smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOc1ccc(CNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000217300872 241245032 /nfs/dbraw/zinc/24/50/32/241245032.db2.gz CQIWFKZATHRQLK-UHFFFAOYSA-N 1 0 333.476 3.194 20 70 EGIDRO Fc1cc(C[NH2+][C@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1-n1ccnc1 ZINC000159605278 206254310 /nfs/dbraw/zinc/25/43/10/206254310.db2.gz MXCYHHQRIIGLGA-JLSDUUJJSA-N 1 0 327.403 3.059 20 70 EGIDRO COCCC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000159664628 206257761 /nfs/dbraw/zinc/25/77/61/206257761.db2.gz AHCAMRZJOLNZGP-SFHVURJKSA-N 1 0 330.472 3.147 20 70 EGIDRO COc1ccc([C@H](C)[C@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000159708113 206259225 /nfs/dbraw/zinc/25/92/25/206259225.db2.gz FCDMPKWILBSIEK-VBHSOAQHSA-N 1 0 330.403 3.143 20 70 EGIDRO COc1cccc([C@@H](CNC(=O)C2=C(C)OCCC2)[NH+]2CCCC2)c1 ZINC000159465038 206247476 /nfs/dbraw/zinc/24/74/76/206247476.db2.gz XGZMYUYLPAMLBZ-LJQANCHMSA-N 1 0 344.455 3.033 20 70 EGIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H](O)c1ccccc1 ZINC000159785446 206263934 /nfs/dbraw/zinc/26/39/34/206263934.db2.gz HBCPLDZCAIMDSK-LJQANCHMSA-N 1 0 342.439 3.079 20 70 EGIDRO COCOc1ccc(OC)cc1C[N@H+](C)Cc1ccc(OC)cc1 ZINC000159866607 206266616 /nfs/dbraw/zinc/26/66/16/206266616.db2.gz DYNRWSYPNIYGIC-UHFFFAOYSA-N 1 0 331.412 3.319 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2c(F)cccc2Cl)CC1 ZINC000159943421 206271684 /nfs/dbraw/zinc/27/16/84/206271684.db2.gz HQQKDCWCUFZLJH-LBPRGKRZSA-N 1 0 327.831 3.277 20 70 EGIDRO Cc1nc(CSc2ccc(C(=O)NCC(C)(C)[NH3+])cc2)cs1 ZINC000160009957 206274793 /nfs/dbraw/zinc/27/47/93/206274793.db2.gz SGHZKKYCUIYUJO-UHFFFAOYSA-N 1 0 335.498 3.211 20 70 EGIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000160155412 206281944 /nfs/dbraw/zinc/28/19/44/206281944.db2.gz GMWZTUMGTFRFEZ-CQSZACIVSA-N 1 0 339.439 3.246 20 70 EGIDRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000160222246 206285272 /nfs/dbraw/zinc/28/52/72/206285272.db2.gz IGIDVSLUDKJGOG-SECBINFHSA-N 1 0 340.210 3.130 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(Br)s1)CC2 ZINC000160368176 206292904 /nfs/dbraw/zinc/29/29/04/206292904.db2.gz ZSKAKCBESKRMCZ-WCBMZHEXSA-N 1 0 341.278 3.076 20 70 EGIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1OC(F)F ZINC000160497324 206299966 /nfs/dbraw/zinc/29/99/66/206299966.db2.gz ZQBXWHHHJKRDBV-TZMCWYRMSA-N 1 0 336.386 3.244 20 70 EGIDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cn1 ZINC000160495861 206300997 /nfs/dbraw/zinc/30/09/97/206300997.db2.gz KZYLCYFEIYEEDP-QGZVFWFLSA-N 1 0 342.487 3.147 20 70 EGIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(OC(F)F)cc1 ZINC000160522853 206301509 /nfs/dbraw/zinc/30/15/09/206301509.db2.gz QKFNNKSIQWBWRE-HIFRSBDPSA-N 1 0 336.386 3.244 20 70 EGIDRO CC[NH+](CC)CCNC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000160844534 206315158 /nfs/dbraw/zinc/31/51/58/206315158.db2.gz WEXGKYTYBVIAOH-AWEZNQCLSA-N 1 0 330.432 3.044 20 70 EGIDRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160941486 206320119 /nfs/dbraw/zinc/32/01/19/206320119.db2.gz AQRABQXAQRXVBU-IAGOWNOFSA-N 1 0 328.481 3.456 20 70 EGIDRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000160941878 206320295 /nfs/dbraw/zinc/32/02/95/206320295.db2.gz AQRABQXAQRXVBU-IRXDYDNUSA-N 1 0 328.481 3.456 20 70 EGIDRO Cc1nnc([C@H](C)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000161186221 206334987 /nfs/dbraw/zinc/33/49/87/206334987.db2.gz MKXHPUPUUURNQC-AWEZNQCLSA-N 1 0 343.475 3.329 20 70 EGIDRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H]2CCOC(C)(C)C2)cc1 ZINC000161217135 206335592 /nfs/dbraw/zinc/33/55/92/206335592.db2.gz AUENMHUNSBCTNN-GOSISDBHSA-N 1 0 347.503 3.285 20 70 EGIDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000161302978 206340162 /nfs/dbraw/zinc/34/01/62/206340162.db2.gz MXKYAAPXKHGWPR-KDOFPFPSSA-N 1 0 345.439 3.405 20 70 EGIDRO COc1cccc([C@@H](O)C[NH2+][C@H]2CSCCc3ccccc32)c1 ZINC000161354065 206343021 /nfs/dbraw/zinc/34/30/21/206343021.db2.gz TYWYIPBCXLVDOU-OALUTQOASA-N 1 0 329.465 3.349 20 70 EGIDRO CC(=O)NC1CCC([NH2+]C[C@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000161509606 206353008 /nfs/dbraw/zinc/35/30/08/206353008.db2.gz UIORZXRKFZDTJF-ACBHZAAOSA-N 1 0 332.488 3.054 20 70 EGIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCCc1cccc(F)c1 ZINC000159776639 307879736 /nfs/dbraw/zinc/87/97/36/307879736.db2.gz JIICMJFKEABKID-GFCCVEGCSA-N 1 0 340.240 3.396 20 70 EGIDRO CCOc1ccc(Cl)cc1CC[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000160008058 307883448 /nfs/dbraw/zinc/88/34/48/307883448.db2.gz OUWIZLHDSMIING-QGZVFWFLSA-N 1 0 332.831 3.097 20 70 EGIDRO CN(C)[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000160395042 307888998 /nfs/dbraw/zinc/88/89/98/307888998.db2.gz WUAPXCSCCLQQHL-MRXNPFEDSA-N 1 0 335.458 3.113 20 70 EGIDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000159513817 455382305 /nfs/dbraw/zinc/38/23/05/455382305.db2.gz RPEOUYPFKVQDDM-INIZCTEOSA-N 1 0 330.472 3.470 20 70 EGIDRO O=C([C@H]1CCCC[C@@H]1C(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159832258 455407795 /nfs/dbraw/zinc/40/77/95/455407795.db2.gz NXKXPFQIDRVNDJ-GJZGRUSLSA-N 1 0 332.410 3.346 20 70 EGIDRO Cn1cnc2cc(C(=O)Nc3cccc(Oc4ccncc4)c3)cnc21 ZINC000159834454 455407892 /nfs/dbraw/zinc/40/78/92/455407892.db2.gz QSDLBJKOFXIUIF-UHFFFAOYSA-N 1 0 345.362 3.408 20 70 EGIDRO CCCCn1ncc(NC(=O)N[C@H]2CC[N@H+](CC3CCCC3)C2)c1C ZINC000159944904 455417701 /nfs/dbraw/zinc/41/77/01/455417701.db2.gz YBVNJLPCIRXNAL-KRWDZBQOSA-N 1 0 347.507 3.378 20 70 EGIDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@@H]3C)CC2)c(OC)c1 ZINC000159981621 455420178 /nfs/dbraw/zinc/42/01/78/455420178.db2.gz DBKTZCRBKZGORA-KBXCAEBGSA-N 1 0 346.471 3.087 20 70 EGIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)C(=O)OC(C)(C)C ZINC000160071611 455426492 /nfs/dbraw/zinc/42/64/92/455426492.db2.gz BZNJAZSAQJQJPX-INIZCTEOSA-N 1 0 347.503 3.350 20 70 EGIDRO CO[C@@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2F)CCOC1 ZINC000160099633 455428297 /nfs/dbraw/zinc/42/82/97/455428297.db2.gz NDOURGIMXJTTGG-IINYFYTJSA-N 1 0 332.213 3.044 20 70 EGIDRO COc1ccc(CCCN(C)C(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000160826789 455502679 /nfs/dbraw/zinc/50/26/79/455502679.db2.gz PMESTMGGNUDNGD-UHFFFAOYSA-N 1 0 340.467 3.462 20 70 EGIDRO COc1ccccc1C[C@H](NC(=O)N(CC[NH+](C)C)C(C)C)C(C)C ZINC000159410002 455375007 /nfs/dbraw/zinc/37/50/07/455375007.db2.gz MUSVGIBQFWGKMB-SFHVURJKSA-N 1 0 349.519 3.244 20 70 EGIDRO CC[C@H]([NH2+]CCN(C)CCOC)c1ccccc1Br ZINC000159432444 455376628 /nfs/dbraw/zinc/37/66/28/455376628.db2.gz VBEWPLLDWCAJOW-HNNXBMFYSA-N 1 0 329.282 3.068 20 70 EGIDRO C[N@H+](CCCNC(=O)CCCc1nc(C2CC2)no1)C1CCCCC1 ZINC000159442367 455377350 /nfs/dbraw/zinc/37/73/50/455377350.db2.gz GKZHMVNXYABHME-UHFFFAOYSA-N 1 0 348.491 3.041 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+]CCc2cc(C)cc(C)c2)c1 ZINC000159486295 455380600 /nfs/dbraw/zinc/38/06/00/455380600.db2.gz GWMNGKMSYSCRIN-MRXNPFEDSA-N 1 0 346.496 3.105 20 70 EGIDRO CCCCOc1ccc(CCNC(=O)N2CCC[N@H+](CC)CC2)cc1 ZINC000159606420 455388190 /nfs/dbraw/zinc/38/81/90/455388190.db2.gz VPXZCVOKXSEVSW-UHFFFAOYSA-N 1 0 347.503 3.145 20 70 EGIDRO O=C(NC[C@@H]1CCc2ccccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000159598091 455388505 /nfs/dbraw/zinc/38/85/05/455388505.db2.gz QMGBBXCHPFQSCP-RBUKOAKNSA-N 1 0 341.499 3.376 20 70 EGIDRO COc1ccc(CN(C)C(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1F ZINC000159625579 455390082 /nfs/dbraw/zinc/39/00/82/455390082.db2.gz AXWDCNXQPGHIQV-RDJZCZTQSA-N 1 0 334.435 3.057 20 70 EGIDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159687004 455395575 /nfs/dbraw/zinc/39/55/75/455395575.db2.gz MSYGMNYNZDQKIO-VBNZEHGJSA-N 1 0 340.389 3.237 20 70 EGIDRO C[C@]1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CCCc2ccccc21 ZINC000159744039 455399461 /nfs/dbraw/zinc/39/94/61/455399461.db2.gz DXDPGXIVBSKLPJ-NRFANRHFSA-N 1 0 326.484 3.271 20 70 EGIDRO Cc1nc(CC(C)C)c(C(=O)N2CCC([NH2+]CC3CC3)CC2)s1 ZINC000159883819 455412350 /nfs/dbraw/zinc/41/23/50/455412350.db2.gz XKRDMCAGAWNSQU-UHFFFAOYSA-N 1 0 335.517 3.254 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)n1 ZINC000159905215 455414354 /nfs/dbraw/zinc/41/43/54/455414354.db2.gz SZILBSFRPOYHBQ-UHFFFAOYSA-N 1 0 347.507 3.411 20 70 EGIDRO Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000159911906 455414701 /nfs/dbraw/zinc/41/47/01/455414701.db2.gz UQPKCHYSSBFDJT-HNNXBMFYSA-N 1 0 326.444 3.385 20 70 EGIDRO Cc1ccc(C[N@@H+](C)Cc2ccccc2OCC(=O)N(C)C)cc1 ZINC000160637897 455482716 /nfs/dbraw/zinc/48/27/16/455482716.db2.gz KHPPABYAHSRNIP-UHFFFAOYSA-N 1 0 326.440 3.094 20 70 EGIDRO C[NH+](C)[C@@H](CNC(=O)NC1(c2cccc(F)c2)CC1)c1ccccc1 ZINC000160880797 455508556 /nfs/dbraw/zinc/50/85/56/455508556.db2.gz JNUILOPXXAPRMF-SFHVURJKSA-N 1 0 341.430 3.417 20 70 EGIDRO C[C@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1n1ccnc1 ZINC000160886222 455509711 /nfs/dbraw/zinc/50/97/11/455509711.db2.gz KOMRUEKRMYBQJX-WMZOPIPTSA-N 1 0 346.519 3.051 20 70 EGIDRO CC[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1F ZINC000160909024 455512327 /nfs/dbraw/zinc/51/23/27/455512327.db2.gz JSFVBOCMUSQGKH-OLZOCXBDSA-N 1 0 336.304 3.169 20 70 EGIDRO COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](CCO)c1ccccc1 ZINC000160967528 455519490 /nfs/dbraw/zinc/51/94/90/455519490.db2.gz PWNYBDOGDZRQOW-WOJBJXKFSA-N 1 0 331.431 3.487 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)CCC(=O)c2ccc(C)c(C)c2)CC1 ZINC000161063679 455528927 /nfs/dbraw/zinc/52/89/27/455528927.db2.gz MKNKEQTUXSPFRO-UHFFFAOYSA-N 1 0 330.472 3.114 20 70 EGIDRO CC(C)Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161098478 455532802 /nfs/dbraw/zinc/53/28/02/455532802.db2.gz MLHSYFGKBXXFJN-QZTJIDSGSA-N 1 0 330.472 3.234 20 70 EGIDRO CC(C)c1ccc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000161101641 455534218 /nfs/dbraw/zinc/53/42/18/455534218.db2.gz PHIXXCWOEPNHPB-GOSISDBHSA-N 1 0 329.419 3.377 20 70 EGIDRO CC[C@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(F)cc1F ZINC000161208599 455548201 /nfs/dbraw/zinc/54/82/01/455548201.db2.gz RUASNNDHOLVGJO-ROUUACIJSA-N 1 0 330.378 3.247 20 70 EGIDRO CCn1ccnc1CN(C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000161230786 455550449 /nfs/dbraw/zinc/55/04/49/455550449.db2.gz LFLDGDCXVAPHNT-UHFFFAOYSA-N 1 0 341.434 3.497 20 70 