU-IAGOWNOFSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001482816167 1187749523 /nfs/dbraw/zinc/74/95/23/1187749523.db2.gz DLGMSYGCTDSPLT-RDJZCZTQSA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(C[NH2+]C/C=C/CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001483061041 1188360942 /nfs/dbraw/zinc/36/09/42/1188360942.db2.gz RNGPSFFQAJBHDE-APHBUQMISA-N 2 0 345.487 2.107 10 10 EECERP Oc1cccc(Br)c1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000858099484 1294005871 /nfs/dbraw/zinc/00/58/71/1294005871.db2.gz OTQVKSFNYQHUQP-UHFFFAOYSA-N 2 0 343.265 2.357 10 10 EECERP Cc1cc(Cl)cc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1O ZINC000843122328 1315848566 /nfs/dbraw/zinc/84/85/66/1315848566.db2.gz QQUXSPVCODXJAL-OAHLLOKOSA-N 2 0 339.867 2.174 10 10 EECERP CCc1cccc(C[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1O ZINC000848899735 1338799011 /nfs/dbraw/zinc/79/90/11/1338799011.db2.gz JLDXKXTZSRRUPL-KRWDZBQOSA-N 2 0 335.492 2.137 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001480596447 1100444770 /nfs/dbraw/zinc/44/47/70/1100444770.db2.gz JRBFWCDLNSGDIR-KRWDZBQOSA-N 2 0 347.503 2.474 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1C ZINC001483145635 1188774528 /nfs/dbraw/zinc/77/45/28/1188774528.db2.gz UKRCQEYMXRGIFZ-MRXNPFEDSA-N 2 0 345.487 2.226 10 10 EECERP CCC[N@H+](Cc1cnnn1[C@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903889959 1242344500 /nfs/dbraw/zinc/34/45/00/1242344500.db2.gz WQMBAUVCAASKHN-INIZCTEOSA-N 2 0 329.448 2.320 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C2)cc1C ZINC001491047406 1258606580 /nfs/dbraw/zinc/60/65/80/1258606580.db2.gz ILFNHARHVYCNEC-CALCHBBNSA-N 2 0 345.487 2.082 10 10 EECERP Cc1cc(O)c(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(Cl)c1 ZINC000840942480 1315442400 /nfs/dbraw/zinc/44/24/00/1315442400.db2.gz UEQHOYNTFQBCFN-UHFFFAOYSA-N 2 0 325.884 2.470 10 10 EECERP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000841088242 1315472405 /nfs/dbraw/zinc/47/24/05/1315472405.db2.gz TYMOTOAZBMJXEQ-ICSRJNTNSA-N 2 0 329.488 2.487 10 10 EECERP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000843045590 1315828293 /nfs/dbraw/zinc/82/82/93/1315828293.db2.gz VUJVSUZWXBIBCY-AZUAARDMSA-N 2 0 329.488 2.487 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001569188051 1125153568 /nfs/dbraw/zinc/15/35/68/1125153568.db2.gz BNOSHTGYMDTEIA-KRWDZBQOSA-N 2 0 333.476 2.036 10 10 EECERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(N2CCOCC2)cc1Cl ZINC000863543242 1296326851 /nfs/dbraw/zinc/32/68/51/1296326851.db2.gz METBPNOLLFQJLY-AWEZNQCLSA-N 2 0 341.883 2.063 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1C ZINC001266725887 1177311529 /nfs/dbraw/zinc/31/15/29/1177311529.db2.gz YEZIYGYITQJTMF-SCTDSRPQSA-N 2 0 347.503 2.327 10 10 EECERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000925855907 1206161643 /nfs/dbraw/zinc/16/16/43/1206161643.db2.gz VOTWIEMNQXSOBH-QZTJIDSGSA-N 2 0 345.487 2.479 10 10 EECERP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)c1cc[nH]c(=O)c1 ZINC000926854223 1296942175 /nfs/dbraw/zinc/94/21/75/1296942175.db2.gz MNQZNARJZZAHHR-HNNXBMFYSA-N 2 0 326.444 2.390 10 10 EECERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001319534011 1332716990 /nfs/dbraw/zinc/71/69/90/1332716990.db2.gz NFKIGQFSOAFFCZ-WBVHZDCISA-N 2 0 335.492 2.280 10 10 EECERP CN1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cc2F)CC1 ZINC001329702860 1334699808 /nfs/dbraw/zinc/69/98/08/1334699808.db2.gz SSLMSGDWMUVQQB-KRWDZBQOSA-N 3 0 348.510 2.445 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)cc1C ZINC001699651199 1405430222 /nfs/dbraw/zinc/43/02/22/1405430222.db2.gz MSKZAWDUPWGFMK-NVXWUHKLSA-N 2 0 345.487 2.082 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)CC1 ZINC000843118239 1315847446 /nfs/dbraw/zinc/84/74/46/1315847446.db2.gz DZTCCTVSWGOCRK-HXUWFJFHSA-N 3 0 328.504 2.014 10 10 EECERP COc1ccc(C[NH2+]C2CC(N(C)C(=O)C[N@H+](C)C(C)C)C2)cc1C ZINC001279328732 1323876147 /nfs/dbraw/zinc/87/61/47/1323876147.db2.gz KUIQAVSWMHXJKC-UHFFFAOYSA-N 2 0 347.503 2.423 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1C ZINC001491887281 1330289945 /nfs/dbraw/zinc/28/99/45/1330289945.db2.gz WDGVTUHAIMHXPS-QZTJIDSGSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001662219697 1354764906 /nfs/dbraw/zinc/76/49/06/1354764906.db2.gz NAFDPSWRSYDPTB-WMZOPIPTSA-N 2 0 347.503 2.471 10 10 EECERP Cc1cc(C)c([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(O)c1 ZINC000925850725 1206160626 /nfs/dbraw/zinc/16/06/26/1206160626.db2.gz POINZNZMGUEVHD-CABCVRRESA-N 2 0 332.444 2.345 10 10 EECERP Cc1c(C[C@H](C[NH3+])C[N@@H+](C)Cc2ccc(N(C)C)cc2)cnn1C ZINC000903872741 1242258789 /nfs/dbraw/zinc/25/87/89/1242258789.db2.gz BELSMBQOSZSPIC-QGZVFWFLSA-N 2 0 329.492 2.044 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001570631352 1343094569 /nfs/dbraw/zinc/09/45/69/1343094569.db2.gz UGZMLFAABWULKG-HOTGVXAUSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001668888282 1356036649 /nfs/dbraw/zinc/03/66/49/1356036649.db2.gz WBZFTTKUXASEJE-XFHJGTJQSA-N 2 0 345.487 2.250 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001495741625 1101510850 /nfs/dbraw/zinc/51/08/50/1101510850.db2.gz BZNGTXWUNMBBEC-JKSUJKDBSA-N 2 0 347.503 2.187 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]4COCC[C@H]43)cc2)CC1 ZINC000775736021 577444248 /nfs/dbraw/zinc/44/42/48/577444248.db2.gz JJDSNXLMQFJXLD-AZUAARDMSA-N 2 0 329.488 2.439 10 10 EECERP COc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1C ZINC001670454266 1176798334 /nfs/dbraw/zinc/79/83/34/1176798334.db2.gz AHMURZSVQVPPSQ-ROUUACIJSA-N 2 0 345.487 2.082 10 10 EECERP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1C ZINC001271428787 1186214225 /nfs/dbraw/zinc/21/42/25/1186214225.db2.gz XUCLEJMKCSZURM-WMZOPIPTSA-N 2 0 347.503 2.282 10 10 EECERP COc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001483082068 1188443238 /nfs/dbraw/zinc/44/32/38/1188443238.db2.gz JXINUNCBGMDMGC-SHCNBLLESA-N 2 0 345.487 2.107 10 10 EECERP CC1(C)[C@H]([NH2+]Cc2ccc(N3CCOCC3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925501968 1206120455 /nfs/dbraw/zinc/12/04/55/1206120455.db2.gz JVSIUDGLCMKRKF-CEXWTWQISA-N 2 0 329.488 2.389 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH+]3CC(C4CCOCC4)C3)cc2)CC1 ZINC000800530825 1234268944 /nfs/dbraw/zinc/26/89/44/1234268944.db2.gz VPZUUKYFRLZADC-UHFFFAOYSA-N 2 0 329.488 2.297 10 10 EECERP COc1ccc(O)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000826814001 1248081663 /nfs/dbraw/zinc/08/16/63/1248081663.db2.gz BAUCVNSCZMHMGU-UHFFFAOYSA-N 2 0 334.460 2.381 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001282186270 1325645772 /nfs/dbraw/zinc/64/57/72/1325645772.db2.gz SWXWVQIMZGQPLS-JKSUJKDBSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001273019446 1194326711 /nfs/dbraw/zinc/32/67/11/1194326711.db2.gz WHDCIHHUKRXCJE-RDJZCZTQSA-N 2 0 347.503 2.330 10 10 EECERP COc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1O ZINC000850357758 1277197904 /nfs/dbraw/zinc/19/79/04/1277197904.db2.gz UNEZGGLBBXQQDD-SFHVURJKSA-N 2 0 342.439 2.257 10 10 EECERP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000841088241 1315472338 /nfs/dbraw/zinc/47/23/38/1315472338.db2.gz TYMOTOAZBMJXEQ-AZUAARDMSA-N 2 0 329.488 2.487 10 10 EECERP COc1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc1C ZINC001491887282 1330289915 /nfs/dbraw/zinc/28/99/15/1330289915.db2.gz WDGVTUHAIMHXPS-ROUUACIJSA-N 2 0 347.503 2.472 10 10 EECERP CC[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318524863 1332555733 /nfs/dbraw/zinc/55/57/33/1332555733.db2.gz QJKJEEMQFHIVFT-KBAYOESNSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1C ZINC001480596450 1100444709 /nfs/dbraw/zinc/44/47/09/1100444709.db2.gz JRBFWCDLNSGDIR-QGZVFWFLSA-N 2 0 347.503 2.474 10 10 EECERP CC[C@H](C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001505505338 1114027489 /nfs/dbraw/zinc/02/74/89/1114027489.db2.gz DIANKKIKIYFUCA-DAWZGUTISA-N 2 0 347.503 2.328 10 10 EECERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001691463493 1178886019 /nfs/dbraw/zinc/88/60/19/1178886019.db2.gz NNQALCJVBQBIFO-KSZLIROESA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CC[N@H+](C)C2)C(C)C)cc1C ZINC001268227122 1182042444 /nfs/dbraw/zinc/04/24/44/1182042444.db2.gz QBIQAHAHZCVOKZ-ZWKOTPCHSA-N 2 0 347.503 2.186 10 10 EECERP CCC[N@@H+](Cc1ccccc1O)C[C@H](C[NH3+])Cc1cnn(C)c1C ZINC000903889634 1242344649 /nfs/dbraw/zinc/34/46/49/1242344649.db2.gz UQWXQWQNEOGCJE-INIZCTEOSA-N 2 0 330.476 2.464 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@](O)(C4CC4)C3)cc2)CC1 ZINC000827153095 1250273192 /nfs/dbraw/zinc/27/31/92/1250273192.db2.gz YITQYRZYTJQJCR-HXUWFJFHSA-N 2 0 329.488 2.175 10 10 EECERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC001317588886 1332311740 /nfs/dbraw/zinc/31/17/40/1332311740.db2.gz LSBQFSFMBDYAAK-ZWKOTPCHSA-N 2 0 347.503 2.282 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cc[nH]c(=O)c3)cc2F)CC1 ZINC000921705912 795550988 /nfs/dbraw/zinc/55/09/88/795550988.db2.gz ZTCBXUNUOZUCHI-UHFFFAOYSA-N 2 0 344.434 2.358 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[NH+]2CCCC2)cc1C ZINC001568319209 1124418368 /nfs/dbraw/zinc/41/83/68/1124418368.db2.gz KYSNVDUQBUMIKG-INIZCTEOSA-N 2 0 333.476 2.036 10 10 EECERP Cc1c(C[C@@H](C[NH3+])C[N@@H+](C)Cc2ccc(N(C)C)cc2)cnn1C ZINC000903872740 1242257882 /nfs/dbraw/zinc/25/78/82/1242257882.db2.gz BELSMBQOSZSPIC-KRWDZBQOSA-N 2 0 329.492 2.044 10 10 EECERP CCOc1ccc(O)c(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000841086712 1315471548 /nfs/dbraw/zinc/47/15/48/1315471548.db2.gz DYEYOPRQKRYWJP-UHFFFAOYSA-N 2 0 333.476 2.097 10 10 EECERP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841100576 1315475606 /nfs/dbraw/zinc/47/56/06/1315475606.db2.gz ZNJGELVCUANUKO-SIEMBAAWSA-N 2 0 340.475 2.153 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@]4(CCSC4)C3)cc2)CC1 ZINC000843417563 1315911309 /nfs/dbraw/zinc/91/13/09/1315911309.db2.gz IKTBNGRQLGAACW-LJQANCHMSA-N 2 0 347.528 2.146 10 10 EECERP COc1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1C ZINC001662675057 1354824164 /nfs/dbraw/zinc/82/41/64/1354824164.db2.gz FFEKSKMGXUBHJX-SFHVURJKSA-N 2 0 347.503 2.284 10 10 EECERP COc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)CCC[NH+](C)C)cc1C ZINC001666449907 1355528319 /nfs/dbraw/zinc/52/83/19/1355528319.db2.gz QAMFGPHJGVJKIP-GOSISDBHSA-N 2 0 347.503 2.426 10 10 EECERP OCC[NH+]1CCC(C[NH2+]Cc2ccc(N3CCCCC3)cc2)CC1 ZINC000069368782 215390422 /nfs/dbraw/zinc/39/04/22/215390422.db2.gz AUCCPSYPBPTUNQ-UHFFFAOYSA-N 2 0 331.504 2.471 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CN(C(=O)CCC[NH+](C)C)C[C@H]2C)cc1C ZINC001691118752 1177610823 /nfs/dbraw/zinc/61/08/23/1177610823.db2.gz RWMRYKLTWYBWGX-SJLPKXTDSA-N 2 0 347.503 2.282 10 10 EECERP Oc1ccc(Br)cc1C[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000903955278 1242700412 /nfs/dbraw/zinc/70/04/12/1242700412.db2.gz OJCUUEMDYMAQNB-JTQLQIEISA-N 2 0 335.192 2.489 10 10 EECERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(N(C)C)cc1)C(=O)NCC[NH+](C)C ZINC000777287262 577476133 /nfs/dbraw/zinc/47/61/33/577476133.db2.gz JZXJRJQXCYLOKU-LPHOPBHVSA-N 2 0 348.535 2.496 10 10 EECERP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000903960051 1242733672 /nfs/dbraw/zinc/73/36/72/1242733672.db2.gz VWQKOTJKELTEJP-HXUWFJFHSA-N 2 0 329.488 2.489 10 10 EECERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840877187 1315425475 /nfs/dbraw/zinc/42/54/75/1315425475.db2.gz YODIGMZOVLHHKN-AWEZNQCLSA-N 2 0 325.884 2.470 10 10 EECERP COc1cccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)c1O ZINC000793370143 810290059 /nfs/dbraw/zinc/29/00/59/810290059.db2.gz OEYSMNFOBPOGBM-UHFFFAOYSA-N 2 0 329.400 2.127 10 10 EECERP CC[C@@H](C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CC1)[NH+](C)C ZINC001499351522 1112245857 /nfs/dbraw/zinc/24/58/57/1112245857.db2.gz KKMHAEBDQFLZAG-INIZCTEOSA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)cc1C ZINC001568997601 1125029250 /nfs/dbraw/zinc/02/92/50/1125029250.db2.gz GYIZKMGYXYPAFE-SJLPKXTDSA-N 2 0 347.503 2.472 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@H]4CCCO4)C3)cc2)CC1 ZINC000895845766 684746478 /nfs/dbraw/zinc/74/64/78/684746478.db2.gz IUCUMRLSZBJXCH-AZUAARDMSA-N 2 0 329.488 2.439 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2CCC(C)CC2)cc1C ZINC001266911819 1177784578 /nfs/dbraw/zinc/78/45/78/1177784578.db2.gz WGHQAHMQYOVCQB-UHFFFAOYSA-N 2 0 347.503 2.284 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)CC1 ZINC000903088581 1239701498 /nfs/dbraw/zinc/70/14/98/1239701498.db2.gz LOAQTQWWLLPPTC-ALGQRKQJSA-N 2 0 341.499 2.342 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@](O)(C4CC4)C3)cc2)CC1 ZINC000827153090 1250271051 /nfs/dbraw/zinc/27/10/51/1250271051.db2.gz YITQYRZYTJQJCR-FQEVSTJZSA-N 2 0 329.488 2.175 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001265782881 1323378709 /nfs/dbraw/zinc/37/87/09/1323378709.db2.gz CYFKMUJXPMHHBA-OAHLLOKOSA-N 2 0 333.476 2.082 10 10 EECERP C[C@@H]1CC[NH2+]C[C@@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915919 785069171 /nfs/dbraw/zinc/06/91/71/785069171.db2.gz BIJWAKXZHUKSFG-UTKZUKDTSA-N 2 0 342.531 2.306 10 10 EECERP CO[C@@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000786830192 806895059 /nfs/dbraw/zinc/89/50/59/806895059.db2.gz GPTOFVTXQLTTAY-INIZCTEOSA-N 2 0 345.409 2.495 10 10 EECERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000854232970 1292681326 /nfs/dbraw/zinc/68/13/26/1292681326.db2.gz YMFWNHUHQYNLBY-INIZCTEOSA-N 2 0 346.519 2.394 10 10 EECERP CCOc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1O ZINC000841087096 1315471707 /nfs/dbraw/zinc/47/17/07/1315471707.db2.gz JDVGMFHEYXKZBT-UHFFFAOYSA-N 2 0 333.476 2.097 10 10 EECERP Cc1cc(Cl)cc(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1O ZINC000841099879 1315475034 /nfs/dbraw/zinc/47/50/34/1315475034.db2.gz PWMOVWZPRUFRMB-OAHLLOKOSA-N 2 0 335.839 2.241 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)cc2)CC1 ZINC000925762784 1206151533 /nfs/dbraw/zinc/15/15/33/1206151533.db2.gz ODJDOOJVSJKNOG-AABGKKOBSA-N 3 0 342.531 2.305 10 10 EECERP Cc1cc(O)c(C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(Cl)c1 ZINC000841100097 1315475583 /nfs/dbraw/zinc/47/55/83/1315475583.db2.gz UOZNXUCZRUYEEM-CYBMUJFWSA-N 2 0 335.839 2.241 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001492110561 1330479574 /nfs/dbraw/zinc/47/95/74/1330479574.db2.gz KEKXGVOCZICIHP-AEFFLSMTSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)cc1C ZINC001317082914 1332072741 /nfs/dbraw/zinc/07/27/41/1332072741.db2.gz VSJZQHGJDISMKS-QAQDUYKDSA-N 2 0 345.487 2.225 10 10 EECERP Oc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)[C@H](O)CO2 ZINC000768447434 577555957 /nfs/dbraw/zinc/55/59/57/577555957.db2.gz OXCQMAIZTRRAET-GOSISDBHSA-N 2 0 332.444 2.126 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)cc1C ZINC001485960699 1193659889 /nfs/dbraw/zinc/65/98/89/1193659889.db2.gz KMAXZHLMYDULOQ-INIZCTEOSA-N 2 0 335.492 2.280 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001485001423 1191608233 /nfs/dbraw/zinc/60/82/33/1191608233.db2.gz KEKXGVOCZICIHP-WMZOPIPTSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001273019443 1194326657 /nfs/dbraw/zinc/32/66/57/1194326657.db2.gz WHDCIHHUKRXCJE-DOTOQJQBSA-N 2 0 347.503 2.330 10 10 EECERP C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@H]1CCC[NH2+]1 ZINC000817917804 785068387 /nfs/dbraw/zinc/06/83/87/785068387.db2.gz SQTBKQJBYXZYHP-LAUBAEHRSA-N 2 0 342.531 2.449 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1C ZINC001497927568 1103351804 /nfs/dbraw/zinc/35/18/04/1103351804.db2.gz XBHJHCRASMMISI-MRXNPFEDSA-N 2 0 347.503 2.330 10 10 EECERP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(OC)c(C)c2)CCC1)[NH+](C)C ZINC001502017709 1113560729 /nfs/dbraw/zinc/56/07/29/1113560729.db2.gz SAILHYNXUYISGB-QGZVFWFLSA-N 2 0 347.503 2.472 10 10 EECERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001271013288 1185811941 /nfs/dbraw/zinc/81/19/41/1185811941.db2.gz NFKIGQFSOAFFCZ-DOTOQJQBSA-N 2 0 335.492 2.280 10 10 EECERP COc1ccc(C[NH2+]C/C=C\CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001483061042 1188361354 /nfs/dbraw/zinc/36/13/54/1188361354.db2.gz RNGPSFFQAJBHDE-AWFCHZOYSA-N 2 0 345.487 2.107 10 10 EECERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000925850481 1206160447 /nfs/dbraw/zinc/16/04/47/1206160447.db2.gz BEVWKFQSINJQOU-WMLDXEAASA-N 2 0 331.460 2.089 10 10 EECERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(F)ccc2O)CC1 ZINC000854232301 1292682071 /nfs/dbraw/zinc/68/20/71/1292682071.db2.gz RZKIBPUFTSKIJL-CYBMUJFWSA-N 2 0 337.439 2.173 10 10 EECERP C[C@@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817917805 785068144 /nfs/dbraw/zinc/06/81/44/785068144.db2.gz SQTBKQJBYXZYHP-UTKZUKDTSA-N 2 0 342.531 2.449 10 10 EECERP O[C@@H](C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)C1CC1 ZINC000819200619 785459440 /nfs/dbraw/zinc/45/94/40/785459440.db2.gz RVHIXQNWHNCRBN-FQEVSTJZSA-N 2 0 329.488 2.079 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)cc1C ZINC001499843145 1112508750 /nfs/dbraw/zinc/50/87/50/1112508750.db2.gz FMLKICNZABUTBQ-SJLPKXTDSA-N 2 0 347.503 2.424 10 10 EECERP c1cc(N2CC[NH+](CC3CC3)CC2)ccc1C[NH2+][C@H]1CCCOC1 ZINC000773147787 577319112 /nfs/dbraw/zinc/31/91/12/577319112.db2.gz UQZUTXIFHADRFE-IBGZPJMESA-N 2 0 329.488 2.487 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925763701 1206151840 /nfs/dbraw/zinc/15/18/40/1206151840.db2.gz SYNZXKGWTKNJJD-ROUUACIJSA-N 3 0 330.520 2.434 10 10 EECERP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925856135 1206161852 /nfs/dbraw/zinc/16/18/52/1206161852.db2.gz WNLATYNAYINLCF-CRAIPNDOSA-N 2 0 345.487 2.479 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@](C)(C4CC4)C3)cc2)CC1 ZINC000826877787 1248105739 /nfs/dbraw/zinc/10/57/39/1248105739.db2.gz MFAHQHXXTVNWMM-HXUWFJFHSA-N 2 0 329.488 2.439 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)cc1C ZINC001568277897 1124400353 /nfs/dbraw/zinc/40/03/53/1124400353.db2.gz ISQUNLUCIPCQLQ-MRXNPFEDSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)cc1C ZINC001691249275 1177764685 /nfs/dbraw/zinc/76/46/85/1177764685.db2.gz LECLHETUCOHXAI-ZWKOTPCHSA-N 2 0 347.503 2.330 10 10 EECERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269412836 1184248058 /nfs/dbraw/zinc/24/80/58/1184248058.db2.gz MHGXAHXGMDDSEC-KRWDZBQOSA-N 2 0 347.503 2.472 10 10 EECERP CN(C)c1ccc(/C=C\C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125478 1315849244 /nfs/dbraw/zinc/84/92/44/1315849244.db2.gz XJNSBLXIDAUGMT-JXCVUKRWSA-N 2 0 329.488 2.453 10 10 EECERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669173 577560543 /nfs/dbraw/zinc/56/05/43/577560543.db2.gz DYEWMWOCIRTBPX-LAUBAEHRSA-N 2 0 342.531 2.258 10 10 EECERP C[NH+]1CCN(c2ccc(CN3CCC(C)([NH+]4CCC4)CC3)cc2)CC1 ZINC000895671565 684681923 /nfs/dbraw/zinc/68/19/23/684681923.db2.gz QVIHAUJQVLRSKR-UHFFFAOYSA-N 2 0 342.531 2.499 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000895845768 684746399 /nfs/dbraw/zinc/74/63/99/684746399.db2.gz IUCUMRLSZBJXCH-QUCCMNQESA-N 2 0 329.488 2.439 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)cc1C ZINC001268670529 1183595187 /nfs/dbraw/zinc/59/51/87/1183595187.db2.gz CKOZFRBHXQBQHL-CRAIPNDOSA-N 2 0 335.492 2.184 10 10 EECERP COc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001265624160 1323275466 /nfs/dbraw/zinc/27/54/66/1323275466.db2.gz MPDBRNLCDSVGHL-GOSISDBHSA-N 2 0 347.503 2.284 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCC2)cc1C ZINC001280502736 1324260765 /nfs/dbraw/zinc/26/07/65/1324260765.db2.gz ZRCUUBYREIHIAL-UHFFFAOYSA-N 2 0 333.476 2.084 10 10 EECERP COC(=O)c1c(C[NH2+]CC2=CC[N@H+](C)CC2)c2cc(F)ccc2n1C ZINC001332705876 1335886915 /nfs/dbraw/zinc/88/69/15/1335886915.db2.gz SKYJEJIQXDGCOF-UHFFFAOYSA-N 2 0 345.418 2.456 10 10 EECERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917134 785068301 /nfs/dbraw/zinc/06/83/01/785068301.db2.gz NVKSUDKMWASTKK-FPOVZHCZSA-N 