EGIDRO Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)CCCO2 ZINC000161269071 455554224 /nfs/dbraw/zinc/55/42/24/455554224.db2.gz CKBJBXPTCMXKPR-GXTWGEPZSA-N 1 0 332.341 3.266 20 70 EGIDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OC1CCCC1 ZINC000161303842 455557285 /nfs/dbraw/zinc/55/72/85/455557285.db2.gz FYFAHCVWUIVAMF-HUUCEWRRSA-N 1 0 332.444 3.016 20 70 EGIDRO C[C@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000161309856 455558368 /nfs/dbraw/zinc/55/83/68/455558368.db2.gz DNSOTWZEZLKDGQ-NEPJUHHUSA-N 1 0 339.277 3.152 20 70 EGIDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@@H](C)C(=O)N1CCC(C)CC1 ZINC000161464488 455572705 /nfs/dbraw/zinc/57/27/05/455572705.db2.gz YZFDRMIOVREPIV-INIZCTEOSA-N 1 0 348.487 3.173 20 70 EGIDRO COc1ccc(Br)cc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217664401 456033674 /nfs/dbraw/zinc/03/36/74/456033674.db2.gz PHXKKBYAGILBDN-GJZGRUSLSA-N 1 0 339.277 3.174 20 70 EGIDRO COC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)C1CC1 ZINC000159596670 546939116 /nfs/dbraw/zinc/93/91/16/546939116.db2.gz QKXVPWVINRGXNW-PMACEKPBSA-N 1 0 338.451 3.251 20 70 EGIDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(Br)cc1O ZINC000160526473 546947687 /nfs/dbraw/zinc/94/76/87/546947687.db2.gz BBFUWCDWZAAVPQ-LLVKDONJSA-N 1 0 344.249 3.211 20 70 EGIDRO Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000161468257 546955837 /nfs/dbraw/zinc/95/58/37/546955837.db2.gz MHGBHTKCCIFVIY-SFHVURJKSA-N 1 0 338.455 3.076 20 70 EGIDRO CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000216717849 574770433 /nfs/dbraw/zinc/77/04/33/574770433.db2.gz NXLBBYLWVNPSBP-RDJZCZTQSA-N 1 0 346.471 3.417 20 70 EGIDRO O=C(CSCC(=O)c1ccccc1)NCC[NH2+]C1CCCCCC1 ZINC000159638946 206255826 /nfs/dbraw/zinc/25/58/26/206255826.db2.gz XKNBHUVPEFFXSN-UHFFFAOYSA-N 1 0 348.512 3.031 20 70 EGIDRO COc1ccc([C@H](CO)[N@H+](C)CCC(=O)c2ccc(C)cc2)cc1 ZINC000159666894 206258140 /nfs/dbraw/zinc/25/81/40/206258140.db2.gz RGRJYAWOXDFJPN-IBGZPJMESA-N 1 0 327.424 3.242 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)NCCCc2ccccc2)CC1 ZINC000159688362 206258649 /nfs/dbraw/zinc/25/86/49/206258649.db2.gz BUOMGQIURYWDAB-UHFFFAOYSA-N 1 0 331.504 3.383 20 70 EGIDRO CC1(C(=O)Nc2ccc(F)nc2)CC[NH+](Cc2ccccc2)CC1 ZINC000159454909 206247256 /nfs/dbraw/zinc/24/72/56/206247256.db2.gz JVXLYAJVFOJSKT-UHFFFAOYSA-N 1 0 327.403 3.462 20 70 EGIDRO CC[C@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC000159456390 206247679 /nfs/dbraw/zinc/24/76/79/206247679.db2.gz HWUNQWMTNFOPBS-NXHRZFHOSA-N 1 0 330.472 3.274 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCc2oc3ccc(F)cc3c2C)CC1 ZINC000159757077 206262499 /nfs/dbraw/zinc/26/24/99/206262499.db2.gz BXCKMDOUWVLGJJ-UHFFFAOYSA-N 1 0 333.407 3.118 20 70 EGIDRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159809293 206263987 /nfs/dbraw/zinc/26/39/87/206263987.db2.gz DLNJBUXJBDBVHF-SJLPKXTDSA-N 1 0 328.843 3.226 20 70 EGIDRO CCOc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OCC(C)C ZINC000159839982 206267167 /nfs/dbraw/zinc/26/71/67/206267167.db2.gz RFZRLUQLSKARBP-UHFFFAOYSA-N 1 0 348.487 3.208 20 70 EGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000160042487 206276242 /nfs/dbraw/zinc/27/62/42/206276242.db2.gz STFTWQMIKRCAMN-AWEZNQCLSA-N 1 0 348.468 3.123 20 70 EGIDRO COCCC1(CNC(=O)NC[C@@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000160067853 206278402 /nfs/dbraw/zinc/27/84/02/206278402.db2.gz RZJHAXNTZZTVTI-QGZVFWFLSA-N 1 0 347.503 3.013 20 70 EGIDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)N1CCC2(CCC2)C1 ZINC000160291559 206287772 /nfs/dbraw/zinc/28/77/72/206287772.db2.gz WHHKVCSUBSUYMD-UHFFFAOYSA-N 1 0 327.472 3.020 20 70 EGIDRO Cc1ccccc1NC(=O)CC[NH+]1CCN(c2cccs2)CC1 ZINC000160306084 206289616 /nfs/dbraw/zinc/28/96/16/206289616.db2.gz FRQOEIMKSQBLJI-UHFFFAOYSA-N 1 0 329.469 3.207 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c2ccccc12 ZINC000160383903 206294438 /nfs/dbraw/zinc/29/44/38/206294438.db2.gz YHEKAVHWBZBMOB-HIFRSBDPSA-N 1 0 336.439 3.414 20 70 EGIDRO Fc1ccc2c(c1)CC[C@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160421434 206296560 /nfs/dbraw/zinc/29/65/60/206296560.db2.gz HKHVIMLTXYGOEP-OAQYLSRUSA-N 1 0 340.442 3.435 20 70 EGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000160503419 206300976 /nfs/dbraw/zinc/30/09/76/206300976.db2.gz CZVXMFJHPFJOIS-HNNXBMFYSA-N 1 0 339.361 3.485 20 70 EGIDRO O[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000160510842 206302017 /nfs/dbraw/zinc/30/20/17/206302017.db2.gz NZCWISDTRMLPIX-BEFAXECRSA-N 1 0 336.907 3.445 20 70 EGIDRO CCOCCC1(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCC1 ZINC000160714964 206310302 /nfs/dbraw/zinc/31/03/02/206310302.db2.gz BJIHLSCPFKCYAN-QGZVFWFLSA-N 1 0 336.451 3.142 20 70 EGIDRO c1cc(C[NH+]2CCSCC2)cc(NC2CCC3(CC2)OCCO3)c1 ZINC000161159623 206331930 /nfs/dbraw/zinc/33/19/30/206331930.db2.gz MIKJUJWVMCZJEC-UHFFFAOYSA-N 1 0 348.512 3.333 20 70 EGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000161168349 206332784 /nfs/dbraw/zinc/33/27/84/206332784.db2.gz SIRSUHWXEPJMCS-MAUKXSAKSA-N 1 0 331.460 3.168 20 70 EGIDRO C[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(NC(=O)C2CC2)cc1 ZINC000161253183 206337533 /nfs/dbraw/zinc/33/75/33/206337533.db2.gz LTZCVERBZKKNMN-CQSZACIVSA-N 1 0 344.455 3.371 20 70 EGIDRO Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C2CC[NH2+]CC2)cc1 ZINC000161295739 206340177 /nfs/dbraw/zinc/34/01/77/206340177.db2.gz HXDANVNYVPTMMU-UHFFFAOYSA-N 1 0 326.444 3.242 20 70 EGIDRO COc1cccc([C@H](O)C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)c1 ZINC000161301000 206340404 /nfs/dbraw/zinc/34/04/04/206340404.db2.gz JGNRBZKRUYYNFT-RTBURBONSA-N 1 0 343.423 3.241 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCOc2cccc3ccccc32)CC1 ZINC000161318399 206340790 /nfs/dbraw/zinc/34/07/90/206340790.db2.gz IQTYKLDXOXWTLZ-UHFFFAOYSA-N 1 0 326.440 3.256 20 70 EGIDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161333077 206342249 /nfs/dbraw/zinc/34/22/49/206342249.db2.gz RIKDIRKKUNPBPJ-OAHLLOKOSA-N 1 0 346.471 3.447 20 70 EGIDRO C[C@@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)CC[C@H]1[NH3+] ZINC000159654378 140943763 /nfs/dbraw/zinc/94/37/63/140943763.db2.gz QGOCNDOSMDHMNK-BDJLRTHQSA-N 1 0 347.256 3.412 20 70 EGIDRO O=C([C@@H]1CCCC[C@H]1C(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159832126 140948046 /nfs/dbraw/zinc/94/80/46/140948046.db2.gz NXKXPFQIDRVNDJ-HUUCEWRRSA-N 1 0 332.410 3.346 20 70 EGIDRO COc1ccc(CCC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000161320371 140971284 /nfs/dbraw/zinc/97/12/84/140971284.db2.gz GIGGPQFBEKDKKH-NRFANRHFSA-N 1 0 344.499 3.256 20 70 EGIDRO C[C@@H]1CCC[C@](CNC(=O)c2c(F)cc(F)cc2F)([NH+](C)C)C1 ZINC000161415241 140972488 /nfs/dbraw/zinc/97/24/88/140972488.db2.gz UENUZYACYMDDLX-DIFFPNOSSA-N 1 0 328.378 3.344 20 70 EGIDRO c1ccc([C@H](CN2CCCC2)[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161204106 296618582 /nfs/dbraw/zinc/61/85/82/296618582.db2.gz UFSYKMPPEVQDQE-IBGZPJMESA-N 1 0 330.472 3.099 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000160579934 264880213 /nfs/dbraw/zinc/88/02/13/264880213.db2.gz SAZAXEPKACCXPY-OAHLLOKOSA-N 1 0 334.489 3.338 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000161327144 273964540 /nfs/dbraw/zinc/96/45/40/273964540.db2.gz TXKYDXXWXMFTPB-AWEZNQCLSA-N 1 0 335.407 3.319 20 70 EGIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc(Br)c1 ZINC000160525392 276590334 /nfs/dbraw/zinc/59/03/34/276590334.db2.gz DYXFNNPCFWUKSI-CABCVRRESA-N 1 0 349.276 3.405 20 70 EGIDRO Cn1c(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2cc(Cl)ccc21 ZINC000159614649 307876634 /nfs/dbraw/zinc/87/66/34/307876634.db2.gz HIFIPBJHASXOTA-VUCTXSBTSA-N 1 0 331.847 3.274 20 70 EGIDRO O=C(NCC1(Sc2ccccc2)CC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159703528 307878186 /nfs/dbraw/zinc/87/81/86/307878186.db2.gz ATEGQZCWPNGTSP-SFHVURJKSA-N 1 0 338.476 3.142 20 70 EGIDRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccco1 ZINC000160446562 307889972 /nfs/dbraw/zinc/88/99/72/307889972.db2.gz HVRVFEDKPVNOEB-KFWWJZLASA-N 1 0 338.448 3.081 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000161095748 455532974 /nfs/dbraw/zinc/53/29/74/455532974.db2.gz JZHLCFZHLCVNII-QWRGUYRKSA-N 1 0 331.243 3.148 20 70 EGIDRO [NH3+]C1(CNC(=O)c2c[nH]nc2-c2cccc(Cl)c2)CCCCC1 ZINC000159645168 455392450 /nfs/dbraw/zinc/39/24/50/455392450.db2.gz DHBUXPIPUIQRFM-UHFFFAOYSA-N 1 0 332.835 3.122 20 70 EGIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000159654094 455393706 /nfs/dbraw/zinc/39/37/06/455393706.db2.gz DDMQXHJTZXPBFZ-KRWDZBQOSA-N 1 0 344.499 3.442 20 70 EGIDRO Cc1[nH]nc(C(C)C)c1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159940967 455417773 /nfs/dbraw/zinc/41/77/73/455417773.db2.gz MZIDESGKNRRLHV-QGZVFWFLSA-N 1 0 340.471 3.236 20 70 EGIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC(=O)C[C@H]1C ZINC000160048174 455423960 /nfs/dbraw/zinc/42/39/60/455423960.db2.gz BTMMONWUBSHBQM-DNVCBOLYSA-N 1 0 330.472 3.148 20 70 EGIDRO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@H](C)CN2CCOCC2)nc1 ZINC000160099806 455428437 /nfs/dbraw/zinc/42/84/37/455428437.db2.gz SWQWELWDYIOCTH-LJQANCHMSA-N 1 0 339.483 3.113 20 70 EGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000160182784 455435174 /nfs/dbraw/zinc/43/51/74/455435174.db2.gz YCOOZOQMQLDDJV-KOLCDFICSA-N 1 0 336.270 3.353 20 70 EGIDRO COc1cccc(CCC[N@@H+]2CCC[C@H](CNC(=O)C(C)C)C2)c1 ZINC000160214289 455438454 /nfs/dbraw/zinc/43/84/54/455438454.db2.gz GTTJTXDKXCZYJW-GOSISDBHSA-N 1 0 332.488 3.112 20 70 EGIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]([C@@H](C)C3CC3)C3CC3)c2c1 ZINC000160578003 455476865 /nfs/dbraw/zinc/47/68/65/455476865.db2.gz HXUFTAGCNDDTKE-LBPRGKRZSA-N 1 0 340.423 3.400 20 70 EGIDRO COc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1OC(F)F ZINC000159562952 455385501 /nfs/dbraw/zinc/38/55/01/455385501.db2.gz OUHRSBTYCFZNKH-WQVCFCJDSA-N 1 0 339.382 3.344 20 70 EGIDRO CCCCOc1cccc(CNC(=O)N2CCC[N@H+](CC)CC2)c1 ZINC000159605488 455388348 /nfs/dbraw/zinc/38/83/48/455388348.db2.gz VNJCHDPKXHWOPO-UHFFFAOYSA-N 1 0 333.476 3.103 20 70 EGIDRO C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)c2ccccc2F)cc1 ZINC000159642570 455392168 /nfs/dbraw/zinc/39/21/68/455392168.db2.gz CKLDNYUPEHUUDA-UHFFFAOYSA-N 1 0 328.431 3.481 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCC2(Sc3ccccc3)CC2)CC1 ZINC000159843076 