3 0 342.531 2.436 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001569056615 1125069136 /nfs/dbraw/zinc/06/91/36/1125069136.db2.gz JBYQFRSIRAPQOP-WMZOPIPTSA-N 2 0 347.503 2.471 10 10 EECERP COc1ccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C2CC2)cc1C ZINC001670454267 1176798292 /nfs/dbraw/zinc/79/82/92/1176798292.db2.gz AHMURZSVQVPPSQ-ZWKOTPCHSA-N 2 0 345.487 2.082 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086512 1315471339 /nfs/dbraw/zinc/47/13/39/1315471339.db2.gz KFPIGQMVWPVTBI-FPOVZHCZSA-N 3 0 342.531 2.402 10 10 EECERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480596738 1106734768 /nfs/dbraw/zinc/73/47/68/1106734768.db2.gz LQMVPRHMHZEOAQ-FUHWJXTLSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)cc1C ZINC001271090990 1185877546 /nfs/dbraw/zinc/87/75/46/1185877546.db2.gz DAMDEHUMTALORK-INIZCTEOSA-N 2 0 347.503 2.282 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C)CCC2)cc1C ZINC001484628064 1191448156 /nfs/dbraw/zinc/44/81/56/1191448156.db2.gz ONVGECZKAHOBEL-QGZVFWFLSA-N 2 0 345.487 2.226 10 10 EECERP COc1cccc(O)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000850357470 1277195923 /nfs/dbraw/zinc/19/59/23/1277195923.db2.gz KNYUQTLRNCJJJF-QGZVFWFLSA-N 2 0 342.439 2.257 10 10 EECERP C[C@H](NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1)[C@@H]1CCC[NH2+]1 ZINC000817917807 785069031 /nfs/dbraw/zinc/06/90/31/785069031.db2.gz SQTBKQJBYXZYHP-UWJYYQICSA-N 2 0 342.531 2.449 10 10 EECERP CO[C@H](CC[NH2+]Cc1ccc(N2CC[NH+](C)CC2)cc1)C(F)(F)F ZINC000786830217 806895615 /nfs/dbraw/zinc/89/56/15/806895615.db2.gz GPTOFVTXQLTTAY-MRXNPFEDSA-N 2 0 345.409 2.495 10 10 EECERP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775717897 577443582 /nfs/dbraw/zinc/44/35/82/577443582.db2.gz UGWHBBMBZTUQDE-PXNSSMCTSA-N 2 0 330.520 2.353 10 10 EECERP CC[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481877225 1182854856 /nfs/dbraw/zinc/85/48/56/1182854856.db2.gz CEHVJYCWPXBJDC-QGZVFWFLSA-N 2 0 333.476 2.084 10 10 EECERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001482816164 1187749350 /nfs/dbraw/zinc/74/93/50/1187749350.db2.gz DLGMSYGCTDSPLT-NVXWUHKLSA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(C[NH2+]C/C=C/CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001483082069 1188443472 /nfs/dbraw/zinc/44/34/72/1188443472.db2.gz JXINUNCBGMDMGC-WRFKIARRSA-N 2 0 345.487 2.107 10 10 EECERP CN(C)c1ccc(/C=C/C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125479 1315849079 /nfs/dbraw/zinc/84/90/79/1315849079.db2.gz XJNSBLXIDAUGMT-OAJJDEHYSA-N 2 0 329.488 2.453 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)cc1C ZINC001322679080 1333305813 /nfs/dbraw/zinc/30/58/13/1333305813.db2.gz YABNKHWPGKVTKO-UHFFFAOYSA-N 2 0 347.503 2.284 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001571392716 1343202521 /nfs/dbraw/zinc/20/25/21/1343202521.db2.gz CGSBPBQBHBRWGH-SJLPKXTDSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)cc1C ZINC001268227120 1182042325 /nfs/dbraw/zinc/04/23/25/1182042325.db2.gz QBIQAHAHZCVOKZ-QZTJIDSGSA-N 2 0 347.503 2.186 10 10 EECERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001482816160 1187749377 /nfs/dbraw/zinc/74/93/77/1187749377.db2.gz DLGMSYGCTDSPLT-DOTOQJQBSA-N 2 0 333.476 2.082 10 10 EECERP CN(C)c1cc(F)c(C[NH2+]CCCC[NH+]2CCOCC2)cc1F ZINC000858099459 1294006133 /nfs/dbraw/zinc/00/61/33/1294006133.db2.gz NTTRWNAJCYAAKT-UHFFFAOYSA-N 2 0 327.419 2.233 10 10 EECERP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1cc(Br)ccc1O ZINC000863544146 1296327541 /nfs/dbraw/zinc/32/75/41/1296327541.db2.gz MJHIYAURORFFRU-CYBMUJFWSA-N 2 0 331.254 2.431 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001670312440 1356316965 /nfs/dbraw/zinc/31/69/65/1356316965.db2.gz HXTUMSJSPFEPNJ-SFHVURJKSA-N 2 0 347.503 2.284 10 10 EECERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001674582961 1356860750 /nfs/dbraw/zinc/86/07/50/1356860750.db2.gz DIANKKIKIYFUCA-ABHNRTSZSA-N 2 0 347.503 2.328 10 10 EECERP OC1(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CCC1 ZINC000819200065 785459504 /nfs/dbraw/zinc/45/95/04/785459504.db2.gz ILUSIWBCIRDJCV-UHFFFAOYSA-N 2 0 329.488 2.223 10 10 EECERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001486480245 1193994294 /nfs/dbraw/zinc/99/42/94/1193994294.db2.gz QDVRBBAUJZLPSY-UHFFFAOYSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001331562225 1335037044 /nfs/dbraw/zinc/03/70/44/1335037044.db2.gz XIAOUYXPSHDOIT-DOTOQJQBSA-N 2 0 347.503 2.282 10 10 EECERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567022916 1342681814 /nfs/dbraw/zinc/68/18/14/1342681814.db2.gz WDHAQCBPGZVBDB-WMZOPIPTSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001670312437 1356316982 /nfs/dbraw/zinc/31/69/82/1356316982.db2.gz HXTUMSJSPFEPNJ-GOSISDBHSA-N 2 0 347.503 2.284 10 10 EECERP CC(C)C[C@H]([NH2+]Cc1ccc2c(c1)CCCO2)C(=O)NCC[NH+](C)C ZINC000921940172 798246993 /nfs/dbraw/zinc/24/69/93/798246993.db2.gz MZODBDPVQRCEID-SFHVURJKSA-N 2 0 347.503 2.194 10 10 EECERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001568645110 1124657439 /nfs/dbraw/zinc/65/74/39/1124657439.db2.gz BCNUQIOETILCNS-FUHWJXTLSA-N 2 0 347.503 2.472 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CN(C)C[C@H]3C)cc2F)CC1 ZINC000756117849 577838670 /nfs/dbraw/zinc/83/86/70/577838670.db2.gz BGAGEBWUEUVPNY-CRAIPNDOSA-N 2 0 334.483 2.007 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)cc1C ZINC001268670530 1183595036 /nfs/dbraw/zinc/59/50/36/1183595036.db2.gz CKOZFRBHXQBQHL-QAPCUYQASA-N 2 0 335.492 2.184 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC001483745418 1190898044 /nfs/dbraw/zinc/89/80/44/1190898044.db2.gz DIMAXFWDUGBRQI-KRWDZBQOSA-N 2 0 345.487 2.226 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925763697 1206151621 /nfs/dbraw/zinc/15/16/21/1206151621.db2.gz SYNZXKGWTKNJJD-QZTJIDSGSA-N 3 0 330.520 2.434 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001268056212 1181618611 /nfs/dbraw/zinc/61/86/11/1181618611.db2.gz RDIZNCGKDLKDMY-NVXWUHKLSA-N 2 0 333.476 2.034 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001276173131 1205813851 /nfs/dbraw/zinc/81/38/51/1205813851.db2.gz BNOSHTGYMDTEIA-QGZVFWFLSA-N 2 0 333.476 2.036 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]4[C@H]5OCC[C@H]5[C@@H]43)cc2)CC1 ZINC000903088582 1239702783 /nfs/dbraw/zinc/70/27/83/1239702783.db2.gz LOAQTQWWLLPPTC-WRTQPQOASA-N 2 0 341.499 2.342 10 10 EECERP C[C@@H](CC[NH+](C)C)C(=O)NC[C@@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001304769322 1331394835 /nfs/dbraw/zinc/39/48/35/1331394835.db2.gz VATLLSUTKSGTDT-YJBOKZPZSA-N 2 0 334.508 2.059 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C(C)(C)CO)cc2F)CC1 ZINC000924996177 682345273 /nfs/dbraw/zinc/34/52/73/682345273.db2.gz PLLYVLLSXAPFQQ-OAHLLOKOSA-N 2 0 337.483 2.464 10 10 EECERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001273019445 1194326749 /nfs/dbraw/zinc/32/67/49/1194326749.db2.gz WHDCIHHUKRXCJE-NVXWUHKLSA-N 2 0 347.503 2.330 10 10 EECERP C[C@@H]1COC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925676543 1206143069 /nfs/dbraw/zinc/14/30/69/1206143069.db2.gz KBEQEJCNQBQSEJ-UZLBHIALSA-N 2 0 329.488 2.343 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001265782907 1323378367 /nfs/dbraw/zinc/37/83/67/1323378367.db2.gz DDXJYMNMTVYMEF-OAHLLOKOSA-N 2 0 333.476 2.082 10 10 EECERP CN1CCN(c2ccc(C[N@H+]3C[C@]4(C)COC[C@]4(C)C3)cc2F)CC1 ZINC001333981790 1336186879 /nfs/dbraw/zinc/18/68/79/1336186879.db2.gz JWVZIHQHFKRNMZ-BGYRXZFFSA-N 2 0 347.478 2.436 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001567230523 1342713353 /nfs/dbraw/zinc/71/33/53/1342713353.db2.gz KFJBUFHPBVHXJN-DOTOQJQBSA-N 2 0 347.503 2.330 10 10 EECERP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001268463033 1182764983 /nfs/dbraw/zinc/76/49/83/1182764983.db2.gz UNMVATUIUZXAOU-GOSISDBHSA-N 2 0 347.503 2.426 10 10 EECERP CC[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001481877222 1182854164 /nfs/dbraw/zinc/85/41/64/1182854164.db2.gz CEHVJYCWPXBJDC-KRWDZBQOSA-N 2 0 333.476 2.084 10 10 EECERP CN(C)c1ccc(CN2C[C@H]3CC[C@@H](C2)[N@H+]3C2CC[NH2+]CC2)cc1 ZINC000903980376 1242845829 /nfs/dbraw/zinc/84/58/29/1242845829.db2.gz PQKDFHSRXXHZBG-BGYRXZFFSA-N 2 0 328.504 2.153 10 10 EECERP COc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1O ZINC000850344741 1277191172 /nfs/dbraw/zinc/19/11/72/1277191172.db2.gz UNYDSJYNMPZAFT-UHFFFAOYSA-N 2 0 334.460 2.381 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001331562226 1335037135 /nfs/dbraw/zinc/03/71/35/1335037135.db2.gz XIAOUYXPSHDOIT-NVXWUHKLSA-N 2 0 347.503 2.282 10 10 EECERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Br)cc1O ZINC000925810309 1206156576 /nfs/dbraw/zinc/15/65/76/1206156576.db2.gz DVXPORXNXORHQE-NSHDSACASA-N 2 0 342.281 2.228 10 10 EECERP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001282186269 1325645746 /nfs/dbraw/zinc/64/57/46/1325645746.db2.gz SWXWVQIMZGQPLS-HZPDHXFCSA-N 2 0 347.503 2.328 10 10 EECERP CC[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001318594632 1332565646 /nfs/dbraw/zinc/56/56/46/1332565646.db2.gz JEGOHBAMIMGDKJ-KRWDZBQOSA-N 2 0 345.487 2.084 10 10 EECERP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001668888277 1356037396 /nfs/dbraw/zinc/03/73/96/1356037396.db2.gz WBZFTTKUXASEJE-DUMMIQTOSA-N 2 0 345.487 2.250 10 10 EECERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567984047 1124216540 /nfs/dbraw/zinc/21/65/40/1124216540.db2.gz FKKDRRPUINCLOJ-QZTJIDSGSA-N 2 0 347.503 2.330 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CN(C)C[C@@H]3C)cc2F)CC1 ZINC000756117882 577838677 /nfs/dbraw/zinc/83/86/77/577838677.db2.gz BGAGEBWUEUVPNY-MAUKXSAKSA-N 2 0 334.483 2.007 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)C23CC[NH+](CC2)C3)cc1C ZINC001268916147 1183824963 /nfs/dbraw/zinc/82/49/63/1183824963.db2.gz YZVZVSIUSJFLHP-UHFFFAOYSA-N 2 0 345.487 2.038 10 10 EECERP Cc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1O ZINC000377695969 467118909 /nfs/dbraw/zinc/11/89/09/467118909.db2.gz