455409401 /nfs/dbraw/zinc/40/94/01/455409401.db2.gz IIOJIXWAJHSUOT-UHFFFAOYSA-N 1 0 333.501 3.049 20 70 EGIDRO Cc1c(Cl)cccc1OCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159863947 455410754 /nfs/dbraw/zinc/41/07/54/455410754.db2.gz QHKBHCBUUSSPCY-UHFFFAOYSA-N 1 0 336.863 3.018 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1C ZINC000160109153 455429545 /nfs/dbraw/zinc/42/95/45/455429545.db2.gz SXZIDICXUWRDAF-INIZCTEOSA-N 1 0 335.496 3.091 20 70 EGIDRO CC[C@H](C)[N@H+](C)CCN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000160115499 455429789 /nfs/dbraw/zinc/42/97/89/455429789.db2.gz RKGCMBPNZZZODZ-KBPBESRZSA-N 1 0 333.455 3.096 20 70 EGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000160223708 455439791 /nfs/dbraw/zinc/43/97/91/455439791.db2.gz HYUIIQUQMJKKMJ-KOLCDFICSA-N 1 0 336.270 3.353 20 70 EGIDRO CC(C)(C)C(=O)N1CCC(CN2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000160292931 455444979 /nfs/dbraw/zinc/44/49/79/455444979.db2.gz NKSDDPUGIUKXCO-UHFFFAOYSA-N 1 0 349.563 3.221 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000160412692 455456213 /nfs/dbraw/zinc/45/62/13/455456213.db2.gz UWUIDXCCKWOSHP-INIZCTEOSA-N 1 0 335.496 3.267 20 70 EGIDRO C[N@H+](CCCCCO)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160450531 455460238 /nfs/dbraw/zinc/46/02/38/455460238.db2.gz RFKUJSCUNLGMPL-XYPWUTKMSA-N 1 0 326.481 3.011 20 70 EGIDRO CC[N@@H+]1CC[C@H](NCc2ccc(N3CCC(C)CC3)nc2)[C@H](C)C1 ZINC000160478698 455464489 /nfs/dbraw/zinc/46/44/89/455464489.db2.gz NVPVXKHDXXWWHP-MJGOQNOKSA-N 1 0 330.520 3.138 20 70 EGIDRO C[C@@H]1C[N@@H+](C[C@@H]2CCCN2c2nc3cc(F)ccc3o2)C[C@H](C)O1 ZINC000160501464 455466939 /nfs/dbraw/zinc/46/69/39/455466939.db2.gz OPOFZSJTPDFUMU-GUTXKFCHSA-N 1 0 333.407 3.045 20 70 EGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccc(C(=O)OC)c1 ZINC000160537226 455471581 /nfs/dbraw/zinc/47/15/81/455471581.db2.gz RGSLHZLWVAPJJJ-UHFFFAOYSA-N 1 0 335.448 3.059 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)F ZINC000160540853 455471667 /nfs/dbraw/zinc/47/16/67/455471667.db2.gz LNBYOMRKPBGFAO-STQMWFEESA-N 1 0 326.387 3.025 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000160569523 455475192 /nfs/dbraw/zinc/47/51/92/455475192.db2.gz TWENIPGKRWTKNL-AWEZNQCLSA-N 1 0 346.862 3.083 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000160579831 455476251 /nfs/dbraw/zinc/47/62/51/455476251.db2.gz SAZAXEPKACCXPY-HNNXBMFYSA-N 1 0 334.489 3.338 20 70 EGIDRO Cc1cccc2c(CCC(=O)NCC[N@H+]3CCC[C@@H](C)C3)c[nH]c21 ZINC000160586835 455477629 /nfs/dbraw/zinc/47/76/29/455477629.db2.gz HVWPQLSTKPKWAW-OAHLLOKOSA-N 1 0 327.472 3.257 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc1 ZINC000160623639 455481114 /nfs/dbraw/zinc/48/11/14/455481114.db2.gz OGTMPWGRSMBBIQ-QGZVFWFLSA-N 1 0 340.467 3.378 20 70 EGIDRO C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160796546 455500365 /nfs/dbraw/zinc/50/03/65/455500365.db2.gz ZXIZNAKBRFUWEP-GOEBONIOSA-N 1 0 331.460 3.112 20 70 EGIDRO CCN(C(=O)NC[C@@H](C)SC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160902465 455510355 /nfs/dbraw/zinc/51/03/55/455510355.db2.gz WKKVNCLSZNEDLX-NVXWUHKLSA-N 1 0 335.517 3.044 20 70 EGIDRO Cc1cc(C)c(C(=O)N(C)c2ccc(OCC[NH+]3CCCC3)cc2)[nH]1 ZINC000160927985 455514987 /nfs/dbraw/zinc/51/49/87/455514987.db2.gz DCDDTJLCWPVTLV-UHFFFAOYSA-N 1 0 341.455 3.383 20 70 EGIDRO CC(C)(CNC(=O)N1CCN(Cc2ccccn2)CC1)C1CCCC1 ZINC000160937876 455515819 /nfs/dbraw/zinc/51/58/19/455515819.db2.gz PMFXJTGSYLGGNE-UHFFFAOYSA-N 1 0 344.503 3.125 20 70 EGIDRO [NH3+]CCOc1ccc(NC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000160966768 455518999 /nfs/dbraw/zinc/51/89/99/455518999.db2.gz XIRNAOUPHAQNAR-NWDGAFQWSA-N 1 0 330.350 3.331 20 70 EGIDRO CC(C)[C@H](NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000160982174 455520380 /nfs/dbraw/zinc/52/03/80/455520380.db2.gz IYFGMBJNPDELQR-HLAWJBBLSA-N 1 0 344.499 3.127 20 70 EGIDRO CCC[N@H+](CCCS(=O)(=O)C(C)C)[C@H]1CCc2ccccc2C1 ZINC000160988061 455521507 /nfs/dbraw/zinc/52/15/07/455521507.db2.gz AVQSRXTXLIQFQK-IBGZPJMESA-N 1 0 337.529 3.469 20 70 EGIDRO COCCOc1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1F ZINC000161005179 455523015 /nfs/dbraw/zinc/52/30/15/455523015.db2.gz RNGQPRHIRPYTKI-UHFFFAOYSA-N 1 0 346.402 3.165 20 70 EGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)COc2cc(C)ccc2F)c1 ZINC000161173386 455544238 /nfs/dbraw/zinc/54/42/38/455544238.db2.gz DGBMJDNQFNFRNA-UHFFFAOYSA-N 1 0 344.430 3.281 20 70 EGIDRO CCC[N@H+](CCO)Cc1ccc(OC)c(OCc2ccccc2)c1 ZINC000161192640 455546484 /nfs/dbraw/zinc/54/64/84/455546484.db2.gz DVCAJNDHKAUIKC-UHFFFAOYSA-N 1 0 329.440 3.479 20 70 EGIDRO CCC[C@@H]1CN(C(=O)Nc2ccc(F)c(C)c2)CC[N@@H+]1CCOC ZINC000161251450 455551952 /nfs/dbraw/zinc/55/19/52/455551952.db2.gz OFKKMRQEOPYWNT-MRXNPFEDSA-N 1 0 337.439 3.099 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc(-c3ccc(Cl)s3)on2)C1 ZINC000161311423 455557926 /nfs/dbraw/zinc/55/79/26/455557926.db2.gz YUEJQAMLZGXOLA-BDAKNGLRSA-N 1 0 325.821 3.056 20 70 EGIDRO Cc1ccccc1OCC[NH2+]C1CCN(Cc2cccnc2)CC1 ZINC000161362749 455562953 /nfs/dbraw/zinc/56/29/53/455562953.db2.gz IXJKEAWIJUZZAF-UHFFFAOYSA-N 1 0 325.456 3.023 20 70 EGIDRO c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161394285 455565686 /nfs/dbraw/zinc/56/56/86/455565686.db2.gz XJROESDGOHZODA-KRWDZBQOSA-N 1 0 333.439 3.152 20 70 EGIDRO C[C@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)[NH+]1CCC(C)CC1 ZINC000161406971 455567906 /nfs/dbraw/zinc/56/79/06/455567906.db2.gz MRMFGCUBHJWGPL-CQSZACIVSA-N 1 0 331.435 3.086 20 70 EGIDRO Cc1ccc(-c2nc(CC(=O)N[C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000161432442 455570171 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346.471 3.039 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000161145058 206331108 /nfs/dbraw/zinc/33/11/08/206331108.db2.gz LRAYUZQHRONNFR-KDOFPFPSSA-N 1 0 340.471 3.116 20 70 EGIDRO CCn1cc([C@@H](C)[NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)cn1 ZINC000161192423 206334464 /nfs/dbraw/zinc/33/44/64/206334464.db2.gz XMAZIXBCJBCCNT-HUUCEWRRSA-N 1 0 347.459 3.349 20 70 EGIDRO CC[C@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc2c(c1)OCCO2 ZINC000161314191 206340584 /nfs/dbraw/zinc/34/05/84/206340584.db2.gz ICLHWHOMAYQNKN-ROUUACIJSA-N 1 0 343.423 3.241 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CCOc1ccccc1-c1ccccc1 ZINC000161300424 206340981 /nfs/dbraw/zinc/34/09/81/206340981.db2.gz RJDXEZYAAUAIHK-SFHVURJKSA-N 1 0 338.451 3.333 20 70 EGIDRO CCCOc1ccc(/C=C/C(=O)N2CCC[C@H]2C[NH2+]C)cc1OCC ZINC000161335153 206341576 /nfs/dbraw/zinc/34/15/76/206341576.db2.gz XSGNYIOANGAVPZ-KAMXEHQASA-N 1 0 346.471 3.098 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000161346731 206343534 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CCSc1ccccc1[C@@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160386959 140959395 /nfs/dbraw/zinc/95/93/95/140959395.db2.gz KMWYVBQEHWNZHC-OAHLLOKOSA-N 1 0 349.544 3.002 20 70 EGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160633340 152764714 /nfs/dbraw/zinc/76/47/14/152764714.db2.gz RMIZSPZWEQPVMC-AWEZNQCLSA-N 1 0 330.501 3.355 20 70 EGIDRO CC[C@H]([NH3+])C(=O)N[C@@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000159701080 273749351 /nfs/dbraw/zinc/74/93/51/273749351.db2.gz PSKXCLDOQBIVAA-UONOGXRCSA-N 1 0 345.468 3.050 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC000160809637 275196112 /nfs/dbraw/zinc/19/61/12/275196112.db2.gz XVVMPGHTAKDBCX-CQSZACIVSA-N 1 0 334.341 3.205 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000159658210 277278174 /nfs/dbraw/zinc/27/81/74/277278174.db2.gz ZDHHHEHWBPWKBA-INIZCTEOSA-N 1 0 347.256 3.426 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCOc3c(Cl)cccc31)CC2 ZINC000160364837 279144266 /nfs/dbraw/zinc/14/42/66/279144266.db2.gz NHAPKEAKAHEFMR-DOMZBBRYSA-N 1 0 332.835 3.058 20 70 EGIDRO Cc1cc(C(=O)N(C)C2CC[NH+](CCc3ccccn3)CC2)oc1C ZINC000159653595 307877365 /nfs/dbraw/zinc/87/73/65/307877365.db2.gz GHGRJPKOLGUPMX-UHFFFAOYSA-N 1 0 341.455 3.071 20 70 EGIDRO CCc1ccc([C@@H](CO)NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1 ZINC000159385615 455373534 /nfs/dbraw/zinc/37/35/34/455373534.db2.gz FITCQKVKOPXOJT-LJQANCHMSA-N 1 0 349.519 3.091 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC000159616810 455389358 /nfs/dbraw/zinc/38/93/58/455389358.db2.gz FHDJEWFIISXDOB-LSDHHAIUSA-N 1 0 335.496 3.234 20 70 EGIDRO O=C(NC1CC[NH+](C2CCCC2)CC1)N1CCc2cccc(F)c2C1 ZINC000159655507 455394128 /nfs/dbraw/zinc/39/41/28/455394128.db2.gz STVSGBSYZDCJGT-UHFFFAOYSA-N 1 0 345.462 3.300 20 70 EGIDRO Cc1cccc(-c2nc(CC(=O)NCC3([NH3+])CCCCC3)cs2)c1 ZINC000159745350 455400629 /nfs/dbraw/zinc/40/06/29/455400629.db2.gz OKWVWWRUABWDMB-UHFFFAOYSA-N 1 0 343.496 3.439 20 70 EGIDRO O=C(NCCC1=CCCC1)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000160256990 455443056 /nfs/dbraw/zinc/44/30/56/455443056.db2.gz MACGTFNDIQKHBV-UHFFFAOYSA-N 1 0 330.497 3.466 20 70 EGIDRO Cc1cccc2c(CCC(=O)N[C@@H](C)C[NH+]3CCCCC3)c[nH]c21 ZINC000160365521 455452116 /nfs/dbraw/zinc/45/21/16/455452116.db2.gz MNOULQBHLNVRQS-INIZCTEOSA-N 1 0 327.472 3.400 20 70 EGIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@]1(C)CCCS1 ZINC000160395266 455454234 /nfs/dbraw/zinc/45/42/34/455454234.db2.gz SYZKPVVKSWOYDL-RDJZCZTQSA-N 1 0 327.538 3.226 20 70 EGIDRO CC(C)c1ccc(C[NH+]2CCC(c3ccnn3CCO)CC2)cc1 ZINC000160557417 455474138 /nfs/dbraw/zinc/47/41/38/455474138.db2.gz IEEOFPNBYRVJSK-UHFFFAOYSA-N 1 0 327.472 3.378 20 70 EGIDRO COC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)C1CC1 ZINC000159597108 455388396 /nfs/dbraw/zinc/38/83/96/455388396.db2.gz QKXVPWVINRGXNW-WOJBJXKFSA-N 1 0 338.451 3.251 20 70 EGIDRO CCC[C@@](C)(O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000159663722 455393497 /nfs/dbraw/zinc/39/34/97/455393497.db2.gz MTTPWRKYUIBYAW-LJQANCHMSA-N 1 0 334.460 3.041 20 70 EGIDRO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1C[C@@H]1c1ccc(F)cc1F ZINC000159682619 455395523 /nfs/dbraw/zinc/39/55/23/455395523.db2.gz HQDFIYFTRFQMFW-SJORKVTESA-N 1 0 336.426 3.497 20 70 EGIDRO C[C@@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159734919 455399509 /nfs/dbraw/zinc/39/95/09/455399509.db2.gz OCZGLURFLOJVJU-UTUOFQBUSA-N 1 0 343.254 3.114 20 70 EGIDRO Cc1nccn1CCC[N@H+]1CC[C@@H](C)N(Cc2ccccc2)CC1 ZINC000159863116 455410215 /nfs/dbraw/zinc/41/02/15/455410215.db2.gz LALZKARKICWESH-GOSISDBHSA-N 1 0 326.488 3.178 20 70 