KJDLXYNVTWKRIT-DFNIBXOVSA-N 2 0 329.488 2.443 10 10 EECERP CCOc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1O ZINC000530247583 467968196 /nfs/dbraw/zinc/96/81/96/467968196.db2.gz AXPRTGILEUFXPH-QGZVFWFLSA-N 2 0 334.460 2.381 10 10 EECERP CN(Cc1ccc(N2CC[NH+](C)CC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000775680379 577442671 /nfs/dbraw/zinc/44/26/71/577442671.db2.gz BOONSGGKJCMYMH-HXUWFJFHSA-N 2 0 328.504 2.107 10 10 EECERP Oc1cccc(Cl)c1CN1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH2+]CC1 ZINC000903980141 1242841357 /nfs/dbraw/zinc/84/13/57/1242841357.db2.gz JQNRMCCFUFNJOI-GASCZTMLSA-N 2 0 335.879 2.446 10 10 EECERP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001570631353 1343094998 /nfs/dbraw/zinc/09/49/98/1343094998.db2.gz UGZMLFAABWULKG-HZPDHXFCSA-N 2 0 347.503 2.328 10 10 EECERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001571490952 1343219088 /nfs/dbraw/zinc/21/90/88/1343219088.db2.gz LDUZYNAOYLVMLZ-SJLPKXTDSA-N 2 0 347.503 2.424 10 10 EECERP [NH3+][C@@H]1CCC[C@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917541 785068261 /nfs/dbraw/zinc/06/82/61/785068261.db2.gz RIGUKLZPOWWTLQ-WOJBJXKFSA-N 2 0 328.504 2.188 10 10 EECERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480596740 1106736302 /nfs/dbraw/zinc/73/63/02/1106736302.db2.gz LQMVPRHMHZEOAQ-WMZOPIPTSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1C ZINC001267473568 1179105527 /nfs/dbraw/zinc/10/55/27/1179105527.db2.gz KQRRXPYJFLHVAU-IRXDYDNUSA-N 2 0 347.503 2.424 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)cc2)CC1 ZINC000872253039 1198112483 /nfs/dbraw/zinc/11/24/83/1198112483.db2.gz ZBVRZJSQUAASAR-SFHVURJKSA-N 3 0 330.520 2.306 10 10 EECERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(N(C)C)cc2)CC1 ZINC000854232972 1292681436 /nfs/dbraw/zinc/68/14/36/1292681436.db2.gz YMFWNHUHQYNLBY-MRXNPFEDSA-N 2 0 346.519 2.394 10 10 EECERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567145990 1342701305 /nfs/dbraw/zinc/70/13/05/1342701305.db2.gz CDRGJQUKDYPEKZ-SFHVURJKSA-N 2 0 347.503 2.284 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)cc1C ZINC001663992982 1355069590 /nfs/dbraw/zinc/06/95/90/1355069590.db2.gz QPIQZEYOUMZCJF-SFHVURJKSA-N 2 0 347.503 2.426 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001666552151 1355543249 /nfs/dbraw/zinc/54/32/49/1355543249.db2.gz CKSWVWHZGAAGQB-YXJHDRRASA-N 2 0 347.503 2.186 10 10 EECERP COc1ccc(C[NH2+]Cc2cccnc2N2CC[NH+](C)CC2)cc1C ZINC000071834560 463436341 /nfs/dbraw/zinc/43/63/41/463436341.db2.gz ZQDMLOLWJAFBKI-UHFFFAOYSA-N 2 0 340.471 2.440 10 10 EECERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669172 577560589 /nfs/dbraw/zinc/56/05/89/577560589.db2.gz DYEWMWOCIRTBPX-DYESRHJHSA-N 2 0 342.531 2.258 10 10 EECERP COc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1O ZINC000841064034 693008075 /nfs/dbraw/zinc/00/80/75/693008075.db2.gz OIFXLTLHIAQEOI-CABZTGNLSA-N 2 0 329.238 2.251 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)cc1C ZINC001270785163 1185388398 /nfs/dbraw/zinc/38/83/98/1185388398.db2.gz JPQFVNUMTHYDAK-UHFFFAOYSA-N 2 0 347.503 2.474 10 10 EECERP COc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001483082067 1188443258 /nfs/dbraw/zinc/44/32/58/1188443258.db2.gz JXINUNCBGMDMGC-PYTPGESOSA-N 2 0 345.487 2.107 10 10 EECERP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCC2 ZINC000925505141 1206121004 /nfs/dbraw/zinc/12/10/04/1206121004.db2.gz RBHPCRJXGYAWRD-QZTJIDSGSA-N 2 0 333.451 2.146 10 10 EECERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc(Br)cc(C)c1O ZINC000863543884 1296327363 /nfs/dbraw/zinc/32/73/63/1296327363.db2.gz FPGZWJXXURSMIT-LLVKDONJSA-N 2 0 331.254 2.350 10 10 EECERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)cc1C ZINC001320640072 1332926687 /nfs/dbraw/zinc/92/66/87/1332926687.db2.gz NEYUDYGBWCKEGO-INIZCTEOSA-N 2 0 333.476 2.084 10 10 EECERP Cc1c(C[N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)cnn1C ZINC000790938735 809011680 /nfs/dbraw/zinc/01/16/80/809011680.db2.gz UNFUBGKNOUAVNO-UHFFFAOYSA-N 2 0 327.476 2.112 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001507111709 1115114395 /nfs/dbraw/zinc/11/43/95/1115114395.db2.gz CGSBPBQBHBRWGH-AEFFLSMTSA-N 2 0 347.503 2.424 10 10 EECERP Cn1cc(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)cn1 ZINC000092856021 1214678646 /nfs/dbraw/zinc/67/86/46/1214678646.db2.gz KCKFRBZGZJVALV-UHFFFAOYSA-N 2 0 339.487 2.242 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CCNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001567230524 1342713315 /nfs/dbraw/zinc/71/33/15/1342713315.db2.gz KFJBUFHPBVHXJN-NVXWUHKLSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+]C[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001569680944 1342923140 /nfs/dbraw/zinc/92/31/40/1342923140.db2.gz ABTARVVFJBMBGN-HXUWFJFHSA-N 2 0 347.503 2.284 10 10 EECERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@H]1C ZINC001571490950 1343219319 /nfs/dbraw/zinc/21/93/19/1343219319.db2.gz LDUZYNAOYLVMLZ-AEFFLSMTSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001498567879 1107734819 /nfs/dbraw/zinc/73/48/19/1107734819.db2.gz LMUJJWOLUUMPMC-SFHVURJKSA-N 2 0 347.503 2.426 10 10 EECERP CCN(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925856136 1206161866 /nfs/dbraw/zinc/16/18/66/1206161866.db2.gz WNLATYNAYINLCF-MAUKXSAKSA-N 2 0 345.487 2.479 10 10 EECERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1O ZINC000925859754 1206162552 /nfs/dbraw/zinc/16/25/52/1206162552.db2.gz XZZFAEYAJZHNIP-YPMHNXCESA-N 2 0 338.835 2.382 10 10 EECERP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841100575 1315475748 /nfs/dbraw/zinc/47/57/48/1315475748.db2.gz ZNJGELVCUANUKO-MEDHRJKHSA-N 2 0 340.475 2.153 10 10 EECERP CN(C)c1ccc(/C=C/C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125480 1315849118 /nfs/dbraw/zinc/84/91/18/1315849118.db2.gz XJNSBLXIDAUGMT-WHLIDYPQSA-N 2 0 329.488 2.453 10 10 EECERP CC[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001656139878 1354207426 /nfs/dbraw/zinc/20/74/26/1354207426.db2.gz NNQALCJVBQBIFO-FGTMMUONSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001674755215 1356890083 /nfs/dbraw/zinc/89/00/83/1356890083.db2.gz RKCSFLSLEVTVQZ-HZPDHXFCSA-N 2 0 345.487 2.082 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001277988803 1305610394 /nfs/dbraw/zinc/61/03/94/1305610394.db2.gz UBQIHVNKYVVRKW-SJLPKXTDSA-N 2 0 347.503 2.282 10 10 EECERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(OC)c(C)c2)CC[N@@H+]1C ZINC001265777281 1323375725 /nfs/dbraw/zinc/37/57/25/1323375725.db2.gz JXRZZTQCAYEXAY-BPQIPLTHSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)cc1C ZINC001662126409 1354752552 /nfs/dbraw/zinc/75/25/52/1354752552.db2.gz KXHDDMQUAJZXBD-UHFFFAOYSA-N 2 0 347.503 2.472 10 10 EECERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699763857 1405472968 /nfs/dbraw/zinc/47/29/68/1405472968.db2.gz SDJPVWQOTFCJCU-SFHVURJKSA-N 2 0 347.503 2.426 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001271531694 1186287845 /nfs/dbraw/zinc/28/78/45/1186287845.db2.gz OQMLLUOWQOJLAM-WMZOPIPTSA-N 2 0 347.503 2.282 10 10 EECERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C)cc1O ZINC000925848434 1206159964 /nfs/dbraw/zinc/15/99/64/1206159964.db2.gz APFIEKQOLBAEIP-GOEBONIOSA-N 2 0 332.444 2.427 10 10 EECERP [NH3+]CCCOCC[NH2+]Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1 ZINC000863649892 1296365730 /nfs/dbraw/zinc/36/57/30/1296365730.db2.gz KELDPYSGEGUTND-UHFFFAOYSA-N 2 0 336.436 2.040 10 10 EECERP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CO1 ZINC000842694659 1315755882 /nfs/dbraw/zinc/75/58/82/1315755882.db2.gz UTVLTMURYQHTLI-LPHOPBHVSA-N 2 0 329.488 2.486 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C23CC[NH+](CC2)C3)cc1C ZINC001676462182 1357153394 /nfs/dbraw/zinc/15/33/94/1357153394.db2.gz ZSSBOAFESPRTHL-MRXNPFEDSA-N 2 0 345.487 2.036 10 10 EECERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001495035928 1104676567 /nfs/dbraw/zinc/67/65/67/1104676567.db2.gz DKXCYIRVWWPEOK-IAGOWNOFSA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CC[N@H+](C)C2)C(C)C)cc1C ZINC001268227119 1182043189 /nfs/dbraw/zinc/04/31/89/1182043189.db2.gz QBIQAHAHZCVOKZ-MSOLQXFVSA-N 2 0 347.503 2.186 10 10 EECERP COc1ccc(C[NH2+]C/C=C\CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C ZINC001483082070 1188443453 /nfs/dbraw/zinc/44/34/53/1188443453.db2.gz JXINUNCBGMDMGC-XDXAGZTOSA-N 2 0 345.487 2.107 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC2)cc1C ZINC001569428782 1342868464 /nfs/dbraw/zinc/86/84/64/1342868464.db2.gz JTPAYOHPJLGAJC-GOSISDBHSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001570631351 1343094791 /nfs/dbraw/zinc/09/47/91/1343094791.db2.gz UGZMLFAABWULKG-CVEARBPZSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)cc1C ZINC001507089333 1115102402 /nfs/dbraw/zinc/10/24/02/1115102402.db2.gz MJIFOVNDYLHDDL-MRXNPFEDSA-N 2 0 347.503 2.424 10 10 EECERP C[C@@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763343983 577719552 /nfs/dbraw/zinc/71/95/52/577719552.db2.gz ZNLSNKWNAQUULZ-UZLBHIALSA-N 2 0 343.515 2.339 10 10 EECERP COc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)cc1C ZINC001486122627 1193688052 /nfs/dbraw/zinc/68/80/52/1193688052.db2.gz SRYAZQXODLUSBA-NVXWUHKLSA-N 2 0 333.476 2.034 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@H+]3C[C@]4(C)COC[C@]4(C)C3)cc2)CC1 ZINC000827017589 1249242349 /nfs/dbraw/zinc/24/23/49/1249242349.db2.gz FXGJCFNJMCERSC-BGYRXZFFSA-N 2 0 329.488 2.297 10 10 EECERP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000841088247 1315472086 /nfs/dbraw/zinc/47/20/86/1315472086.db2.gz TYMOTOAZBMJXEQ-UYAOXDASSA-N 2 0 329.488 2.487 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CF)CCOCC3)cc2)CC1 ZINC000824795414 788321687 /nfs/dbraw/zinc/32/16/87/788321687.db2.gz YPJVSUWIBAQBQP-UHFFFAOYSA-N 2 0 335.467 2.294 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+]C3CC(n4cccn4)C3)cc2)CC1 ZINC000895607643 684661343 /nfs/dbraw/zinc/66/13/43/684661343.db2.gz SEFCNZAKCYZFOL-UHFFFAOYSA-N 2 0 325.460 2.128 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001482319948 1185335753 /nfs/dbraw/zinc/33/57/53/1185335753.db2.gz QNAMGBQWCOLKDV-WMZOPIPTSA-N 2 0 347.503 2.424 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCN3C(C)(C)C)cc2)CC1 ZINC000850344257 1277189174 /nfs/dbraw/zinc/18/91/74/1277189174.db2.gz ZNOLDUJFRHMZPC-IBGZPJMESA-N 2 0 330.520 2.401 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001570631354 1343094926 /nfs/dbraw/zinc/09/49/26/1343094926.db2.gz UGZMLFAABWULKG-JKSUJKDBSA-N 2 0 347.503 2.328 10 10 EECERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917077 785068988 /nfs/dbraw/zinc/06/89/88/785068988.db2.gz MXQBOECOOSLTBE-IAGOWNOFSA-N 3 0 330.520 2.434 10 10 EECERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480596739 1106735861 /nfs/dbraw/zinc/73/58/61/1106735861.db2.gz LQMVPRHMHZEOAQ-SJLPKXTDSA-N 2 0 347.503 2.472 10 10 EECERP Cc1ccc(O)c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000756860398 577851747 /nfs/dbraw/zinc/85/17/47/577851747.db2.gz WEYNTMUIKOOUKF-RDJZCZTQSA-N 2 0 335.492 2.444 10 10 EECERP COc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)cc1C ZINC001267929248 1180777630 /nfs/dbraw/zinc/77/76/30/1180777630.db2.gz KXHDDMQUAJZXBD-IYARVYRRSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)cc1C ZINC001268096134 1181738740 /nfs/dbraw/zinc/73/87/40/1181738740.db2.gz YVLQXXXHHPRZES-MRXNPFEDSA-N 2 0 345.487 2.036 10 10 EECERP CC[NH+]1CCN(c2ccc(CN[C@@H]3CC[NH2+]C34CCC4)cc2F)CC1 ZINC000925557884 1206127943 /nfs/dbraw/zinc/12/79/43/1206127943.db2.gz PHXNOXLYPXEYBP-LJQANCHMSA-N 2 0 346.494 2.342 10 10 EECERP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000854218618 1292674907 /nfs/dbraw/zinc/67/49/07/1292674907.db2.gz ZGWZVQRHUVGSHU-YGWPLHOASA-N 2 0 345.487 2.021 10 10 EECERP COc1ccc(C[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C2CC2)cc1C ZINC001265380952 1323108759 /nfs/dbraw/zinc/10/87/59/1323108759.db2.gz XEMLJRVUZDDVMP-GOSISDBHSA-N 2 0 345.487 2.084 10 10 EECERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001498197656 1107063837 /nfs/dbraw/zinc/06/38/37/1107063837.db2.gz UHOUDOODSSLLJV-FUHWJXTLSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)C[N@H+](C)C3CCC3)CC2)cc1C ZINC001670797821 1183428716 /nfs/dbraw/zinc/42/87/16/1183428716.db2.gz NOULFTCFVNWEQO-UHFFFAOYSA-N 2 0 345.487 2.226 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]2C)cc1C ZINC001274296153 1204988226 /nfs/dbraw/zinc/98/82/26/1204988226.db2.gz AVHHBUMCPLHBCF-FUHWJXTLSA-N 2 0 347.503 2.280 10 10 EECERP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000903960050 1242734097 /nfs/dbraw/zinc/73/40/97/1242734097.db2.gz VWQKOTJKELTEJP-FQEVSTJZSA-N 2 0 329.488 2.489 10 10 EECERP CCOC(=O)C1=CC[C@H]([NH2+]Cc2ccc(N3CC[NH+](C)CC3)cc2)C1 ZINC000862488127 1295856565 /nfs/dbraw/zinc/85/65/65/1295856565.db2.gz BQSHLMWMRBWTEB-SFHVURJKSA-N 2 0 343.471 2.180 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086516 1315471518 /nfs/dbraw/zinc/47/15/18/1315471518.db2.gz KFPIGQMVWPVTBI-TZIWHRDSSA-N 3 0 342.531 2.402 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000843046559 1315828487 /nfs/dbraw/zinc/82/84/87/1315828487.db2.gz ZKLCORPUILYFIC-PZJWPPBQSA-N 3 0 342.531 2.402 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)CC1 ZINC000843124005 1315848273 /nfs/dbraw/zinc/84/82/73/1315848273.db2.gz SYWOZIVCHFOXCU-FQEVSTJZSA-N 3 0 328.504 2.014 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC2)cc1C ZINC001569428783 1342868794 /nfs/dbraw/zinc/86/87/94/1342868794.db2.gz JTPAYOHPJLGAJC-SFHVURJKSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001674755213 1356889872 /nfs/dbraw/zinc/88/98/72/1356889872.db2.gz RKCSFLSLEVTVQZ-CVEARBPZSA-N 2 0 345.487 2.082 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001495741620 1101511834 /nfs/dbraw/zinc/51/18/34/1101511834.db2.gz BZNGTXWUNMBBEC-CVEARBPZSA-N 2 0 347.503 2.187 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)cc1C ZINC001266614637 1176993086 /nfs/dbraw/zinc/99/30/86/1176993086.db2.gz LUCKSFUROOCFQS-QAQDUYKDSA-N 2 0 333.476 2.082 10 10 EECERP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(O)CC3)c(F)c2)C12CCC2 ZINC000925505143 1206120716 /nfs/dbraw/zinc/12/07/16/1206120716.db2.gz RBHPCRJXGYAWRD-ROUUACIJSA-N 2 0 333.451 2.146 10 10 EECERP C[C@@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925630234 1206137697 /nfs/dbraw/zinc/13/76/97/1206137697.db2.gz ONNSWTJPQIIIIL-UWJYYQICSA-N 2 0 342.531 2.449 10 10 EECERP CC[C@H]([NH2+]CCOCC[NH2+]C)c1cc(Br)ccc1O ZINC000863544147 1296328302 /nfs/dbraw/zinc/32/83/02/1296328302.db2.gz MJHIYAURORFFRU-ZDUSSCGKSA-N 2 0 331.254 2.431 10 10 EECERP Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(O)c1 ZINC000756856644 577851574 /nfs/dbraw/zinc/85/15/74/577851574.db2.gz GBSGHFKDKUTYGY-WBVHZDCISA-N 2 0 335.492 2.444 10 10 EECERP Cc1cc(O)c(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)c(Cl)c1 ZINC000840873591 679414362 /nfs/dbraw/zinc/41/43/62/679414362.db2.gz CNFDPRWTLVTZAJ-UHFFFAOYSA-N 2 0 325.884 2.470 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C)CCC2)cc1C ZINC001484628063 1191448026 /nfs/dbraw/zinc/44/80/26/1191448026.db2.gz ONVGECZKAHOBEL-KRWDZBQOSA-N 2 0 345.487 2.226 10 10 EECERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000925850482 1206160476 /nfs/dbraw/zinc/16/04/76/1206160476.db2.gz BEVWKFQSINJQOU-YOEHRIQHSA-N 2 0 331.460 2.089 10 10 EECERP COc1cccc(O)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000850357469 1277195873 /nfs/dbraw/zinc/19/58/73/1277195873.db2.gz KNYUQTLRNCJJJF-KRWDZBQOSA-N 2 0 342.439 2.257 10 10 EECERP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854218617 1292675656 /nfs/dbraw/zinc/67/56/56/1292675656.db2.gz ZGWZVQRHUVGSHU-MVJPYGJCSA-N 2 0 345.487 2.021 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1C ZINC001317082692 1332072839 /nfs/dbraw/zinc/07/28/39/1332072839.db2.gz RLNHDDRKAWPNDI-QAQDUYKDSA-N 2 0 345.487 2.225 10 10 EECERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001319534010 1332716818 /nfs/dbraw/zinc/71/68/18/1332716818.db2.gz NFKIGQFSOAFFCZ-RDJZCZTQSA-N 2 0 335.492 2.280 10 10 EECERP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)c(F)cc2[O-])CC1 ZINC000293545297 464410653 /nfs/dbraw/zinc/41/06/53/464410653.db2.gz GLZWHVULFSRGKP-UHFFFAOYSA-N 2 0 329.847 2.302 10 10 EECERP CC[N@@H+](Cc1ccc(N(C)C)cc1)C[C@@H](C[NH3+])Cc1cnn(C)c1C ZINC000903872488 1242258456 /nfs/dbraw/zinc/25/84/56/1242258456.db2.gz FLUKEUSAGQSWII-GOSISDBHSA-N 2 0 343.519 2.434 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)cc1C ZINC001277846341 1304866610 /nfs/dbraw/zinc/86/66/10/1304866610.db2.gz RWXQIYGSJVRAOY-INIZCTEOSA-N 2 0 347.503 2.424 10 10 EECERP CN(C)c1ccc(/C=C/C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841100574 1315476012 /nfs/dbraw/zinc/47/60/12/1315476012.db2.gz ZNJGELVCUANUKO-JUGMSXHOSA-N 2 0 340.475 2.153 10 10 EECERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567984048 1124215875 /nfs/dbraw/zinc/21/58/75/1124215875.db2.gz FKKDRRPUINCLOJ-ROUUACIJSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001271531691 1186287813 /nfs/dbraw/zinc/28/78/13/1186287813.db2.gz OQMLLUOWQOJLAM-AEFFLSMTSA-N 2 0 347.503 2.282 10 10 EECERP CCOCc1cc(CN[C@H]2C[NH2+]CC3(CCOCC3)C2)ccc1OC ZINC000903974561 1242813010 /nfs/dbraw/zinc/81/30/10/1242813010.db2.gz QOFGSRHEBYUKGP-GOSISDBHSA-N 2 0 348.487 2.480 10 10 EECERP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C1([NH+](C)C)CCC1 ZINC001320757130 1332946928 /nfs/dbraw/zinc/94/69/28/1332946928.db2.gz YIUKEHJQROUWFP-UHFFFAOYSA-N 2 0 347.503 2.426 10 10 EECERP CN1CCN(c2ccc(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)cc2F)CC1 ZINC001329702864 1334699689 /nfs/dbraw/zinc/69/96/89/1334699689.db2.gz SSLMSGDWMUVQQB-QGZVFWFLSA-N 3 0 348.510 2.445 10 10 EECERP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001668888279 1356036933 /nfs/dbraw/zinc/03/69/33/1356036933.db2.gz WBZFTTKUXASEJE-OOFWQKGWSA-N 2 0 345.487 2.250 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)cc1C ZINC001568277896 1124400500 /nfs/dbraw/zinc/40/05/00/1124400500.db2.gz ISQUNLUCIPCQLQ-INIZCTEOSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001568645111 1124656972 /nfs/dbraw/zinc/65/69/72/1124656972.db2.gz BCNUQIOETILCNS-SJLPKXTDSA-N 2 0 347.503 2.472 10 10 EECERP COC(=O)[C@]12C[C@H]([NH3+])C[C@H]1C[N@H+](Cc1c(O)cc(C)cc1Cl)C2 ZINC000903976864 1242825437 /nfs/dbraw/zinc/82/54/37/1242825437.db2.gz FNQRDDYKMWWBRG-JKDFXYPNSA-N 2 0 338.835 2.066 10 10 EECERP COc1ccc(N2CC[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000854218615 1292674958 /nfs/dbraw/zinc/67/49/58/1292674958.db2.gz ZGWZVQRHUVGSHU-JOCLIGHLSA-N 2 0 345.487 2.021 10 10 EECERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001277987996 1305608867 /nfs/dbraw/zinc/60/88/67/1305608867.db2.gz MCHQGYQCZIAPKK-RDJZCZTQSA-N 2 0 335.492 2.280 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001331456624 1335017120 /nfs/dbraw/zinc/01/71/20/1335017120.db2.gz VHFSGSXRVKBDDL-JFIYKMOQSA-N 2 0 347.503 2.280 10 10 EECERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917078 785068465 /nfs/dbraw/zinc/06/84/65/785068465.db2.gz MXQBOECOOSLTBE-IRXDYDNUSA-N 3 0 330.520 2.434 10 10 EECERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000738168813 578002367 /nfs/dbraw/zinc/00/23/67/578002367.db2.gz AKVNORSEFNMMKC-HXUWFJFHSA-N 2 0 343.515 2.483 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C)[C@H]3C)cc2F)CC1 ZINC000924995461 682343836 /nfs/dbraw/zinc/34/38/36/682343836.db2.gz GKGARQNPXRVJLB-IIDMSEBBSA-N 2 0 335.467 2.481 10 10 EECERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001269412837 1184248213 /nfs/dbraw/zinc/24/82/13/1184248213.db2.gz MHGXAHXGMDDSEC-QGZVFWFLSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)cc1C ZINC001486122629 1193688143 /nfs/dbraw/zinc/68/81/43/1193688143.db2.gz SRYAZQXODLUSBA-WBVHZDCISA-N 2 0 333.476 2.034 10 10 EECERP CC1(C[NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)COC1 ZINC000796343356 1213853101 /nfs/dbraw/zinc/85/31/01/1213853101.db2.gz