EGIDRO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1ccc(F)cc1F ZINC000159887805 455412872 /nfs/dbraw/zinc/41/28/72/455412872.db2.gz UYPBWMIPLZVJCW-INIZCTEOSA-N 1 0 325.403 3.153 20 70 EGIDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cscn2)CC1)c1ccccc1 ZINC000159907226 455414198 /nfs/dbraw/zinc/41/41/98/455414198.db2.gz WNJJNDDGVNETKA-GOSISDBHSA-N 1 0 343.496 3.418 20 70 EGIDRO C[C@H](O)C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000160222635 455439356 /nfs/dbraw/zinc/43/93/56/455439356.db2.gz OUUSFEMBBJKLJA-JXFKEZNVSA-N 1 0 340.467 3.033 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000160287002 455445330 /nfs/dbraw/zinc/44/53/30/455445330.db2.gz BJBLFEASISFQBY-KRWDZBQOSA-N 1 0 349.523 3.481 20 70 EGIDRO CC[NH+](CC)[C@@H](C(=O)Nc1cccc2c1OCCO2)c1ccccc1 ZINC000160355876 455450277 /nfs/dbraw/zinc/45/02/77/455450277.db2.gz RQINGTSRRKZVRM-GOSISDBHSA-N 1 0 340.423 3.479 20 70 EGIDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)nnn1-c1cccc(Cl)c1 ZINC000160451404 455460526 /nfs/dbraw/zinc/46/05/26/455460526.db2.gz KOWIOOWFRMGGDB-QEORTHHSSA-N 1 0 348.878 3.431 20 70 EGIDRO CC[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000160544206 455472897 /nfs/dbraw/zinc/47/28/97/455472897.db2.gz VTBHQBNYKDKHEB-KRWDZBQOSA-N 1 0 339.407 3.479 20 70 EGIDRO CC[N@@H+](Cc1cnn(C(C)(C)C)c1)C[C@@H]1COc2ccccc2O1 ZINC000160957052 455517657 /nfs/dbraw/zinc/51/76/57/455517657.db2.gz NVIDUPABONHZIA-MRXNPFEDSA-N 1 0 329.444 3.300 20 70 EGIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000160962708 455518649 /nfs/dbraw/zinc/51/86/49/455518649.db2.gz QROGPJYKPLPFRE-MSOLQXFVSA-N 1 0 340.492 3.335 20 70 EGIDRO C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000161093682 455532398 /nfs/dbraw/zinc/53/23/98/455532398.db2.gz HYLTWKVYIUWRHM-OXQOHEQNSA-N 1 0 338.451 3.350 20 70 EGIDRO C[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)COCc1ccccc1 ZINC000161296353 455556537 /nfs/dbraw/zinc/55/65/37/455556537.db2.gz FNDYKMXXTBUAMW-HNNXBMFYSA-N 1 0 344.421 3.456 20 70 EGIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000161354728 455561691 /nfs/dbraw/zinc/56/16/91/455561691.db2.gz YSAJXVOUUATLRN-YNIZLOQISA-N 1 0 330.472 3.191 20 70 EGIDRO CCC(CC)n1ncc(C(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1C ZINC000161379810 455565238 /nfs/dbraw/zinc/56/52/38/455565238.db2.gz ZCSRAPINHGXSRC-HNNXBMFYSA-N 1 0 334.508 3.403 20 70 EGIDRO c1cnc2c(c1)cccc2C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161394428 455566153 /nfs/dbraw/zinc/56/61/53/455566153.db2.gz XJROESDGOHZODA-QGZVFWFLSA-N 1 0 333.439 3.152 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCCN(c2ccccc2Cl)C1 ZINC000161291737 528649752 /nfs/dbraw/zinc/64/97/52/528649752.db2.gz LKGKUWPCCAXKNB-CQSZACIVSA-N 1 0 337.895 3.190 20 70 EGIDRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)[C@H]1CCOC1 ZINC000161026545 535895164 /nfs/dbraw/zinc/89/51/64/535895164.db2.gz JQTGRZPHJWEZQX-HKUYNNGSSA-N 1 0 330.472 3.004 20 70 EGIDRO CCN(Cc1ccoc1)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160251233 546945950 /nfs/dbraw/zinc/94/59/50/546945950.db2.gz WSLJBOLOKMZRRS-LPHOPBHVSA-N 1 0 341.455 3.474 20 70 EGIDRO [NH3+]C[C@H]1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000159643929 201408891 /nfs/dbraw/zinc/40/88/91/201408891.db2.gz YBYDCGKHQVCFSF-GFCCVEGCSA-N 1 0 347.256 3.413 20 70 EGIDRO CCCOc1cccc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000159417695 206246167 /nfs/dbraw/zinc/24/61/67/206246167.db2.gz KYHSOUXHJVRMPV-CRAIPNDOSA-N 1 0 331.460 3.423 20 70 EGIDRO [NH3+]C1(CNC(=O)c2cnn(-c3ccccc3)c2C2CC2)CCCCC1 ZINC000159670169 206258334 /nfs/dbraw/zinc/25/83/34/206258334.db2.gz IOJRFYICHLXBPP-UHFFFAOYSA-N 1 0 338.455 3.141 20 70 EGIDRO COc1ccc([C@@H](C)[C@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000159708237 206258853 /nfs/dbraw/zinc/25/88/53/206258853.db2.gz FCDMPKWILBSIEK-LXIYXOSZSA-N 1 0 330.403 3.143 20 70 EGIDRO O=C(c1ccccc1OCC1CC1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159818685 206264720 /nfs/dbraw/zinc/26/47/20/206264720.db2.gz VSEJXWABOURNEI-UHFFFAOYSA-N 1 0 328.456 3.080 20 70 EGIDRO Cc1cncc(/C=C/C(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000159872263 206268346 /nfs/dbraw/zinc/26/83/46/206268346.db2.gz ORNVILDERXFMSQ-LKGOPFMKSA-N 1 0 339.439 3.340 20 70 EGIDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000159916173 206270848 /nfs/dbraw/zinc/27/08/48/206270848.db2.gz LTIKSJLETBAKCO-QZTJIDSGSA-N 1 0 337.460 3.332 20 70 EGIDRO CCOCCC1(C[NH2+][C@@H](C(=O)NC2CC2)c2ccccc2)CCC1 ZINC000159998863 206274699 /nfs/dbraw/zinc/27/46/99/206274699.db2.gz AAANIJSCWUZXJR-GOSISDBHSA-N 1 0 330.472 3.193 20 70 EGIDRO CN(C)c1ccc(C(=O)NC2CC[NH+](C3CCCCC3)CC2)c(F)c1 ZINC000160032983 206276651 /nfs/dbraw/zinc/27/66/51/206276651.db2.gz VUAKORIKACVULT-UHFFFAOYSA-N 1 0 347.478 3.419 20 70 EGIDRO COc1cc([C@@H](C)[NH2+][C@H](C)CC(=O)N(C)C)ccc1OCC(C)C ZINC000160019165 206276919 /nfs/dbraw/zinc/27/69/19/206276919.db2.gz LVAOMPNTIMMAJY-HUUCEWRRSA-N 1 0 336.476 3.247 20 70 EGIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000160083597 206278983 /nfs/dbraw/zinc/27/89/83/206278983.db2.gz IVJYELHNNJMWAS-IRXDYDNUSA-N 1 0 344.503 3.380 20 70 EGIDRO C[C@@H](Cc1ccccc1Cl)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160089059 206279454 /nfs/dbraw/zinc/27/94/54/206279454.db2.gz OYIABCKXJMISRF-YXJHDRRASA-N 1 0 334.891 3.461 20 70 EGIDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160403422 206295360 /nfs/dbraw/zinc/29/53/60/206295360.db2.gz IAWCNSJCKAODKE-RISCZKNCSA-N 1 0 334.851 3.304 20 70 EGIDRO CC[C@@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1cnn(C)c1 ZINC000160518852 206301563 /nfs/dbraw/zinc/30/15/63/206301563.db2.gz VDIRYOTYJBCWFH-GOSISDBHSA-N 1 0 327.476 3.436 20 70 EGIDRO CS[C@@H](C)CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000161033336 206325568 /nfs/dbraw/zinc/32/55/68/206325568.db2.gz LHRNYSKWROUMJH-HNNXBMFYSA-N 1 0 347.528 3.299 20 70 EGIDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000161256225 206338164 /nfs/dbraw/zinc/33/81/64/206338164.db2.gz LEMHPRJQMKYTRR-MSOLQXFVSA-N 1 0 347.503 3.326 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)NCc2cc3ccccc3[nH]2)CC1 ZINC000161294243 206339899 /nfs/dbraw/zinc/33/98/99/206339899.db2.gz VTZRSYGHPYQBPK-UHFFFAOYSA-N 1 0 342.487 3.431 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC000161364835 206345146 /nfs/dbraw/zinc/34/51/46/206345146.db2.gz HGEXFHBXUXXNLT-UHFFFAOYSA-N 1 0 345.306 3.090 20 70 EGIDRO C[N@@H+]1CCC[C@H]2CN(C(=O)Nc3ccc4ncsc4c3)CC[C@@H]21 ZINC000161402570 206346721 /nfs/dbraw/zinc/34/67/21/206346721.db2.gz FFTHLIOQJOOMGE-WFASDCNBSA-N 1 0 330.457 3.244 20 70 EGIDRO Cc1cc(N(C)C)ccc1NC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000161434400 206348604 /nfs/dbraw/zinc/34/86/04/206348604.db2.gz CRJTXYIQPHZZIR-MAUKXSAKSA-N 1 0 330.476 3.009 20 70 EGIDRO COc1ccc(CNC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000161493277 206352218 /nfs/dbraw/zinc/35/22/18/206352218.db2.gz RMQNYWYDRCFISH-PXAZEXFGSA-N 1 0 332.831 3.301 20 70 EGIDRO Cc1ccc(OCCCC(=O)NCC2CC[NH+](C)CC2)c(Cl)c1 ZINC000159905633 140948747 /nfs/dbraw/zinc/94/87/47/140948747.db2.gz MYMADLRVBLNLDF-UHFFFAOYSA-N 1 0 338.879 3.265 20 70 EGIDRO CCc1nc2c(s1)[C@H](N(C)C(=O)NCC[NH+](CC)CC)CCC2 ZINC000160638702 152765479 /nfs/dbraw/zinc/76/54/79/152765479.db2.gz ZNJWEFYQSQDJAZ-CQSZACIVSA-N 1 0 338.521 3.066 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(C)CC2)CC1 ZINC000161205442 287156999 /nfs/dbraw/zinc/15/69/99/287156999.db2.gz BGMMMBYDYGBWOV-INIZCTEOSA-N 1 0 330.476 3.049 20 70 EGIDRO CC(C)(C)c1ccc(Oc2ccc(C(=O)N3CC[C@@H]([NH3+])C3)cn2)cc1 ZINC000160292907 264870854 /nfs/dbraw/zinc/87/08/54/264870854.db2.gz WQZWZADSURSXIA-MRXNPFEDSA-N 1 0 339.439 3.345 20 70 EGIDRO Brc1ccc(CC[NH2+]Cc2cn3ccccc3n2)s1 ZINC000218239461 266194555 /nfs/dbraw/zinc/19/45/55/266194555.db2.gz UUROVKWBKNUNAO-UHFFFAOYSA-N 1 0 336.258 3.491 20 70 EGIDRO CC[N@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2C(=O)OC)cc1)C(C)C ZINC000160956102 279234653 /nfs/dbraw/zinc/23/46/53/279234653.db2.gz DMPYMQZNMZPDFZ-GOSISDBHSA-N 1 0 346.471 3.085 20 70 EGIDRO CC(C)(C)C(=O)N1CCC(C[NH2+][C@@](C)(CO)C2CCCCC2)CC1 ZINC000159790295 307879694 /nfs/dbraw/zinc/87/96/94/307879694.db2.gz OVRBYCSEKUPGIC-FQEVSTJZSA-N 1 0 338.536 3.192 20 70 EGIDRO CC[C@H](C)CN(C)c1ccc(F)cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159817255 307880289 /nfs/dbraw/zinc/88/02/89/307880289.db2.gz OKVPCYIWALNJML-HNNXBMFYSA-N 1 0 349.494 3.395 20 70 EGIDRO O=C(NC[C@H]1CCCS1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160175963 307885714 /nfs/dbraw/zinc/88/57/14/307885714.db2.gz IQOAEUJMUNEVFQ-QGZVFWFLSA-N 1 0 339.549 3.180 20 70 EGIDRO C[NH+](C)Cc1cccc(C(=O)NCCc2csc(C(C)(C)C)n2)c1 ZINC000160663663 307893471 /nfs/dbraw/zinc/89/34/71/307893471.db2.gz UBWNEZIJOMJGEB-UHFFFAOYSA-N 1 0 345.512 3.475 20 70 EGIDRO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)cnn1CC(C)C ZINC000161018484 307897487 /nfs/dbraw/zinc/89/74/87/307897487.db2.gz JJABVLCVRMHZBV-HNAYVOBHSA-N 1 0 334.508 3.088 20 70 EGIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000161032642 307897537 /nfs/dbraw/zinc/89/75/37/307897537.db2.gz VIXVDMNDIZRHRA-IINYFYTJSA-N 1 0 341.402 3.018 20 70 EGIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2 ZINC000161151238 307899138 /nfs/dbraw/zinc/89/91/38/307899138.db2.gz MQWJMBGFCGJRIR-CQSZACIVSA-N 1 0 341.407 3.470 20 70 EGIDRO CC[C@H]([NH2+][C@@H](C)c1ccccn1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC000159383259 455373485 /nfs/dbraw/zinc/37/34/85/455373485.db2.gz JIFNGYXDKYQTBE-HFSMHLIXSA-N 1 0 339.483 3.412 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)n1 ZINC000159673846 455394394 /nfs/dbraw/zinc/39/43/94/455394394.db2.gz LPZZUNGBIOSIEC-UHFFFAOYSA-N 1 0 347.463 3.118 20 70 EGIDRO CCCC[NH+]1CCC(NC(=O)Cc2csc(-c3ccoc3)n2)CC1 ZINC000159627806 455390443 /nfs/dbraw/zinc/39/04/43/455390443.db2.gz IDCCNLNCRBUEMS-UHFFFAOYSA-N 1 0 347.484 3.326 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ccccc2)C(F)(F)F)CC1 ZINC000159663153 455393927 /nfs/dbraw/zinc/39/39/27/455393927.db2.gz ZECYOJLIPXXBGT-AWEZNQCLSA-N 1 0 329.366 3.027 20 70 EGIDRO CCn1ncc2ccc(NC(=O)NC3CCC(C[NH+](C)C)CC3)cc21 ZINC000159708420 455397835 /nfs/dbraw/zinc/39/78/35/455397835.db2.gz VHACZIQKILTLHX-UHFFFAOYSA-N 1 0 343.475 3.298 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(C)cc2OC(C)C)CC1 ZINC000159966786 455418926 /nfs/dbraw/zinc/41/89/26/455418926.db2.gz