AGFUHVCZKYLQOK-UHFFFAOYSA-N 2 0 329.488 2.345 10 10 EECERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(N(C)C)cc1C(F)(F)F ZINC000863647788 1296364993 /nfs/dbraw/zinc/36/49/93/1296364993.db2.gz VYFOXFODXOOIRU-UHFFFAOYSA-N 2 0 333.398 2.439 10 10 EECERP CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122026 1315847715 /nfs/dbraw/zinc/84/77/15/1315847715.db2.gz NNYLBTVONGKFMP-SFFCAUCYSA-N 2 0 344.503 2.085 10 10 EECERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001480596737 1106736322 /nfs/dbraw/zinc/73/63/22/1106736322.db2.gz LQMVPRHMHZEOAQ-AEFFLSMTSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001569056614 1125069699 /nfs/dbraw/zinc/06/96/99/1125069699.db2.gz JBYQFRSIRAPQOP-FUHWJXTLSA-N 2 0 347.503 2.471 10 10 EECERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cc3c(cc2O)CCC3)CC1 ZINC000738168812 578002320 /nfs/dbraw/zinc/00/23/20/578002320.db2.gz AKVNORSEFNMMKC-FQEVSTJZSA-N 2 0 343.515 2.483 10 10 EECERP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000843045762 1315827883 /nfs/dbraw/zinc/82/78/83/1315827883.db2.gz VUJVSUZWXBIBCY-QUCCMNQESA-N 2 0 329.488 2.487 10 10 EECERP COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001330883217 1334920716 /nfs/dbraw/zinc/92/07/16/1334920716.db2.gz NGFOGBHZZOWUGQ-FUHWJXTLSA-N 2 0 347.503 2.472 10 10 EECERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]Cc2ccc(OC)c(C)c2)C1 ZINC001567145989 1342701270 /nfs/dbraw/zinc/70/12/70/1342701270.db2.gz CDRGJQUKDYPEKZ-GOSISDBHSA-N 2 0 347.503 2.284 10 10 EECERP CN(C(=O)c1ccccc1CC[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000846674464 790366759 /nfs/dbraw/zinc/36/67/59/790366759.db2.gz YLOVDHJHYZXSQF-UHFFFAOYSA-N 2 0 341.455 2.405 10 10 EECERP Cc1cc(N(C)C)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)N2C1CC[NH2+]CC1 ZINC000903980150 1242842848 /nfs/dbraw/zinc/84/28/48/1242842848.db2.gz KAXORWPGDIWEDU-OYRHEFFESA-N 2 0 342.531 2.462 10 10 EECERP COc1ccc(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000826941902 1248169808 /nfs/dbraw/zinc/16/98/08/1248169808.db2.gz MGUJIXVVXNAZHH-SFHVURJKSA-N 2 0 342.439 2.257 10 10 EECERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2c(O)cc(C)cc2Cl)CC1 ZINC000840877188 1315425873 /nfs/dbraw/zinc/42/58/73/1315425873.db2.gz YODIGMZOVLHHKN-CQSZACIVSA-N 2 0 325.884 2.470 10 10 EECERP CCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1O ZINC000121109152 463081523 /nfs/dbraw/zinc/08/15/23/463081523.db2.gz OWAHMXVHQBKTOO-HNNXBMFYSA-N 2 0 336.476 2.316 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CO[C@@H](C)[C@@H]3C)cc2F)CC1 ZINC000924995466 682343677 /nfs/dbraw/zinc/34/36/77/682343677.db2.gz GKGARQNPXRVJLB-RLFYNMQTSA-N 2 0 335.467 2.481 10 10 EECERP CN(C)c1ccc(/C=C\C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122028 1315847837 /nfs/dbraw/zinc/84/78/37/1315847837.db2.gz NNYLBTVONGKFMP-VOFKWLDRSA-N 2 0 344.503 2.085 10 10 EECERP COc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1C ZINC001320640073 1332926768 /nfs/dbraw/zinc/92/67/68/1332926768.db2.gz NEYUDYGBWCKEGO-MRXNPFEDSA-N 2 0 333.476 2.084 10 10 EECERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917076 785069145 /nfs/dbraw/zinc/06/91/45/785069145.db2.gz MXQBOECOOSLTBE-DLBZAZTESA-N 3 0 330.520 2.434 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001496145971 1102134400 /nfs/dbraw/zinc/13/44/00/1102134400.db2.gz VZYFCDUJDRNTMZ-INIZCTEOSA-N 2 0 347.503 2.282 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C2CC2)cc1C ZINC001670454262 1176797972 /nfs/dbraw/zinc/79/79/72/1176797972.db2.gz AHMURZSVQVPPSQ-MSOLQXFVSA-N 2 0 345.487 2.082 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C)cc1C ZINC001268056211 1181618939 /nfs/dbraw/zinc/61/89/39/1181618939.db2.gz RDIZNCGKDLKDMY-DOTOQJQBSA-N 2 0 333.476 2.034 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001482108720 1183343502 /nfs/dbraw/zinc/34/35/02/1183343502.db2.gz VPLIERPTGTUBCH-OAHLLOKOSA-N 2 0 347.503 2.330 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086510 1315471797 /nfs/dbraw/zinc/47/17/97/1315471797.db2.gz KFPIGQMVWPVTBI-CTNGQTDRSA-N 3 0 342.531 2.402 10 10 EECERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001265503150 1323186397 /nfs/dbraw/zinc/18/63/97/1323186397.db2.gz KXSJFBIRYPMEOP-BRWVUGGUSA-N 2 0 333.476 2.081 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001321540998 1333120870 /nfs/dbraw/zinc/12/08/70/1333120870.db2.gz DKMGXOFGSOBEIK-OAHLLOKOSA-N 2 0 333.476 2.082 10 10 EECERP CN1CCN(c2ccc(C[NH2+]CC3CCC(O)CC3)cc2F)CC1 ZINC001329564372 1334674985 /nfs/dbraw/zinc/67/49/85/1334674985.db2.gz GZGXIUILDFNHNB-UHFFFAOYSA-N 2 0 335.467 2.218 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001495741624 1101511487 /nfs/dbraw/zinc/51/14/87/1101511487.db2.gz BZNGTXWUNMBBEC-HZPDHXFCSA-N 2 0 347.503 2.187 10 10 EECERP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)[C@@H]1CCC[N@@H+]1C ZINC001482914052 1187840111 /nfs/dbraw/zinc/84/01/11/1187840111.db2.gz HFCVBMCUOGSSDE-KRWDZBQOSA-N 2 0 333.476 2.036 10 10 EECERP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2c1c(F)ccc2O ZINC000925854929 1206161295 /nfs/dbraw/zinc/16/12/95/1206161295.db2.gz KHPRGIRUMFLPQM-BZPMIXESSA-N 2 0 348.418 2.355 10 10 EECERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CC[NH+](CC4CC4)CC3)cc2)CO1 ZINC000842694657 1315755860 /nfs/dbraw/zinc/75/58/60/1315755860.db2.gz UTVLTMURYQHTLI-APWZRJJASA-N 2 0 329.488 2.486 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C(C)(C)CO)cc2F)CC1 ZINC000924996176 682344814 /nfs/dbraw/zinc/34/48/14/682344814.db2.gz PLLYVLLSXAPFQQ-HNNXBMFYSA-N 2 0 337.483 2.464 10 10 EECERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C)cc1O ZINC000925848433 1206160102 /nfs/dbraw/zinc/16/01/02/1206160102.db2.gz APFIEKQOLBAEIP-GDBMZVCRSA-N 2 0 332.444 2.427 10 10 EECERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(OC)c(C)c1)[NH+](C)C ZINC001277987995 1305608628 /nfs/dbraw/zinc/60/86/28/1305608628.db2.gz MCHQGYQCZIAPKK-NVXWUHKLSA-N 2 0 335.492 2.280 10 10 EECERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567974354 1124212433 /nfs/dbraw/zinc/21/24/33/1124212433.db2.gz XMJKCPICGUHWKV-ROUUACIJSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001482319947 1185335444 /nfs/dbraw/zinc/33/54/44/1185335444.db2.gz QNAMGBQWCOLKDV-AEFFLSMTSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)cc1C ZINC001278666861 1317603191 /nfs/dbraw/zinc/60/31/91/1317603191.db2.gz HXKZMRNUUWGNMS-SFHVURJKSA-N 2 0 347.503 2.282 10 10 EECERP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001668555112 1355961615 /nfs/dbraw/zinc/96/16/15/1355961615.db2.gz IRNCKCNUHBRBMX-INIZCTEOSA-N 2 0 347.503 2.284 10 10 EECERP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1C ZINC001672305773 1356498381 /nfs/dbraw/zinc/49/83/81/1356498381.db2.gz LYQWSOLIKHOLRX-WMZOPIPTSA-N 2 0 347.503 2.139 10 10 EECERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699761697 1405471294 /nfs/dbraw/zinc/47/12/94/1405471294.db2.gz IAOVBZKUAWPXGM-GOSISDBHSA-N 2 0 347.503 2.426 10 10 EECERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817917132 785068618 /nfs/dbraw/zinc/06/86/18/785068618.db2.gz NVKSUDKMWASTKK-CTNGQTDRSA-N 3 0 342.531 2.436 10 10 EECERP CSC[C@@H](O)C[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000819200335 785459404 /nfs/dbraw/zinc/45/94/04/785459404.db2.gz NVEGOUOPTKLOAJ-IBGZPJMESA-N 2 0 349.544 2.032 10 10 EECERP COc1cccc(O)c1C[NH+]1CCN(c2cc[nH+]cc2OC)CC1 ZINC000793371799 810291953 /nfs/dbraw/zinc/29/19/53/810291953.db2.gz ZGEMQAOKOONGIA-UHFFFAOYSA-N 2 0 329.400 2.127 10 10 EECERP COCC[N@@H+](Cc1cc(F)cc(F)c1[O-])CC1CC[NH+](C)CC1 ZINC000895417345 684593626 /nfs/dbraw/zinc/59/36/26/684593626.db2.gz YNNOICIQRXTKMF-UHFFFAOYSA-N 2 0 328.403 2.461 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CC[C@H]([C@@H]4CCCO4)C3)cc2)CC1 ZINC000895845767 684746465 /nfs/dbraw/zinc/74/64/65/684746465.db2.gz IUCUMRLSZBJXCH-ICSRJNTNSA-N 2 0 329.488 2.439 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001482108719 1183343859 /nfs/dbraw/zinc/34/38/59/1183343859.db2.gz VPLIERPTGTUBCH-HNNXBMFYSA-N 2 0 347.503 2.330 10 10 EECERP Cc1cc(C)c([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(O)c1 ZINC000925850729 1206160544 /nfs/dbraw/zinc/16/05/44/1206160544.db2.gz POINZNZMGUEVHD-HUUCEWRRSA-N 2 0 332.444 2.345 10 10 EECERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(F)ccc2O)CC1 ZINC000854232304 1292680686 /nfs/dbraw/zinc/68/06/86/1292680686.db2.gz RZKIBPUFTSKIJL-ZDUSSCGKSA-N 2 0 337.439 2.173 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4(CO)C3)cc2)CC1 ZINC000862529357 1295869169 /nfs/dbraw/zinc/86/91/69/1295869169.db2.gz SMXMELSQXAPYRF-AZUAARDMSA-N 2 0 329.488 2.033 10 10 EECERP COc1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc1C ZINC001491887280 1330290106 /nfs/dbraw/zinc/29/01/06/1330290106.db2.gz WDGVTUHAIMHXPS-MSOLQXFVSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001567230525 1342713229 /nfs/dbraw/zinc/71/32/29/1342713229.db2.gz KFJBUFHPBVHXJN-RDJZCZTQSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001569038825 1125058359 /nfs/dbraw/zinc/05/83/59/1125058359.db2.gz QIRDHSDIJWJENH-QGZVFWFLSA-N 2 0 347.503 2.474 10 10 EECERP CCOc1ccc(O)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248549 467968437 /nfs/dbraw/zinc/96/84/37/467968437.db2.gz MFFICYQTLMNKJL-GOSISDBHSA-N 2 0 334.460 2.381 10 10 EECERP COc1ccc(O)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000826941900 1248169312 /nfs/dbraw/zinc/16/93/12/1248169312.db2.gz MGUJIXVVXNAZHH-GOSISDBHSA-N 2 0 342.439 2.257 10 10 EECERP CCN(CC[NH2+]Cc1ccc(OC)c(C)c1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001668555113 1355962586 /nfs/dbraw/zinc/96/25/86/1355962586.db2.gz IRNCKCNUHBRBMX-MRXNPFEDSA-N 2 0 347.503 2.284 10 10 EECERP COc1ccc(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C(C)C)cc1C ZINC001667519614 1355753787 /nfs/dbraw/zinc/75/37/87/1355753787.db2.gz JUERKFGZJCACJG-SFHVURJKSA-N 2 0 347.503 2.330 10 10 EECERP Oc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCOCC3)CC1)CCC2 ZINC000054518665 793951133 /nfs/dbraw/zinc/95/11/33/793951133.db2.gz LSHGCNAGNPXSGV-UHFFFAOYSA-N 2 0 330.472 2.425 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001496145972 1102134685 /nfs/dbraw/zinc/13/46/85/1102134685.db2.gz VZYFCDUJDRNTMZ-MRXNPFEDSA-N 2 0 347.503 2.282 10 10 EECERP CCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1O ZINC000121109001 463081464 /nfs/dbraw/zinc/08/14/64/463081464.db2.gz OWAHMXVHQBKTOO-OAHLLOKOSA-N 2 0 336.476 2.316 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001268056214 1181618271 /nfs/dbraw/zinc/61/82/71/1181618271.db2.gz RDIZNCGKDLKDMY-WBVHZDCISA-N 2 0 333.476 2.034 10 10 EECERP C[C@@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925630232 1206137620 /nfs/dbraw/zinc/13/76/20/1206137620.db2.gz ONNSWTJPQIIIIL-LAUBAEHRSA-N 2 0 342.531 2.449 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCN3C(C)(C)C)cc2)CC1 ZINC000850344258 1277188506 /nfs/dbraw/zinc/18/85/06/1277188506.db2.gz ZNOLDUJFRHMZPC-LJQANCHMSA-N 2 0 330.520 2.401 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001321563816 1333125145 /nfs/dbraw/zinc/12/51/45/1333125145.db2.gz NZKWQGFUQINDKW-NVXWUHKLSA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)cc1C ZINC001331542110 1335034132 /nfs/dbraw/zinc/03/41/32/1335034132.db2.gz DADFWMJHJJIHEE-INIZCTEOSA-N 2 0 347.503 2.282 10 10 EECERP Cc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(O)c1 ZINC000756856641 577851576 /nfs/dbraw/zinc/85/15/76/577851576.db2.gz GBSGHFKDKUTYGY-RDJZCZTQSA-N 2 0 335.492 2.444 10 10 EECERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C)cc2O)CC1 ZINC000854232932 1292681040 /nfs/dbraw/zinc/68/10/40/1292681040.db2.gz XYBJBSMDORVOAJ-HNNXBMFYSA-N 2 0 333.476 2.342 10 10 EECERP C[N@H+](Cc1ccc(N2CC[NH+](C)CC2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843047065 1315828857 /nfs/dbraw/zinc/82/88/57/1315828857.db2.gz MUQVAZUIQBAXCA-UFRUDQCGSA-N 3 0 328.504 2.153 10 10 EECERP CN(C)c1ccc(/C=C/C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000843122027 1315848019 /nfs/dbraw/zinc/84/80/19/1315848019.db2.gz NNYLBTVONGKFMP-UEKDZROGSA-N 2 0 344.503 2.085 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001317403426 1332215864 /nfs/dbraw/zinc/21/58/64/1332215864.db2.gz YEFAQQMRBUNTEX-AEFFLSMTSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+](C)C)cc1C ZINC001567023985 1342682123 /nfs/dbraw/zinc/68/21/23/1342682123.db2.gz DHXDNNJQXBICBO-YJBOKZPZSA-N 2 0 335.492 2.184 10 10 EECERP COc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)cc1C ZINC001676017637 1357089194 /nfs/dbraw/zinc/08/91/94/1357089194.db2.gz AADDXKLYACQALB-AEFFLSMTSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)cc1C ZINC001676017638 1357089316 /nfs/dbraw/zinc/08/93/16/1357089316.db2.gz AADDXKLYACQALB-FUHWJXTLSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(O)c([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000817984424 785133415 /nfs/dbraw/zinc/13/34/15/785133415.db2.gz YBSULZBLVXESGH-QQFBHYJXSA-N 2 0 333.476 2.268 10 10 EECERP COc1ccc(N2CCN(CCC[NH2+][C@@H](C)C(C)(C)CO)CC2)cc1 ZINC000924578868 681974140 /nfs/dbraw/zinc/97/41/40/681974140.db2.gz CYDLWCZKPCDBJK-KRWDZBQOSA-N 2 0 349.519 2.204 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001271531692 1186287837 /nfs/dbraw/zinc/28/78/37/1186287837.db2.gz OQMLLUOWQOJLAM-FUHWJXTLSA-N 2 0 347.503 2.282 10 10 EECERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(OC)ccc2O)CC1 ZINC000854231312 1292681972 /nfs/dbraw/zinc/68/19/72/1292681972.db2.gz JHJOSOXFSMKWIN-CQSZACIVSA-N 2 0 349.475 2.042 10 10 EECERP CN(C)c1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000193450929 529780276 /nfs/dbraw/zinc/78/02/76/529780276.db2.gz JSOYWIWQQINOPQ-WCRBZPEASA-N 2 0 342.531 2.495 10 10 EECERP CCOc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1O ZINC000530247581 317704201 /nfs/dbraw/zinc/70/42/01/317704201.db2.gz AXPRTGILEUFXPH-KRWDZBQOSA-N 2 0 334.460 2.381 10 10 EECERP C[NH+]1CCN(c2ncccc2C[NH2+]Cc2ccc3c(c2)CCO3)CC1 ZINC000071834557 463435646 /nfs/dbraw/zinc/43/56/46/463435646.db2.gz ZZIXPWBCPOJPKG-UHFFFAOYSA-N 2 0 338.455 2.058 10 10 EECERP C[C@H]1[NH2+]CCC[C@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925630231 1206137647 /nfs/dbraw/zinc/13/76/47/1206137647.db2.gz ONNSWTJPQIIIIL-DYESRHJHSA-N 2 0 342.531 2.449 10 10 EECERP CCN(CC)c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH3+])C[C@]3(C(=O)OC)C2)cc1 ZINC000903979115 1242836631 /nfs/dbraw/zinc/83/66/31/1242836631.db2.gz VZKNMDHFFQIQRP-QKLQHJQFSA-N 2 0 345.487 2.245 10 10 EECERP COc1cc(Br)cc(C[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)c1O ZINC000903964843 796284441 /nfs/dbraw/zinc/28/44/41/796284441.db2.gz SLARBMSRMXQJGW-KOLCDFICSA-N 2 0 329.238 2.108 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+]CC3(CO)CC4(CCC4)C3)cc2)CC1 ZINC000788528383 807581437 /nfs/dbraw/zinc/58/14/37/807581437.db2.gz BPGZJODKLLEFNV-UHFFFAOYSA-N 2 0 343.515 2.471 10 10 EECERP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2c1c(F)ccc2O ZINC000925855176 1206161528 /nfs/dbraw/zinc/16/15/28/1206161528.db2.gz KHPRGIRUMFLPQM-YRGRVCCFSA-N 2 0 348.418 2.355 10 10 EECERP CC(C)C[C@H]([NH2+][C@@H](C)c1cc(F)ccc1O)C(=O)NCC[NH+](C)C ZINC000756858357 577851684 /nfs/dbraw/zinc/85/16/84/577851684.db2.gz OJFGRZYYYVNDEZ-BBRMVZONSA-N 2 0 339.455 2.274 10 10 EECERP COc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001273019448 1194326610 /nfs/dbraw/zinc/32/66/10/1194326610.db2.gz WHDCIHHUKRXCJE-WBVHZDCISA-N 2 0 347.503 2.330 10 10 EECERP CCC[N@H+](Cc1cnnn1[C@@H]1CCC[NH2+]C1)Cc1ccccc1O ZINC000903889960 1242345851 /nfs/dbraw/zinc/34/58/51/1242345851.db2.gz WQMBAUVCAASKHN-MRXNPFEDSA-N 2 0 329.448 2.320 10 10 EECERP COc1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001666552150 1355543529 /nfs/dbraw/zinc/54/35/29/1355543529.db2.gz CKSWVWHZGAAGQB-QGPMSJSTSA-N 2 0 347.503 2.186 10 10 EECERP COc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001668888280 1356037351 /nfs/dbraw/zinc/03/73/51/1356037351.db2.gz WBZFTTKUXASEJE-QWNKOJSDSA-N 2 0 345.487 2.250 10 10 EECERP CCN(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925856137 1206161639 /nfs/dbraw/zinc/16/16/39/1206161639.db2.gz WNLATYNAYINLCF-QAPCUYQASA-N 2 0 345.487 2.479 10 10 EECERP Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(O)c1C ZINC000925857608 1206162127 /nfs/dbraw/zinc/16/21/27/1206162127.db2.gz PVOGITDQZJSHMC-GJZGRUSLSA-N 2 0 332.444 2.345 10 10 EECERP Oc1ccc(Br)cc1C[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000903955279 1242699880 /nfs/dbraw/zinc/69/98/80/1242699880.db2.gz OJCUUEMDYMAQNB-SNVBAGLBSA-N 2 0 335.192 2.489 10 10 EECERP C[C@H](CC[NH+](C)C)C(=O)NC[C@H](c1ccc(N(C)C)cc1)[NH+](C)C ZINC001304769308 1331396103 /nfs/dbraw/zinc/39/61/03/1331396103.db2.gz VATLLSUTKSGTDT-CRAIPNDOSA-N 2 0 334.508 2.059 10 10 EECERP COc1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)cc1C ZINC001499843143 1112508597 /nfs/dbraw/zinc/50/85/97/1112508597.db2.gz FMLKICNZABUTBQ-AEFFLSMTSA-N 2 0 347.503 2.424 10 10 EECERP Cc1cc(Cl)cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1O ZINC000282402280 464804569 /nfs/dbraw/zinc/80/45/69/464804569.db2.gz RTMIQIPQZSNAIS-UHFFFAOYSA-N 2 0 325.884 2.470 10 10 EECERP C[C@H]1[NH2+]CCC[C@@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925630233 1206137673 /nfs/dbraw/zinc/13/76/73/1206137673.db2.gz ONNSWTJPQIIIIL-UTKZUKDTSA-N 2 0 342.531 2.449 10 10 EECERP C[NH+]1CCN(c2ccc(C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc2)CC1 ZINC000925763693 1206151669 /nfs/dbraw/zinc/15/16/69/1206151669.db2.gz SYNZXKGWTKNJJD-MSOLQXFVSA-N 3 0 330.520 2.434 10 10 EECERP COc1ccc(N2CC[NH+](CC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1F ZINC000903913960 1242461099 /nfs/dbraw/zinc/46/10/99/1242461099.db2.gz QUIGXFVPPYAMCI-MQVJKMGUSA-N 2 0 333.451 2.487 10 10 EECERP CCOCc1cc(CN[C@@H]2C[NH2+]CC3(CCOCC3)C2)ccc1OC ZINC000903974562 1242813157 /nfs/dbraw/zinc/81/31/57/1242813157.db2.gz QOFGSRHEBYUKGP-SFHVURJKSA-N 2 0 348.487 2.480 10 10 EECERP c1cc(N2CCOCC2)ccc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000841088245 1315472454 /nfs/dbraw/zinc/47/24/54/1315472454.db2.gz TYMOTOAZBMJXEQ-QUCCMNQESA-N 2 0 329.488 2.487 10 10 EECERP CCO[C@@H]1CN(Cc2cc(C)cc(Br)c2O)C[C@H]1C[NH3+] ZINC000844904025 789445075 /nfs/dbraw/zinc/44/50/75/789445075.db2.gz WRISOCASVVGBOG-TZMCWYRMSA-N 2 0 343.265 2.259 10 10 EECERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001498197658 1107063404 /nfs/dbraw/zinc/06/34/04/1107063404.db2.gz UHOUDOODSSLLJV-WMZOPIPTSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(N2CCC([NH2+]CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000158782657 463252665 /nfs/dbraw/zinc/25/26/65/463252665.db2.gz FHUUMJPNLNTZMF-UHFFFAOYSA-N 2 0 347.503 2.366 10 10 EECERP C[C@H]1C[N@H+](Cc2cc3c(cc2O)CCC3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000763343975 577719614 /nfs/dbraw/zinc/71/96/14/577719614.db2.gz ZNLSNKWNAQUULZ-JXFKEZNVSA-N 2 0 343.515 2.339 10 10 EECERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1O ZINC000925859750 1206162456 /nfs/dbraw/zinc/16/24/56/1206162456.db2.gz XZZFAEYAJZHNIP-DGCLKSJQSA-N 2 0 338.835 2.382 10 10 EECERP CN(C)c1ccc(/C=C\C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000841100577 1315475895 /nfs/dbraw/zinc/47/58/95/1315475895.db2.gz ZNJGELVCUANUKO-UABKOXTMSA-N 2 0 340.475 2.153 10 10 EECERP C[N@H+](Cc1ccc(N2CCOCC2)c(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000843047069 1315829049 /nfs/dbraw/zinc/82/90/49/1315829049.db2.gz MYZKPHUETNWLPH-SJPCQFCGSA-N 2 0 333.451 2.377 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)cc1C ZINC001317598288 1332318266 /nfs/dbraw/zinc/31/82/66/1332318266.db2.gz MPAPBIJITLBXBY-SFHVURJKSA-N 2 0 335.492 2.138 10 10 EECERP COc1ccc(C[NH2+]C[C@H]2CN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1C ZINC001672305771 1356498397 /nfs/dbraw/zinc/49/83/97/1356498397.db2.gz LYQWSOLIKHOLRX-AEFFLSMTSA-N 2 0 347.503 2.139 10 10 EECERP C[C@H]1COC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925676476 1206142820 /nfs/dbraw/zinc/14/28/20/1206142820.db2.gz KBEQEJCNQBQSEJ-OXJNMPFZSA-N 2 0 329.488 