HBASDYCTROKZMF-UHFFFAOYSA-N 1 0 333.476 3.019 20 70 EGIDRO COc1ccc(C(=O)N2CCC([NH2+][C@@H]3CCC[C@H]3C)CC2)c(OC)c1 ZINC000159981500 455420290 /nfs/dbraw/zinc/42/02/90/455420290.db2.gz DBKTZCRBKZGORA-RDTXWAMCSA-N 1 0 346.471 3.087 20 70 EGIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000159986176 455420634 /nfs/dbraw/zinc/42/06/34/455420634.db2.gz OHIFLPNNAILBPB-CHWSQXEVSA-N 1 0 329.469 3.200 20 70 EGIDRO C[C@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccc(-n2cncn2)cc1 ZINC000160419889 455457325 /nfs/dbraw/zinc/45/73/25/455457325.db2.gz ZWFDVSAZRITQBY-OXJNMPFZSA-N 1 0 341.503 3.428 20 70 EGIDRO C[C@@H](C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000159435167 455377048 /nfs/dbraw/zinc/37/70/48/455377048.db2.gz XOAGEQUPSJHGBZ-CTRAYCPCSA-N 1 0 330.472 3.284 20 70 EGIDRO CCN(C(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1cccc2ccccc21 ZINC000159459033 455378354 /nfs/dbraw/zinc/37/83/54/455378354.db2.gz NUGIROTYXJLTRC-PXNSSMCTSA-N 1 0 340.467 3.286 20 70 EGIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@@H]1CCCSC1 ZINC000159482636 455379108 /nfs/dbraw/zinc/37/91/08/455379108.db2.gz YOBQRRHMQYLHPY-MRXNPFEDSA-N 1 0 335.517 3.092 20 70 EGIDRO CC(C)n1ncc2cc(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCC4)cnc21 ZINC000159467999 455379719 /nfs/dbraw/zinc/37/97/19/455379719.db2.gz KVOQFWLJDRFQMA-ZACQAIPSSA-N 1 0 326.444 3.059 20 70 EGIDRO CCOCCC1(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000159721520 455398697 /nfs/dbraw/zinc/39/86/97/455398697.db2.gz SJXLGDHLCLXCCB-VQIMIIECSA-N 1 0 339.524 3.003 20 70 EGIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000160006115 455420974 /nfs/dbraw/zinc/42/09/74/455420974.db2.gz UQGGSYOROBXEQZ-SWKXRBFHSA-N 1 0 346.519 3.243 20 70 EGIDRO Cc1nccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccccc2)cc1 ZINC000160076089 455426051 /nfs/dbraw/zinc/42/60/51/455426051.db2.gz RLGJWOPDOBJQFE-MRXNPFEDSA-N 1 0 348.450 3.148 20 70 EGIDRO Cc1ccc(C(C)C)c(OCCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000160138713 455431625 /nfs/dbraw/zinc/43/16/25/455431625.db2.gz IYDSUUCPVZTDCZ-KRWDZBQOSA-N 1 0 344.499 3.488 20 70 EGIDRO Cc1cc(C)c(Br)c(C(=O)N(C)[C@@H]2CCC[N@H+](C)C2)c1 ZINC000160462092 455462640 /nfs/dbraw/zinc/46/26/40/455462640.db2.gz MQFUPXNKVMISTN-CYBMUJFWSA-N 1 0 339.277 3.232 20 70 EGIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)c1nn(-c2ccccc2Cl)cc1C ZINC000160500534 455466761 /nfs/dbraw/zinc/46/67/61/455466761.db2.gz SBEQQZLDALBFLH-CQSZACIVSA-N 1 0 348.878 3.294 20 70 EGIDRO [NH3+][C@H](C(=O)NCC1(c2cccc(F)c2)CC1)c1cccc(Cl)c1 ZINC000160544675 455472675 /nfs/dbraw/zinc/47/26/75/455472675.db2.gz WJWFBVIWLXIWQK-INIZCTEOSA-N 1 0 332.806 3.327 20 70 EGIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+]([C@H](C)C3CC3)C3CC3)c2c1 ZINC000160578116 455476168 /nfs/dbraw/zinc/47/61/68/455476168.db2.gz HXUFTAGCNDDTKE-GFCCVEGCSA-N 1 0 340.423 3.400 20 70 EGIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(CCc1cccc(F)c1)C1CC1 ZINC000160627299 455481867 /nfs/dbraw/zinc/48/18/67/455481867.db2.gz HITIIYOOUSNLCH-GOSISDBHSA-N 1 0 345.462 3.027 20 70 EGIDRO CC[C@H]([NH2+]CCNC(=O)Cc1cccc(F)c1)c1ccc(F)cc1 ZINC000160853636 455505361 /nfs/dbraw/zinc/50/53/61/455505361.db2.gz BYOVAYPIZWBTDM-SFHVURJKSA-N 1 0 332.394 3.364 20 70 EGIDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cnn1CC(C)C ZINC000160885562 455508752 /nfs/dbraw/zinc/50/87/52/455508752.db2.gz FLHOHQYWYBRBDR-HNNXBMFYSA-N 1 0 334.508 3.088 20 70 EGIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(Cc1cccs1)C1CC1 ZINC000160884887 455508865 /nfs/dbraw/zinc/50/88/65/455508865.db2.gz ODFSJWQMENHTHB-CQSZACIVSA-N 1 0 333.501 3.439 20 70 EGIDRO Cc1c([C@H](C)[NH2+]CC(=O)NC(C)C)cnn1-c1cccc(Cl)c1 ZINC000160909885 455512238 /nfs/dbraw/zinc/51/22/38/455512238.db2.gz JUKMOTKBBJIAHG-LBPRGKRZSA-N 1 0 334.851 3.009 20 70 EGIDRO CC(C)[N@@H+]1CCCN(C(=O)N[C@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000160916717 455512831 /nfs/dbraw/zinc/51/28/31/455512831.db2.gz CLBZCOHKYGMNDZ-OALUTQOASA-N 1 0 345.487 3.032 20 70 EGIDRO C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cnc2ccccn12 ZINC000160935415 455515767 /nfs/dbraw/zinc/51/57/67/455515767.db2.gz KQFSQAFHXBQXLA-PSLXWICFSA-N 1 0 327.453 3.265 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000160954597 455517691 /nfs/dbraw/zinc/51/76/91/455517691.db2.gz ZCJOXWFVTKDYTJ-QWRGUYRKSA-N 1 0 333.259 3.263 20 70 EGIDRO CCc1ncc(NC(=O)NCC[C@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000161145590 455539992 /nfs/dbraw/zinc/53/99/92/455539992.db2.gz YJDPDTVWHSMMJQ-HNNXBMFYSA-N 1 0 341.459 3.071 20 70 EGIDRO CCc1ncc(NC(=O)NCC[C@@H](C)[N@H+](C)Cc2ccccc2)cn1 ZINC000161145478 455540423 /nfs/dbraw/zinc/54/04/23/455540423.db2.gz YJDPDTVWHSMMJQ-OAHLLOKOSA-N 1 0 341.459 3.071 20 70 EGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161170011 455542793 /nfs/dbraw/zinc/54/27/93/455542793.db2.gz JOBAMTDFEQUHGC-GOEBONIOSA-N 1 0 329.488 3.441 20 70 EGIDRO CCc1ncc(NC(=O)NC[C@@H](c2ccsc2)[NH+](CC)CC)cn1 ZINC000161177010 455544207 /nfs/dbraw/zinc/54/42/07/455544207.db2.gz GTSZCDVQOWDMCF-HNNXBMFYSA-N 1 0 347.488 3.305 20 70 EGIDRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161240102 455551405 /nfs/dbraw/zinc/55/14/05/455551405.db2.gz QYOJMXAYKCSJAM-ZIAGYGMSSA-N 1 0 333.432 3.257 20 70 EGIDRO Cc1ccc(CCN(CC(F)(F)F)C(=O)CC2([NH3+])CCC2)cc1 ZINC000161250338 455552384 /nfs/dbraw/zinc/55/23/84/455552384.db2.gz IQHKGRCZRSWLQH-UHFFFAOYSA-N 1 0 328.378 3.200 20 70 EGIDRO Cc1ccc(OCCCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000161333411 455560341 /nfs/dbraw/zinc/56/03/41/455560341.db2.gz KNCBVAREZQJVPR-SFHVURJKSA-N 1 0 330.472 3.159 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC000161413353 455567705 /nfs/dbraw/zinc/56/77/05/455567705.db2.gz XNFRFPREQZZYHW-IAGOWNOFSA-N 1 0 329.831 3.402 20 70 EGIDRO Fc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c(Cl)c1 ZINC000161409023 455568124 /nfs/dbraw/zinc/56/81/24/455568124.db2.gz YBHRHSZXDFMZMG-ZDUSSCGKSA-N 1 0 334.826 3.396 20 70 EGIDRO CN1CCC([NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000161460359 455571931 /nfs/dbraw/zinc/57/19/31/455571931.db2.gz ULRKARYPZXHHHU-HNNXBMFYSA-N 1 0 339.277 3.347 20 70 EGIDRO CCCCc1ccc(C(=O)CCC(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000161376094 529018804 /nfs/dbraw/zinc/01/88/04/529018804.db2.gz MJTQUEROXZDQQB-SFHVURJKSA-N 1 0 330.472 3.203 20 70 EGIDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c1ccc(Cl)cc1 ZINC000218039030 547240231 /nfs/dbraw/zinc/24/02/31/547240231.db2.gz NNHFFHZXAUZBMY-DOMZBBRYSA-N 1 0 339.867 3.251 20 70 EGIDRO C[NH+](C)CCN(Cc1cccc(Cl)c1)C(=O)c1cccc(F)n1 ZINC000159624038 206255843 /nfs/dbraw/zinc/25/58/43/206255843.db2.gz CDQOTQWAWMSDAD-UHFFFAOYSA-N 1 0 335.810 3.078 20 70 EGIDRO CC(=O)NC[C@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000159729987 206260233 /nfs/dbraw/zinc/26/02/33/206260233.db2.gz ZDTDMGNQOJAPOU-CYBMUJFWSA-N 1 0 345.270 3.220 20 70 EGIDRO O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000159455327 206247651 /nfs/dbraw/zinc/24/76/51/206247651.db2.gz LAAVQFJZRZRRAG-RTBURBONSA-N 1 0 342.483 3.259 20 70 EGIDRO COCc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000159776521 206262113 /nfs/dbraw/zinc/26/21/13/206262113.db2.gz ZPTNKYSTSPYEFC-UHFFFAOYSA-N 1 0 327.424 3.409 20 70 EGIDRO Cc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1Oc1cccnc1 ZINC000159799739 206263666 /nfs/dbraw/zinc/26/36/66/206263666.db2.gz OEPYODFSASQJQT-UHFFFAOYSA-N 1 0 339.439 3.270 20 70 EGIDRO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1cccs1 ZINC000159841599 206267418 /nfs/dbraw/zinc/26/74/18/206267418.db2.gz FRKCFMRGTJCUCE-OAHLLOKOSA-N 1 0 336.501 3.003 20 70 EGIDRO O=C([C@@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159840449 206267517 /nfs/dbraw/zinc/26/75/17/206267517.db2.gz LYXDTBPSACYRQO-HZPDHXFCSA-N 1 0 334.410 3.059 20 70 EGIDRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000159977130 206273116 /nfs/dbraw/zinc/27/31/16/206273116.db2.gz YYXVNPOTWOUEBQ-SECBINFHSA-N 1 0 336.741 3.219 20 70 EGIDRO CC(C)c1ccc(C(=O)Nc2sccc2C(=O)NCCC[NH3+])cc1 ZINC000160004931 206274489 /nfs/dbraw/zinc/27/44/89/206274489.db2.gz XKPUHHHCEMWFSR-UHFFFAOYSA-N 1 0 345.468 3.202 20 70 EGIDRO CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000160103217 206278880 /nfs/dbraw/zinc/27/88/80/206278880.db2.gz HAGIPBDMJYILGV-QFBILLFUSA-N 1 0 331.504 3.036 20 70 EGIDRO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160089164 206279836 /nfs/dbraw/zinc/27/98/36/206279836.db2.gz OYIABCKXJMISRF-QGPMSJSTSA-N 1 0 334.891 3.461 20 70 EGIDRO CC(C)c1ccc([C@H](C)CC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000160159633 206281855 /nfs/dbraw/zinc/28/18/55/206281855.db2.gz LOVPWXTYLFHEIM-QZTJIDSGSA-N 1 0 345.531 3.056 20 70 EGIDRO C[C@@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)Oc1ccccc1Br ZINC000160374121 206292971 /nfs/dbraw/zinc/29/29/71/206292971.db2.gz JANAALFGUZDKLF-RWMBFGLXSA-N 1 0 328.250 3.231 20 70 EGIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc(Br)c1 ZINC000160525785 206302485 /nfs/dbraw/zinc/30/24/85/206302485.db2.gz DYXFNNPCFWUKSI-LSDHHAIUSA-N 1 0 349.276 3.405 20 70 EGIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(-c2ccncc2)c1 ZINC000160627400 206306617 /nfs/dbraw/zinc/30/66/17/206306617.db2.gz UEDCLFNMKFBVGO-GFCCVEGCSA-N 1 0 337.345 3.078 20 70 EGIDRO CC[C@H](O)CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000160946768 206319386 /nfs/dbraw/zinc/31/93/86/206319386.db2.gz MDBAUONXLMZLJI-LPHOPBHVSA-N 1 0 347.503 3.021 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H]1C[C@@H](C)c2c1cccc2Br ZINC000160978008 206320497 /nfs/dbraw/zinc/32/04/97/206320497.db2.gz VKRFVIAIJQBDRL-ZWNOBZJWSA-N 1 0 325.250 3.112 20 70 EGIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cncs3)CC2)cc1 ZINC000160987557 206321808 /nfs/dbraw/zinc/32/18/08/206321808.db2.gz TVTCEDIYHKILND-AWEZNQCLSA-N 1 0 329.469 3.407 20 70 EGIDRO C[NH+](C)[C@@H](CNC(=O)c1ccnc(Cl)c1F)c1cccc(F)c1 ZINC000161086351 206327763 /nfs/dbraw/zinc/32/77/63/206327763.db2.gz DRPJDMGSUNFIKP-ZDUSSCGKSA-N 1 0 339.773 3.046 20 70 EGIDRO O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccnc(Cl)c1F ZINC000161090989 206327855 /nfs/dbraw/zinc/32/78/55/206327855.db2.gz NMVSJRROIWSLCM-HNNXBMFYSA-N 1 0 347.821 3.441 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2ccccc2NC(=O)C(C)(C)C)CC1 ZINC000161123916 206329352 /nfs/dbraw/zinc/32/93/52/206329352.db2.gz FVFRWGZUSDLUBH-UHFFFAOYSA-N 1 0 345.487 3.133 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000161248317 206337738 /nfs/dbraw/zinc/33/77/38/206337738.db2.gz MNSPZEJPHASAET-ZDUSSCGKSA-N 1 0 335.860 3.288 20 70 EGIDRO CCN(CC)[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)c1ccsc1 ZINC000161280793 206338519 /nfs/dbraw/zinc/33/85/19/206338519.db2.gz LNKQNLQZKUHZTP-ABHNRTSZSA-N 1 0 337.533 3.168 20 70 EGIDRO Cc1cccc2c(CCC(=O)NC[C@@H]3CC[N@@H+](C4CC4)C3)c[nH]c21 ZINC000161336488 206341436 /nfs/dbraw/zinc/34/14/36/206341436.db2.gz VCVWGTDCDOSUHE-HNNXBMFYSA-N 1 0 325.456 3.009 20 70 EGIDRO CCOCCC1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CCC1 ZINC000161352066 206343269 /nfs/dbraw/zinc/34/32/69/206343269.db2.gz LKMIHKMVENOAJU-SFHVURJKSA-N 1 0 348.487 3.011 20 70 EGIDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000161380106 206344991 /nfs/dbraw/zinc/34/49/91/206344991.db2.gz FYCSRFXCUPCBSK-CQSZACIVSA-N 1 0 337.402 3.184 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2sccc2C)c1 ZINC000161441652 206347780 /nfs/dbraw/zinc/34/77/80/206347780.db2.gz JPFXZSOSPVJABP-OLZOCXBDSA-N 1 0 338.498 3.376 20 70 EGIDRO CC(C)(C[NH3+])C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000161175743 264890100 /nfs/dbraw/zinc/89/01/00/264890100.db2.gz BYEZDVCCUWZKRN-UHFFFAOYSA-N 1 0 328.378 3.228 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H](C)C2)CC1 ZINC000161208271 274279122 /nfs/dbraw/zinc/27/91/22/274279122.db2.gz RCHZRQKUTPLULA-HOTGVXAUSA-N 1 0 330.476 3.049 20 70 EGIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160815692 275196141 /nfs/dbraw/zinc/19/61/41/275196141.db2.gz HRTIMWZREWOOST-LJQANCHMSA-N 1 0 343.515 3.383 20 70 EGIDRO CC(=O)NC1CCC([NH2+]C[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000161384771 277024595 /nfs/dbraw/zinc/02/45/95/277024595.db2.gz UNIJPCNMIYPSST-CBNMVNINSA-N 1 0 343.515 3.169 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C2SCCCS2)cc1 ZINC000161211457 277028115 /nfs/dbraw/zinc/02/81/15/277028115.db2.gz HRPVZTITUVTJJP-HNNXBMFYSA-N 1 0 336.526 3.379 20 70 EGIDRO C[C@@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccc(Br)cc1 ZINC000159461052 307874324 /nfs/dbraw/zinc/87/43/24/307874324.db2.gz LRPOUOBOFKBYHC-IAQYHMDHSA-N 1 0 339.277 3.009 20 70 EGIDRO CCCCn1ncc(NC(=O)N2CCC([NH+]3CCCC3)CC2)c1C ZINC000159612666 307876646 /nfs/dbraw/zinc/87/66/46/307876646.db2.gz IPPTYIKGAQAGNW-UHFFFAOYSA-N 1 0 333.480 3.084 20 70 EGIDRO C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)c2ccc(F)cc2)cc1 ZINC000159643672 307877003 /nfs/dbraw/zinc/87/70/03/307877003.db2.gz BHAMCCRHZJHKDD-UHFFFAOYSA-N 1 0 328.431 3.481 20 70 EGIDRO CCOCc1ccccc1CNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000160210141 307886515 /nfs/dbraw/zinc/88/65/15/307886515.db2.gz UENMRNIBLFINMZ-UHFFFAOYSA-N 1 0 347.503 3.239 20 70 EGIDRO C[C@@H](C(=O)NCC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000160364851 307888760 /nfs/dbraw/zinc/88/87/60/307888760.db2.gz JURNBOWLAHZBBC-GFCCVEGCSA-N 1 0 339.277 3.011 20 70 EGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160625237 307892802 /nfs/dbraw/zinc/89/28/02/307892802.db2.gz XABHDTYCGMMXTJ-AWEZNQCLSA-N 1 0 337.533 3.191 20 70 EGIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 ZINC000161131418 307899055 /nfs/dbraw/zinc/89/90/55/307899055.db2.gz PFEYJYUANOABFD-CYBMUJFWSA-N 1 0 327.380 3.080 20 70 EGIDRO Cc1ccc([C@H]([NH2+]CCCCS(C)(=O)=O)c2ccccc2)cc1 ZINC000161207904 307900194 /nfs/dbraw/zinc/90/01/94/307900194.db2.gz IQKRSQSDUCRYCJ-LJQANCHMSA-N 1 0 331.481 3.499 20 70 EGIDRO C[C@@H]([NH2+]CCOCC(F)(F)F)c1cnn(Cc2ccccc2)c1 ZINC000159366949 455372991 /nfs/dbraw/zinc/37/29/91/455372991.db2.gz VGXLTMDCJGSGBC-CYBMUJFWSA-N 1 0 327.350 3.161 20 70 EGIDRO C[C@H](C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@@H]([NH3+])c1ccccc1 ZINC000159379293 455373370 /nfs/dbraw/zinc/37/33/70/455373370.db2.gz VNONQWHHCZLTSJ-CPOIFUIOSA-N 1 0 330.378 3.273 20 70 EGIDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000159651064 455392443 /nfs/dbraw/zinc/39/24/43/455392443.db2.gz OQNXWCMLNGRSJK-HNNXBMFYSA-N 1 0 335.245 3.315 20 70 EGIDRO C[C@@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)C[C@@H](C)[NH2+]1 ZINC000159648851 455392738 /nfs/dbraw/zinc/39/27/38/455392738.db2.gz GSERHLDMWMXLKP-VXGBXAGGSA-N 1 0 347.256 3.425 20 70 EGIDRO C[C@@](C[NH3+])(NC(=O)c1ccc2cc(Br)ccc2c1)C1CC1 ZINC000159656946 455393971 /nfs/dbraw/zinc/39/39/71/455393971.db2.gz DYBVKPZXNBZOGU-KRWDZBQOSA-N 1 0 347.256 3.460 20 70 EGIDRO CC(C)(CNC(=O)[C@@H]1[NH2+]CCc2ccccc21)c1cccc(F)c1 ZINC000159707868 455397449 /nfs/dbraw/zinc/39/74/49/455397449.db2.gz HNCMGNDBRWPXPM-GOSISDBHSA-N 1 0 326.415 3.107 20 70 EGIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@@H]1CCCS1 ZINC000159755407 455400119 /nfs/dbraw/zinc/40/01/19/455400119.db2.gz OELYVYGSTJCSTA-INIZCTEOSA-N 1 0 335.517 3.092 20 70 EGIDRO CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cnn(CC(C)C)c1C ZINC000160340140 455449321 /nfs/dbraw/zinc/44/93/21/455449321.db2.gz FECMLXBMVILJKB-KRWDZBQOSA-N 1 0 334.508 3.232 20 70 EGIDRO C[C@@H](C[NH2+][C@@H](C)c1cnn(C)c1)Oc1ccccc1Br ZINC000160380074 455452773 /nfs/dbraw/zinc/45/27/73/455452773.db2.gz OEMQCDFFJMFAON-RYUDHWBXSA-N 1 0 338.249 3.301 20 70 EGIDRO COc1ccccc1[C@@H]1CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000160378387 455452827 /nfs/dbraw/zinc/45/28/27/455452827.db2.gz FFRPYEZEECRABK-BRWVUGGUSA-N 1 0 330.472 3.037 20 70 EGIDRO C[C@H]([NH2+]Cc1cn2ccccc2n1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159408139 455375324 /nfs/dbraw/zinc/37/53/24/455375324.db2.gz OCHYWTVMXQRCKJ-ZDUSSCGKSA-N 1 0 334.423 3.415 20 70 EGIDRO COCCOc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1OC ZINC000159572250 455386163 /nfs/dbraw/zinc/38/61/63/455386163.db2.gz HLIFUIYRDXGULF-ZFWWWQNUSA-N 1 0 325.474 3.267 20 70 EGIDRO COC[C@@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000159842788 455408862 /nfs/dbraw/zinc/40/88/62/455408862.db2.gz GDMUUIRQNQVBLY-AWEZNQCLSA-N 1 0 339.794 3.368 20 70 EGIDRO C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159846265 455409288 /nfs/dbraw/zinc/40/92/88/455409288.db2.gz OTEGUDLVFQCKOZ-AWEZNQCLSA-N 1 0 329.419 3.351 20 70 EGIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(-c2ccncc2)cc1 ZINC000160552650 455473758 /nfs/dbraw/zinc/47/37/58/455473758.db2.gz BXZFWPQYIVTXLG-LBPRGKRZSA-N 1 0 337.345 3.078 20 70 EGIDRO CC[C@H]1c2ccsc2CCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160637308 455483111 /nfs/dbraw/zinc/48/31/11/455483111.db2.gz VCQKDKWRRWVNAW-HOCLYGCPSA-N 1 0 333.501 3.251 20 70 EGIDRO CCC(=O)c1cccc(NC(=O)[C@@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000160742550 455494087 /nfs/dbraw/zinc/49/40/87/455494087.db2.gz MPDYYEMDCFZXCK-SFHVURJKSA-N 1 0 332.444 3.011 20 70 EGIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N(Cc1cccs1)C1CC1 ZINC000160885029 455508090 /nfs/dbraw/zinc/50/80/90/455508090.db2.gz ODFSJWQMENHTHB-AWEZNQCLSA-N 1 0 333.501 3.439 20 70 EGIDRO CC(C)[N@@H+]1CCCN(C(=O)N[C@@H]2CCO[C@H](c3ccccc3)C2)CC1 ZINC000160916597 455513220 /nfs/dbraw/zinc/51/32/20/455513220.db2.gz CLBZCOHKYGMNDZ-MOPGFXCFSA-N 1 0 345.487 3.032 20 70 EGIDRO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000160995087 455521052 /nfs/dbraw/zinc/52/10/52/455521052.db2.gz WFPMOEZRAWMWBU-MZMPZRCHSA-N 1 0 345.487 3.260 20 70 EGIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000161090775 455531878 /nfs/dbraw/zinc/53/18/78/455531878.db2.gz JQZOTXIKOMZLBP-KFWWJZLASA-N 1 0 347.894 3.444 20 70 EGIDRO C[C@@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@H](c2ccccc2)CO1 ZINC000161086218 455532194 /nfs/dbraw/zinc/53/21/94/455532194.db2.gz MWCOMWRWYMCRPT-UXPWSPDFSA-N 1 0 338.451 3.455 20 70 EGIDRO C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000161119930 455536080 /nfs/dbraw/zinc/53/60/80/455536080.db2.gz VECFRHOQWHSXHE-JWRWLIQVSA-N 1 0 341.499 3.282 20 70 EGIDRO O=S1(=O)CC[C@@H]([NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000161352156 455561900 /nfs/dbraw/zinc/56/19/00/455561900.db2.gz GUPZFOQPZTZGML-VQTJNVASSA-N 1 0 343.492 3.007 20 70 EGIDRO CC(C)c1nc(CN2CCC[C@H](c3nnc4n3CCC4)C2)cs1 ZINC000161397961 455566209 /nfs/dbraw/zinc/56/62/09/455566209.db2.gz JUMLPCKWLAWJQL-ZDUSSCGKSA-N 1 0 331.489 3.184 20 70 EGIDRO Cc1ccccc1OCCCNC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000217300376 456032370 /nfs/dbraw/zinc/03/23/70/456032370.db2.gz BUOLCKFHYXFJRJ-UHFFFAOYSA-N 1 0 347.503 3.372 20 70 EGIDRO CC(C)(C)c1nsc(NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)n1 ZINC000160311018 526907099 /nfs/dbraw/zinc/90/70/99/526907099.db2.gz RNVVNKSFOVDEJJ-HNNXBMFYSA-N 1 0 346.500 3.014 20 70 EGIDRO CC(C)([NH3+])C(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC000161348982 527239160 /nfs/dbraw/zinc/23/91/60/527239160.db2.gz YILYNBDIYVFQFG-UHFFFAOYSA-N 1 0 339.277 3.114 20 70 EGIDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000159644788 536360105 /nfs/dbraw/zinc/36/01/05/536360105.db2.gz MLGWVXUVRMIMMX-MRXNPFEDSA-N 1 0 347.256 3.426 20 70 EGIDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)C[C@@H]2CCC[C@@H]2O)c(C)c1 ZINC000159603621 546938924 /nfs/dbraw/zinc/93/89/24/546938924.db2.gz ONRDYHYYFSUKEU-ROUUACIJSA-N 1 0 332.488 3.423 20 70 EGIDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cccc(-n2cnnn2)c1 ZINC000161347623 546954511 /nfs/dbraw/zinc/95/45/11/546954511.db2.gz YTTCQMQFWTVJGZ-AWEZNQCLSA-N 1 0 337.402 3.184 20 70 EGIDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NCC(C)C)c1ccc(Cl)cc1 ZINC000218038949 547240310 /nfs/dbraw/zinc/24/03/10/547240310.db2.gz NNHFFHZXAUZBMY-IUODEOHRSA-N 1 0 339.867 3.251 20 70 EGIDRO CCCN(C(=O)c1ccc(C)cc1Br)C1CC[NH2+]CC1 ZINC000161223122 205571335 /nfs/dbraw/zinc/57/13/35/205571335.db2.gz FGKBWPNLFSNLID-UHFFFAOYSA-N 1 0 339.277 3.362 20 70 EGIDRO O=C(C[C@@H]1OCCc2ccccc21)NCC[NH2+]C1CCCCCC1 ZINC000159706208 206259639 /nfs/dbraw/zinc/25/96/39/206259639.db2.gz AUFZKVXHGCROLB-IBGZPJMESA-N 1 0 330.472 3.119 20 70 EGIDRO C[C@@H](CCOc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159865245 206267522 /nfs/dbraw/zinc/26/75/22/206267522.db2.gz XZBZSHGJARVCDH-INIZCTEOSA-N 1 0 330.472 3.082 20 70 EGIDRO O=C([C@H]1C[C@@H]1c1cccc(F)c1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159883102 206268476 /nfs/dbraw/zinc/26/84/76/206268476.db2.gz RSQUSVCXAWHZCW-CVEARBPZSA-N 1 0 334.410 3.059 20 70 EGIDRO Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)NCC(C)(C)[NH3+] ZINC000159979800 