2.343 10 10 EECERP C[C@@H]1COC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000925676477 1206142935 /nfs/dbraw/zinc/14/29/35/1206142935.db2.gz KBEQEJCNQBQSEJ-OXQOHEQNSA-N 2 0 329.488 2.343 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)CC1 ZINC000843046558 1315828309 /nfs/dbraw/zinc/82/83/09/1315828309.db2.gz ZKLCORPUILYFIC-FPOVZHCZSA-N 3 0 342.531 2.402 10 10 EECERP COc1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1C ZINC001491887283 1330290043 /nfs/dbraw/zinc/29/00/43/1330290043.db2.gz WDGVTUHAIMHXPS-ZWKOTPCHSA-N 2 0 347.503 2.472 10 10 EECERP COc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001568851675 1124872367 /nfs/dbraw/zinc/87/23/67/1124872367.db2.gz IYHQWNSMAXDPLS-GOVFWEMJSA-N 2 0 345.487 2.106 10 10 EECERP Cc1cc(Cl)cc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1O ZINC000186595522 464029756 /nfs/dbraw/zinc/02/97/56/464029756.db2.gz XQBBGGWXXRZRKR-CQSZACIVSA-N 2 0 325.884 2.470 10 10 EECERP CCOc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c(O)c1 ZINC000530249847 467968032 /nfs/dbraw/zinc/96/80/32/467968032.db2.gz ZCPVAVHKSBJFOM-SFHVURJKSA-N 2 0 334.460 2.381 10 10 EECERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(N2CCOCC2)c(F)c1 ZINC000924715094 693262448 /nfs/dbraw/zinc/26/24/48/693262448.db2.gz KFZPXZYIBMKRFU-MCPYQZEQSA-N 2 0 333.451 2.092 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC001691447573 1178837703 /nfs/dbraw/zinc/83/77/03/1178837703.db2.gz HIRDQHGLZQLTKV-WMZOPIPTSA-N 2 0 347.503 2.282 10 10 EECERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc(Cl)ccc1O ZINC000925859752 1206162425 /nfs/dbraw/zinc/16/24/25/1206162425.db2.gz XZZFAEYAJZHNIP-WCQYABFASA-N 2 0 338.835 2.382 10 10 EECERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(OC)c(C)c2)C1)[NH+](C)C ZINC001265544526 1323213356 /nfs/dbraw/zinc/21/33/56/1323213356.db2.gz KXSJFBIRYPMEOP-IXDOHACOSA-N 2 0 333.476 2.081 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C2CC[NH+](C)CC2)cc1C ZINC001317405600 1332216518 /nfs/dbraw/zinc/21/65/18/1332216518.db2.gz LNADNAZCOQQDLR-INIZCTEOSA-N 2 0 347.503 2.330 10 10 EECERP COc1ccc(C[NH2+]C2(CNC(=O)CCn3ccnc3)CC2)cc1C ZINC001499306075 1112227502 /nfs/dbraw/zinc/22/75/02/1112227502.db2.gz PDSXHTLAADHGHO-UHFFFAOYSA-N 2 0 342.443 2.029 10 10 EECERP Cc1cc(Cl)cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)c1O ZINC000289505786 464082427 /nfs/dbraw/zinc/08/24/27/464082427.db2.gz UDNTVTKGCOKNCJ-UHFFFAOYSA-N 2 0 325.884 2.423 10 10 EECERP Cc1cc(O)c(C[NH2+]CCCC[NH+]2CCN(C)CC2)c(Cl)c1 ZINC000840875930 679499748 /nfs/dbraw/zinc/49/97/48/679499748.db2.gz KZZMNRBKMOMUTO-UHFFFAOYSA-N 2 0 325.884 2.471 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CO[C@H](C)[C@@H]3C)cc2F)CC1 ZINC000924995457 682343269 /nfs/dbraw/zinc/34/32/69/682343269.db2.gz GKGARQNPXRVJLB-HDMKZQKVSA-N 2 0 335.467 2.481 10 10 EECERP COc1ccc(C[NH2+]CCN(C)C(=O)CC[NH+]2CCCCC2)cc1C ZINC001481319803 1181024656 /nfs/dbraw/zinc/02/46/56/1181024656.db2.gz OQLYELNWUSLXRK-UHFFFAOYSA-N 2 0 347.503 2.428 10 10 EECERP Cc1cc(C)c([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(O)c1 ZINC000925850730 1206160513 /nfs/dbraw/zinc/16/05/13/1206160513.db2.gz POINZNZMGUEVHD-LSDHHAIUSA-N 2 0 332.444 2.345 10 10 EECERP C[NH+]1CCN(c2ccc(CN[C@H]3CC[NH2+]C34CCCC4)cc2)CC1 ZINC000843129104 1315849640 /nfs/dbraw/zinc/84/96/40/1315849640.db2.gz REMGJTQYYNNLAT-IBGZPJMESA-N 2 0 328.504 2.203 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)cc1C ZINC001265782906 1323378745 /nfs/dbraw/zinc/37/87/45/1323378745.db2.gz DDXJYMNMTVYMEF-HNNXBMFYSA-N 2 0 333.476 2.082 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1C ZINC001669595664 1356180709 /nfs/dbraw/zinc/18/07/09/1356180709.db2.gz NZKWQGFUQINDKW-RDJZCZTQSA-N 2 0 333.476 2.082 10 10 EECERP C[C@@H]1CC[NH2+]C[C@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915909 785067374 /nfs/dbraw/zinc/06/73/74/785067374.db2.gz BIJWAKXZHUKSFG-DYESRHJHSA-N 2 0 342.531 2.306 10 10 EECERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccc(OC)c(C)c1 ZINC001567984050 1124216253 /nfs/dbraw/zinc/21/62/53/1124216253.db2.gz FKKDRRPUINCLOJ-ZWKOTPCHSA-N 2 0 347.503 2.330 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3cnc(C)nc3)cc2F)CC1 ZINC000730108268 576716484 /nfs/dbraw/zinc/71/64/84/576716484.db2.gz KFWFANULSAUSOJ-UHFFFAOYSA-N 2 0 343.450 2.356 10 10 EECERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Br)ccc1O ZINC000925809833 1206156563 /nfs/dbraw/zinc/15/65/63/1206156563.db2.gz AMLZBEVLDARIAM-NSHDSACASA-N 2 0 342.281 2.228 10 10 EECERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000925850479 1206160375 /nfs/dbraw/zinc/16/03/75/1206160375.db2.gz BEVWKFQSINJQOU-PBHICJAKSA-N 2 0 331.460 2.089 10 10 EECERP COc1ccc(C[NH2+][C@H](C)CCNC(=O)C2CC[NH+](C)CC2)cc1C ZINC001317405602 1332216320 /nfs/dbraw/zinc/21/63/20/1332216320.db2.gz LNADNAZCOQQDLR-MRXNPFEDSA-N 2 0 347.503 2.330 10 10 EECERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(OC)c(C)c1 ZINC001699761706 1405471127 /nfs/dbraw/zinc/47/11/27/1405471127.db2.gz IAOVBZKUAWPXGM-SFHVURJKSA-N 2 0 347.503 2.426 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1C ZINC001498053392 1106846478 /nfs/dbraw/zinc/84/64/78/1106846478.db2.gz LOHOUJMZMIWLPX-HNNXBMFYSA-N 2 0 333.476 2.082 10 10 EECERP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4c(cc3O)CCC4)CC2)C1 ZINC000738211889 578003907 /nfs/dbraw/zinc/00/39/07/578003907.db2.gz GJRYNIISLNSVSA-LJQANCHMSA-N 2 0 329.488 2.093 10 10 EECERP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(N3CC[NH+](C)CC3)cc2)CCN1C ZINC000775717898 577443633 /nfs/dbraw/zinc/44/36/33/577443633.db2.gz UGWHBBMBZTUQDE-XLIONFOSSA-N 2 0 330.520 2.353 10 10 EECERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000768669175 577560576 /nfs/dbraw/zinc/56/05/76/577560576.db2.gz DYEWMWOCIRTBPX-UWJYYQICSA-N 2 0 342.531 2.258 10 10 EECERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CN(C)C[C@@H]3C)cc2F)CC1 ZINC000756117887 577838701 /nfs/dbraw/zinc/83/87/01/577838701.db2.gz BGAGEBWUEUVPNY-YJBOKZPZSA-N 2 0 334.483 2.007 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1C ZINC001485001420 1191608174 /nfs/dbraw/zinc/60/81/74/1191608174.db2.gz KEKXGVOCZICIHP-FUHWJXTLSA-N 2 0 347.503 2.330 10 10 EECERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C)cc1O ZINC000925848436 1206160171 /nfs/dbraw/zinc/16/01/71/1206160171.db2.gz APFIEKQOLBAEIP-ZBFHGGJFSA-N 2 0 332.444 2.427 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)CC1 ZINC000841086514 1315471574 /nfs/dbraw/zinc/47/15/74/1315471574.db2.gz KFPIGQMVWPVTBI-PZJWPPBQSA-N 3 0 342.531 2.402 10 10 EECERP CN(C)c1ccc(/C=C\C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000843125477 1315849111 /nfs/dbraw/zinc/84/91/11/1315849111.db2.gz XJNSBLXIDAUGMT-DDKKJVIOSA-N 2 0 329.488 2.453 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001282186268 1325645943 /nfs/dbraw/zinc/64/59/43/1325645943.db2.gz SWXWVQIMZGQPLS-HOTGVXAUSA-N 2 0 347.503 2.328 10 10 EECERP COc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1C ZINC001498567878 1107735649 /nfs/dbraw/zinc/73/56/49/1107735649.db2.gz LMUJJWOLUUMPMC-GOSISDBHSA-N 2 0 347.503 2.426 10 10 EECERP COc1ccc(C[NH2+][C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]2C)cc1C ZINC001274296152 1204988077 /nfs/dbraw/zinc/98/80/77/1204988077.db2.gz AVHHBUMCPLHBCF-AEFFLSMTSA-N 2 0 347.503 2.280 10 10 EECERP CCN(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925856138 1206161689 /nfs/dbraw/zinc/16/16/89/1206161689.db2.gz WNLATYNAYINLCF-YJBOKZPZSA-N 2 0 345.487 2.479 10 10 EECERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(N(C)C)cc1 ZINC000925855905 1206161768 /nfs/dbraw/zinc/16/17/68/1206161768.db2.gz VOTWIEMNQXSOBH-MSOLQXFVSA-N 2 0 345.487 2.479 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)cc1C ZINC001283668352 1326192120 /nfs/dbraw/zinc/19/21/20/1326192120.db2.gz ZZWGSGRMVDUDKQ-INIZCTEOSA-N 2 0 347.503 2.282 10 10 EECERP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCC(CO)CC3)cc2)C12CCC2 ZINC000925500353 1206119868 /nfs/dbraw/zinc/11/98/68/1206119868.db2.gz DNTLNEAYWJUQNW-MOPGFXCFSA-N 2 0 329.488 2.255 10 10 EECERP Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c(O)c1C ZINC000925857605 1206162062 /nfs/dbraw/zinc/16/20/62/1206162062.db2.gz PVOGITDQZJSHMC-CABCVRRESA-N 2 0 332.444 2.345 10 10 EECERP COc1ccc(C[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C2CC2)cc1C ZINC001265380953 1323109305 /nfs/dbraw/zinc/10/93/05/1323109305.db2.gz XEMLJRVUZDDVMP-SFHVURJKSA-N 2 0 345.487 2.084 10 10 EECERP COc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cc1C ZINC001281880963 1325498639 /nfs/dbraw/zinc/49/86/39/1325498639.db2.gz CZIYLEUJRMVPRH-SFHVURJKSA-N 2 0 347.503 2.426 10 10 EECERP C[C@H]1CC[NH2+]C[C@H]1NCc1ccc(N2CC[NH+](CC3CC3)CC2)cc1 ZINC000817915916 785069057 /nfs/dbraw/zinc/06/90/57/785069057.db2.gz BIJWAKXZHUKSFG-LAUBAEHRSA-N 2 0 342.531 2.306 10 10 EECERP COc1cc(Br)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1O ZINC000841064036 693008599 /nfs/dbraw/zinc/00/85/99/693008599.db2.gz OIFXLTLHIAQEOI-SKDRFNHKSA-N 2 0 329.238 2.251 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C)cc1C ZINC001268056213 1181618370 /nfs/dbraw/zinc/61/83/70/1181618370.db2.gz RDIZNCGKDLKDMY-RDJZCZTQSA-N 2 0 333.476 2.034 10 10 EECERP COc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C23CC[NH+](CC2)C3)cc1C ZINC001268096129 1181738505 /nfs/dbraw/zinc/73/85/05/1181738505.db2.gz YVLQXXXHHPRZES-INIZCTEOSA-N 2 0 345.487 2.036 10 10 EECERP C[NH+]1CCN(c2ccc(C[N@@H+]3CCO[C@@H](C4CCC4)C3)cc2)CC1 ZINC000840953834 1315444591 /nfs/dbraw/zinc/44/45/91/1315444591.db2.gz BDFPBGDZFACGQT-HXUWFJFHSA-N 2 0 329.488 2.439 10 10 EECERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(OC)c(C)c2)C[C@@H]1C ZINC001571490951 1343219207 /nfs/dbraw/zinc/21/92/07/1343219207.db2.gz LDUZYNAOYLVMLZ-FUHWJXTLSA-N 2 0 347.503 2.424 10 10 EECERP COc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1C ZINC001674755216 1356889965 /nfs/dbraw/zinc/88/99/65/1356889965.db2.gz RKCSFLSLEVTVQZ-JKSUJKDBSA-N 2 0 345.487 2.082 10 10 EECERP