206272844 /nfs/dbraw/zinc/27/28/44/206272844.db2.gz YZHUURIQYWGEBI-UHFFFAOYSA-N 1 0 342.226 3.424 20 70 EGIDRO CC(C)c1ccc([C@@H](C)CC(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000160159755 206282010 /nfs/dbraw/zinc/28/20/10/206282010.db2.gz LOVPWXTYLFHEIM-ROUUACIJSA-N 1 0 345.531 3.056 20 70 EGIDRO COc1ccc(-c2ccc(C(=O)N3CCC[C@H]3C[NH3+])c(F)c2)c(F)c1 ZINC000160260586 206286439 /nfs/dbraw/zinc/28/64/39/206286439.db2.gz CEAOOHHARZLVQD-ZDUSSCGKSA-N 1 0 346.377 3.204 20 70 EGIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000160281863 206288578 /nfs/dbraw/zinc/28/85/78/206288578.db2.gz CXGLVCZRDYXSIO-HIFRSBDPSA-N 1 0 342.405 3.294 20 70 EGIDRO CCC[N@H+](Cc1cnc(N2CCOCC2)s1)Cc1ccccc1 ZINC000160475328 206298437 /nfs/dbraw/zinc/29/84/37/206298437.db2.gz PGHJCHSZRJIGRZ-UHFFFAOYSA-N 1 0 331.485 3.392 20 70 EGIDRO CC1CCN(c2ccc(C[NH2+][C@@H]3CCCc4c3cnn4C)cn2)CC1 ZINC000160512005 206301420 /nfs/dbraw/zinc/30/14/20/206301420.db2.gz ZBZZBDCPSJRZNK-GOSISDBHSA-N 1 0 339.487 3.219 20 70 EGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000161144950 206331460 /nfs/dbraw/zinc/33/14/60/206331460.db2.gz LRAYUZQHRONNFR-KBXCAEBGSA-N 1 0 340.471 3.116 20 70 EGIDRO CC(C)n1nccc1C(=O)Nc1ccccc1NC1CC[NH+](C)CC1 ZINC000160871410 206317012 /nfs/dbraw/zinc/31/70/12/206317012.db2.gz WCGRSPKZJYWFJK-UHFFFAOYSA-N 1 0 341.459 3.222 20 70 EGIDRO CSc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160978473 206320845 /nfs/dbraw/zinc/32/08/45/206320845.db2.gz PXWOROSQJHBGBV-QMTMVMCOSA-N 1 0 348.512 3.363 20 70 EGIDRO Cc1ccc2cc(C(=O)NC[C@H]3CCC[N@@H+](C(C)C)C3)ccc2n1 ZINC000161079875 206326117 /nfs/dbraw/zinc/32/61/17/206326117.db2.gz DLFUWGFEZSUVIX-MRXNPFEDSA-N 1 0 325.456 3.393 20 70 EGIDRO COc1cccc(CNC(=O)CSCC[NH+](C(C)C)C(C)C)c1 ZINC000161062254 206326694 /nfs/dbraw/zinc/32/66/94/206326694.db2.gz TWSDLHIPKCUTFE-UHFFFAOYSA-N 1 0 338.517 3.163 20 70 EGIDRO CCCCOc1ccc(C(=O)N2CCC(C[NH2+]CC)CC2)cc1OC ZINC000161078546 206327113 /nfs/dbraw/zinc/32/71/13/206327113.db2.gz ALECASXCWUKVRY-UHFFFAOYSA-N 1 0 348.487 3.336 20 70 EGIDRO COCCC1(C(=O)NC[C@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000161104105 206327393 /nfs/dbraw/zinc/32/73/93/206327393.db2.gz GKFZFZZMJUKWFZ-GOSISDBHSA-N 1 0 330.472 3.065 20 70 EGIDRO C[C@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2 ZINC000161185726 206334604 /nfs/dbraw/zinc/33/46/04/206334604.db2.gz QSRGEGOIKPWJIH-AWEZNQCLSA-N 1 0 342.443 3.017 20 70 EGIDRO CC(C)CC(=O)Nc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161373943 206345213 /nfs/dbraw/zinc/34/52/13/206345213.db2.gz PVQLOTFOQKZZPS-UHFFFAOYSA-N 1 0 346.471 3.447 20 70 EGIDRO CO[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000161409426 206346357 /nfs/dbraw/zinc/34/63/57/206346357.db2.gz LPBRSOGGPFAHPJ-KKXDTOCCSA-N 1 0 346.858 3.480 20 70 EGIDRO Fc1cccc(N2CCC[C@H]([NH2+]C3CCC4(CC3)OCCO4)C2)c1 ZINC000161484723 206351917 /nfs/dbraw/zinc/35/19/17/206351917.db2.gz DCXPVQXSNHCARN-KRWDZBQOSA-N 1 0 334.435 3.070 20 70 EGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cnn(CC(C)C)c2C)c1 ZINC000161478338 206352210 /nfs/dbraw/zinc/35/22/10/206352210.db2.gz SYNIMFSBOGODLB-UHFFFAOYSA-N 1 0 342.487 3.229 20 70 EGIDRO O=C(Nc1ccccn1)[C@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000159443957 140938707 /nfs/dbraw/zinc/93/87/07/140938707.db2.gz NBSVLIWETZLRSD-KRWDZBQOSA-N 1 0 349.356 3.475 20 70 EGIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cnc(-c2ccccn2)s1 ZINC000159691888 140944745 /nfs/dbraw/zinc/94/47/45/140944745.db2.gz BFRXYKPWAUFAML-UHFFFAOYSA-N 1 0 344.484 3.247 20 70 EGIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)c2ccccc12 ZINC000160383641 274117405 /nfs/dbraw/zinc/11/74/05/274117405.db2.gz YHEKAVHWBZBMOB-ZFWWWQNUSA-N 1 0 336.439 3.414 20 70 EGIDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)[C@@H]1CCOC1 ZINC000159566569 274519562 /nfs/dbraw/zinc/51/95/62/274519562.db2.gz PBATVBYMHNAVIZ-HQRMLTQVSA-N 1 0 338.451 3.251 20 70 EGIDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)[C@H]1CCOC1 ZINC000159566771 274519638 /nfs/dbraw/zinc/51/96/38/274519638.db2.gz PBATVBYMHNAVIZ-QRFRQXIXSA-N 1 0 338.451 3.251 20 70 EGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000159940660 307882539 /nfs/dbraw/zinc/88/25/39/307882539.db2.gz CUUNRMIWZMQFPK-KRWDZBQOSA-N 1 0 326.444 3.326 20 70 EGIDRO O[C@H](C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1)C(F)(F)F ZINC000161504416 307903392 /nfs/dbraw/zinc/90/33/92/307903392.db2.gz LKCRMIXBUQBPII-MRXNPFEDSA-N 1 0 339.361 3.008 20 70 EGIDRO O=C(NCCc1cc2ccccc2[nH]1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000159508926 455381710 /nfs/dbraw/zinc/38/17/10/455381710.db2.gz LOYOAUKNBWFMTL-KRWDZBQOSA-N 1 0 339.483 3.481 20 70 EGIDRO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[C@@H]1O ZINC000159580682 455387558 /nfs/dbraw/zinc/38/75/58/455387558.db2.gz YOJNTNIKXFEGRY-HZMBPMFUSA-N 1 0 331.243 3.025 20 70 EGIDRO CCCCn1ncc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)c1C ZINC000159924801 455415812 /nfs/dbraw/zinc/41/58/12/455415812.db2.gz XDWGWFJHTJVMBS-QGZVFWFLSA-N 1 0 344.459 3.152 20 70 EGIDRO CCOCCC1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC)CCCC1 ZINC000160101257 455428688 /nfs/dbraw/zinc/42/86/88/455428688.db2.gz CYXIDESCPCTTGS-KRWDZBQOSA-N 1 0 339.524 3.147 20 70 EGIDRO O=C(C[C@H](c1ccccc1)C(F)(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159963380 455419211 /nfs/dbraw/zinc/41/92/11/455419211.db2.gz QOXVMRAFXKLUBD-QLFBSQMISA-N 1 0 326.362 3.076 20 70 EGIDRO COc1cc(C(=O)NCC2([NH3+])CCCCC2)ccc1OCC(C)C ZINC000159558756 455385624 /nfs/dbraw/zinc/38/56/24/455385624.db2.gz AXGYXRCRZYMGMH-UHFFFAOYSA-N 1 0 334.460 3.121 20 70 EGIDRO COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1OC ZINC000159572373 455386181 /nfs/dbraw/zinc/38/61/81/455386181.db2.gz HLIFUIYRDXGULF-HIFRSBDPSA-N 1 0 325.474 3.267 20 70 EGIDRO Cc1ccc(C(=O)CC[N@@H+](C)C[C@@H](O)COCc2ccccc2)cc1 ZINC000159639218 455391610 /nfs/dbraw/zinc/39/16/10/455391610.db2.gz RVUDLLNNBRXSCL-HXUWFJFHSA-N 1 0 341.451 3.077 20 70 EGIDRO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000159722147 455398430 /nfs/dbraw/zinc/39/84/30/455398430.db2.gz LNEZBDQNSSJLCO-QGPMSJSTSA-N 1 0 334.891 3.461 20 70 EGIDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@@H]2c2ccccc2OC(F)F)CCCCC1 ZINC000159724324 455398631 /nfs/dbraw/zinc/39/86/31/455398631.db2.gz ROQPNGZYXVMCKF-ZIAGYGMSSA-N 1 0 338.398 3.169 20 70 EGIDRO CCOCCC1(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000159721176 455398762 /nfs/dbraw/zinc/39/87/62/455398762.db2.gz SJXLGDHLCLXCCB-LPHOPBHVSA-N 1 0 339.524 3.003 20 70 EGIDRO CCc1c(C(=O)N2CC[NH+](C3CCCCC3)CC2)cnn1CC(C)C ZINC000159817403 455406658 /nfs/dbraw/zinc/40/66/58/455406658.db2.gz XHCBHEHVGIEYAL-UHFFFAOYSA-N 1 0 346.519 3.192 20 70 EGIDRO Cc1nccn1CCC[N@H+]1CC[C@H](C)N(Cc2ccccc2)CC1 ZINC000159862977 455410456 /nfs/dbraw/zinc/41/04/56/455410456.db2.gz LALZKARKICWESH-SFHVURJKSA-N 1 0 326.488 3.178 20 70 EGIDRO CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C)Cc1ccccc1 ZINC000159854263 455410582 /nfs/dbraw/zinc/41/05/82/455410582.db2.gz UKUHLKWPAZOKSN-XKGZKEIXSA-N 1 0 344.499 3.061 20 70 EGIDRO CCCN(CC(F)F)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159899384 455413555 /nfs/dbraw/zinc/41/35/55/455413555.db2.gz NADTZGLRUOKWHV-GDBMZVCRSA-N 1 0 339.430 3.336 20 70 EGIDRO Cc1ccc(C(=O)CC[NH+]2CCC(OC[C@H]3CCCO3)CC2)cc1 ZINC000160087811 455427393 /nfs/dbraw/zinc/42/73/93/455427393.db2.gz XRFRBBSVRROXNK-LJQANCHMSA-N 1 0 331.456 3.228 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000160192727 455436026 /nfs/dbraw/zinc/43/60/26/455436026.db2.gz OFUBFWQHHKCCDW-CQSZACIVSA-N 1 0 339.911 3.025 20 70 EGIDRO COc1cccc(OCCCNC(=O)CC[C@H]([NH3+])c2ccccc2)c1 ZINC000160196752 455437792 /nfs/dbraw/zinc/43/77/92/455437792.db2.gz DNQREEIXKPJFED-IBGZPJMESA-N 1 0 342.439 3.061 20 70 EGIDRO C[C@@]1(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCCS1 ZINC000160292401 455445229 /nfs/dbraw/zinc/44/52/29/455445229.db2.gz QWYZEUOYJBDCMN-IBGZPJMESA-N 1 0 347.528 3.020 20 70 EGIDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)c(SC)cc1OC ZINC000160428946 455458079 /nfs/dbraw/zinc/45/80/79/455458079.db2.gz YSJBDJYYTUPBGU-ZDUSSCGKSA-N 1 0 325.474 3.473 20 70 EGIDRO C[N@H+](Cc1cccnc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160598782 455479401 /nfs/dbraw/zinc/47/94/01/455479401.db2.gz LNXXVARJNNOXMN-SJPCQFCGSA-N 1 0 331.460 3.444 20 70 EGIDRO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccc(C)cc2)c1C ZINC000160637346 455483137 /nfs/dbraw/zinc/48/31/37/455483137.db2.gz HANJWRNAHOZMBD-UHFFFAOYSA-N 1 0 329.444 3.003 20 70 EGIDRO O=C(CCc1ccc(-c2ccccc2F)o1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160693694 455489182 /nfs/dbraw/zinc/48/91/82/455489182.db2.gz HZCJLLZXFPCCJI-GASCZTMLSA-N 1 0 342.414 3.371 20 70 EGIDRO C[C@@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160796827 455499936 /nfs/dbraw/zinc/49/99/36/455499936.db2.gz ZXIZNAKBRFUWEP-HOCLYGCPSA-N 1 0 331.460 3.112 20 70 EGIDRO C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)N(C)Cc1ccccc1 ZINC000160892726 455509751 /nfs/dbraw/zinc/50/97/51/455509751.db2.gz HVQOBIGNIUEZGY-ROUUACIJSA-N 1 0 349.482 3.438 20 70 EGIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cncc(F)c3)CC2)cc1 ZINC000161024300 455524780 /nfs/dbraw/zinc/52/47/80/455524780.db2.gz IQEBSMVYMRCMQG-OAHLLOKOSA-N 1 0 341.430 3.485 20 70 EGIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc([S@](C)=O)cc1 ZINC000161135222 455538555 /nfs/dbraw/zinc/53/85/55/455538555.db2.gz VFJZAUZJLNUFMW-ZAMGYDSWSA-N 1 0 331.437 3.046 20 70 EGIDRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161239974 455551555 /nfs/dbraw/zinc/55/15/55/455551555.db2.gz QYOJMXAYKCSJAM-KBPBESRZSA-N 1 0 333.432 3.257 20 70 EGIDRO Cc1ccc(-n2nc(C(C)C)cc2NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000161296423 455556161 /nfs/dbraw/zinc/55/61/61/455556161.db2.gz MXEDJJGPEJWJTK-OAHLLOKOSA-N 1 0 326.444 3.242 20 70 EGIDRO C[C@@H](C(=O)NC[C@H](C)[N@H+](C)C1CC1)c1ccc(Br)cc1 ZINC000161309986 455558324 /nfs/dbraw/zinc/55/83/24/455558324.db2.gz DNSOTWZEZLKDGQ-NWDGAFQWSA-N 1 0 339.277 3.152 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000161319422 455559399 /nfs/dbraw/zinc/55/93/99/455559399.db2.gz XOLKDOPPBQUWBD-VXGBXAGGSA-N 1 0 337.217 3.195 20 70 EGIDRO CC(=O)NC1CCC([NH2+][C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 ZINC000161366521 455563245 /nfs/dbraw/zinc/56/32/45/455563245.db2.gz ZAQPSGPXPNEVIU-BTRQGYIVSA-N 1 0 334.435 3.083 20 70 EGIDRO CCOC(=O)[C@H]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)C[C@@H]1C ZINC000161482510 455573750 /nfs/dbraw/zinc/57/37/50/455573750.db2.gz NOMKNYDCULBJNP-XSLAGTTESA-N 1 0 348.487 3.374 20 70 EGIDRO Cc1ccc(OC2CCN(C(=O)[C@@]3(C)CCC[NH2+]C3)CC2)cc1C ZINC000161484232 455574404 /nfs/dbraw/zinc/57/44/04/455574404.db2.gz KSDLDUYVHRXONQ-FQEVSTJZSA-N 1 0 330.472 3.063 20 70 EGIDRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C)cc1C ZINC000217141932 456031497 /nfs/dbraw/zinc/03/14/97/456031497.db2.gz OVKVIDTZSPSVTE-DGCLKSJQSA-N 1 0 338.473 3.340 20 70 EGIDRO CC(C)[NH2+]C1CCN([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000160498993 536296348 /nfs/dbraw/zinc/29/63/48/536296348.db2.gz PXWZUSCEJLIPNT-GOSISDBHSA-N 1 0 349.906 3.298 20 70 EGIDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C[C@H](c2ccccc2)C1 ZINC000160627139 546948567 /nfs/dbraw/zinc/94/85/67/546948567.db2.gz HXNKATDAZWZKKU-NWANDNLSSA-N 1 0 328.378 3.227 20 70 EGIDRO O=C(C[NH2+][C@@H]1CCc2c1ccc(Cl)c2Cl)NCC(F)(F)F ZINC000160623416 546949066 /nfs/dbraw/zinc/94/90/66/546949066.db2.gz AIDDYSCERQBTLT-SNVBAGLBSA-N 1 0 341.160 3.249 20 70 EGIDRO C[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1)c1ccc2ccccc2c1 ZINC000160879033 546951205 /nfs/dbraw/zinc/95/12/05/546951205.db2.gz CONOFFKTQPVBFX-AVYPCKFXSA-N 1 0 340.467 3.108 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1sc(C(C)(C)C)nc1C)CC2 ZINC000160497820 282127576 /nfs/dbraw/zinc/12/75/76/282127576.db2.gz HPBDJMYZWQBWQK-ZWNOBZJWSA-N 1 0 333.505 3.315 20 70 EGIDRO CC(C)c1ccccc1OCCC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000159452762 206246885 /nfs/dbraw/zinc/24/68/85/206246885.db2.gz CAQPDAWHAPFVDW-DLBZAZTESA-N 1 0 330.472 3.274 20 70 EGIDRO CCC(CC)(C[NH2+]CC(=O)Nc1sc(C)c(C)c1C)C(=O)OC ZINC000159652104 206257274 /nfs/dbraw/zinc/25/72/74/206257274.db2.gz IVXRERQPRMJIID-UHFFFAOYSA-N 1 0 340.489 3.181 20 70 EGIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(Br)s1 ZINC000159492542 206248915 /nfs/dbraw/zinc/24/89/15/206248915.db2.gz RXDSZMXMGKFRDL-JTQLQIEISA-N 1 0 331.279 3.174 20 70 EGIDRO Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000159843909 206267687 /nfs/dbraw/zinc/26/76/87/206267687.db2.gz OYLUBSWEJYGJMH-MDOVXXIYSA-N 1 0 326.488 3.307 20 70 EGIDRO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159883208 206268415 /nfs/dbraw/zinc/26/84/15/206268415.db2.gz RSQUSVCXAWHZCW-JKSUJKDBSA-N 1 0 334.410 3.059 20 70 EGIDRO CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCCCO2)c2cccs2)CC1 ZINC000159970580 206273038 /nfs/dbraw/zinc/27/30/38/206273038.db2.gz ITOHXKMNFIAIRO-HZPDHXFCSA-N 1 0 336.501 3.206 20 70 EGIDRO CCCCOc1c(Cl)cc(C(=O)N2CCC[C@H]2C[NH3+])cc1OC ZINC000160341003 206291811 /nfs/dbraw/zinc/29/18/11/206291811.db2.gz JYXLZOZVRXOSJF-ZDUSSCGKSA-N 1 0 340.851 3.091 20 70 EGIDRO CSCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160374886 206293511 /nfs/dbraw/zinc/29/35/11/206293511.db2.gz FFHWFTZLJFIYLH-SJLPKXTDSA-N 1 0 349.544 3.434 20 70 EGIDRO C[C@@H](C[NH2+][C@@H](C)c1cnccn1)Oc1ccccc1Br ZINC000160379250 206293824 /nfs/dbraw/zinc/29/38/24/206293824.db2.gz COSYTVZMSNDYLO-RYUDHWBXSA-N 1 0 336.233 3.357 20 70 EGIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000160395609 206294042 /nfs/dbraw/zinc/29/40/42/206294042.db2.gz MUJXFSOJUWUONH-CQSZACIVSA-N 1 0 334.341 3.334 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCCc3occc32)CC1 ZINC000160432667 206297558 /nfs/dbraw/zinc/29/75/58/206297558.db2.gz NSRYDNGGZDJDRI-QGZVFWFLSA-N 1 0 333.476 3.420 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1cccc(OCc2ccccc2)c1 ZINC000160905317 206317527 /nfs/dbraw/zinc/31/75/27/206317527.db2.gz KNOKTCJPCAKAKF-INIZCTEOSA-N 1 0 326.440 3.441 20 70 EGIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000160944726 206319316 /nfs/dbraw/zinc/31/93/16/206319316.db2.gz RIAUZLKKLRHQGK-JTDSTZFVSA-N 1 0 332.488 3.460 20 70 EGIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000160965197 206321434 /nfs/dbraw/zinc/32/14/34/206321434.db2.gz SIVPKCTYOLHSLW-HNAYVOBHSA-N 1 0 340.423 3.418 20 70 EGIDRO OCC[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)c1ccccc1 ZINC000160986934 206322568 /nfs/dbraw/zinc/32/25/68/206322568.db2.gz KRVXGLGREKIQJV-JOCHJYFZSA-N 1 0 338.495 3.407 20 70 EGIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000161311051 206340370 /nfs/dbraw/zinc/34/03/70/206340370.db2.gz XNZYKUPXBMXKBF-ZDUSSCGKSA-N 1 0 346.862 3.047 20 70 EGIDRO FC(F)(F)COc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161338105 206341204 /nfs/dbraw/zinc/34/12/04/206341204.db2.gz HFIXCJXWQOEAAD-UHFFFAOYSA-N 1 0 345.361 3.403 20 70 EGIDRO CCN(CC1CC1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161357143 206343362 /nfs/dbraw/zinc/34/33/62/206343362.db2.gz PHUADRGNSDTLGO-HNNXBMFYSA-N 1 0 330.476 3.049 20 70 EGIDRO COc1ccc(CCC(=O)NCC[NH2+]C2CCCCCC2)cc1F ZINC000159635115 140942801 /nfs/dbraw/zinc/94/28/01/140942801.db2.gz MYPVRRDUPKRLPC-UHFFFAOYSA-N 1 0 336.451 3.196 20 70 EGIDRO COc1ccc(C(C)(C)C[NH2+]C2CCC(NC(C)=O)CC2)cc1OC ZINC000161427265 140973543 /nfs/dbraw/zinc/97/35/43/140973543.db2.gz WFZXIQMFNYUYPG-UHFFFAOYSA-N 1 0 348.487 3.018 20 70 EGIDRO CC(C)CO[C@@H](C)c1noc(CN(C)CCC[NH+]2CCCCC2)n1 ZINC000161349458 264892637 /nfs/dbraw/zinc/89/26/37/264892637.db2.gz PFHLKNSOKAGOHB-INIZCTEOSA-N 1 0 338.496 3.111 20 70 EGIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)N1CCc2ccc(OC)cc2C1 ZINC000217182178 266194611 /nfs/dbraw/zinc/19/46/11/266194611.db2.gz YZNXDIUZBWCQRE-GOSISDBHSA-N 1 0 345.487 3.027 20 70 EGIDRO C[C@@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)c2ccccc21 ZINC000159759962 274317788 /nfs/dbraw/zinc/31/77/88/274317788.db2.gz BQKMPDBTZWCMGA-XPGWFJOJSA-N 1 0 342.483 3.385 20 70 EGIDRO C[NH+](C)Cc1ccc(CNC(=O)C(C)(C)c2cccc(F)c2)cc1 ZINC000159641974 307876936 /nfs/dbraw/zinc/87/69/36/307876936.db2.gz BHLCDSBHQWHODS-UHFFFAOYSA-N 1 0 328.431 3.481 20 70 EGIDRO Cc1ccc2c(CC(=O)N3CCC([NH2+]CC4CC4)CC3)coc2c1 ZINC000159793077 307880104 /nfs/dbraw/zinc/88/01/04/307880104.db2.gz LJQCTGWSELTXPG-UHFFFAOYSA-N 1 0 326.440 3.274 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@H](C(CC)CC)[NH+](C)C)c1C ZINC000160165816 307885704 /nfs/dbraw/zinc/88/57/04/307885704.db2.gz HJERFBBVXAVNOO-QGZVFWFLSA-N 1 0 337.512 3.480 20 70 EGIDRO Cc1cc(Br)cc2cc(C(=O)NCCC[NH+](C)C)oc21 ZINC000160559089 307891616 /nfs/dbraw/zinc/89/16/16/307891616.db2.gz VGRSFJLPSGWZSH-UHFFFAOYSA-N 1 0 339.233 3.185 20 70 EGIDRO CC(C)[NH+]1CCC(C(=O)NCCc2csc(C(C)(C)C)n2)CC1 ZINC000160606224 307892560 /nfs/dbraw/zinc/89/25/60/307892560.db2.gz IANQYMAQXDZNCB-UHFFFAOYSA-N 1 0 337.533 3.220 20 70 EGIDRO COCCOc1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000161122090 307898972 /nfs/dbraw/zinc/89/89/72/307898972.db2.gz DZTHZIOAGJZZEQ-HNNXBMFYSA-N 1 0 343.423 3.334 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000159612584 455389312 /nfs/dbraw/zinc/38/93/12/455389312.db2.gz VPTVORHUEMWQTL-INIZCTEOSA-N 1 0 333.476 3.272 20 70 EGIDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000159650913 455392754 /nfs/dbraw/zinc/39/27/54/455392754.db2.gz OQNXWCMLNGRSJK-OAHLLOKOSA-N 1 0 335.245 3.315 20 70 EGIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000159750689 455400183 /nfs/dbraw/zinc/40/01/83/455400183.db2.gz DQJFLZKEWFPOFL-CYBMUJFWSA-N 1 0 333.863 3.354 20 70 EGIDRO C[N@H+](CC(=O)N(Cc1ccc(F)cc1)CC1CC1)[C@@H]1CCSC1 ZINC000159963282 455419450 /nfs/dbraw/zinc/41/94/50/455419450.db2.gz WOQAPKZPHWAVSR-QGZVFWFLSA-N 1 0 336.476 3.002 20 70 EGIDRO Cc1csc(CCCC[NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)n1 ZINC000160702118 455489819 /nfs/dbraw/zinc/48/98/19/455489819.db2.gz KSVWGLQBKNPNKD-AWEZNQCLSA-N 1 0 342.472 3.101 20 70 EGIDRO Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000159531858 455383158 /nfs/dbraw/zinc/38/31/58/455383158.db2.gz FHPKITKWLLSWCX-ZWKOTPCHSA-N 1 0 330.472 3.098 20 70 EGIDRO Cc1c(Br)cccc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159655849 455393257 /nfs/dbraw/zinc/39/32/57/455393257.db2.gz VCXNWMCJVNGVBR-UHFFFAOYSA-N 1 0 325.250 3.149 20 70 EGIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159687123 455395695 /nfs/dbraw/zinc/39/56/95/455395695.db2.gz MSYGMNYNZDQKIO-WQVCFCJDSA-N 1 0 340.389 3.237 20 70 EGIDRO CC[C@H]([NH3+])C(=O)N[C@H]1CCCc2nc(-c3ccc(OC)cc3)sc21 ZINC000159701205 455396842 /nfs/dbraw/zinc/39/68/42/455396842.db2.gz PSKXCLDOQBIVAA-KBPBESRZSA-N 1 0 345.468 3.050 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000159821482 455407075 /nfs/dbraw/zinc/40/70/75/455407075.db2.gz WLVCWQJULBYVTR-GOSISDBHSA-N 1 0 333.451 3.404 20 70 EGIDRO C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccsc1 ZINC000159842049 455408961 /nfs/dbraw/zinc/40/89/61/455408961.db2.gz KBNKDNWAFGQNKW-OAHLLOKOSA-N 1 0 336.501 3.003 20 70 EGIDRO C[N@H+](CCCOc1cccc(S(C)(=O)=O)c1)CCC1CCCC1 ZINC000159841554 455409547 /nfs/dbraw/zinc/40/95/47/455409547.db2.gz SSDYSEOASNLSQW-UHFFFAOYSA-N 1 0 339.501 3.371 20 70 EGIDRO C[C@@H](O)C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000160222911 455439675 /nfs/dbraw/zinc/43/96/75/455439675.db2.gz OUUSFEMBBJKLJA-OXQOHEQNSA-N 1 0 340.467 3.033 20 70 EGIDRO COC(=O)c1cccc(OCC[N@@H+]2CCC[C@H]2c2cccc(C)n2)c1 ZINC000160257422 455442414 /nfs/dbraw/zinc/44/24/14/455442414.db2.gz RPJSKTZAWDBCSE-IBGZPJMESA-N 1 0 340.423 3.393 20 70 EGIDRO C[C@H]([NH2+]CCN1CCN(c2cccc(Cl)c2)CC1)c1cccnc1 ZINC000160293046 455445071 /nfs/dbraw/zinc/44/50/71/455445071.db2.gz JMAHSZDPXIGPOO-INIZCTEOSA-N 1 0 344.890 3.208 20 70 EGIDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000160499814 455466483 /nfs/dbraw/zinc/46/64/83/455466483.db2.gz WCPXOKOKRNVXSZ-STQMWFEESA-N 1 0 341.293 3.399 20 70 EGIDRO CC(C)(NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000160626246 455482310 /nfs/dbraw/zinc/48/23/10/455482310.db2.gz BGMNPPPRVPTTHI-MRXNPFEDSA-N 1 0 335.879 3.359 20 70 EGIDRO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160645975 455484400 /nfs/dbraw/zinc/48/44/00/455484400.db2.gz VWCPRDVFCQJILQ-UZLBHIALSA-N 1 0 341.499 3.481 20 70 EGIDRO CC[N@H+](CCNC(=O)[C@H](C)c1ccc(Br)cc1)C(C)C ZINC000160810901 455501082 /nfs/dbraw/zinc/50/10/82/455501082.db2.gz QTBWDPMMHNUHCR-CYBMUJFWSA-N 1 0 341.293 3.399 20 70 EGIDRO C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000160951246 455517682 /nfs/dbraw/zinc/51/76/82/455517682.db2.gz LHIDNLLMWUJSRZ-ZDUSSCGKSA-N 1 0 330.453 3.201 20 70 EGIDRO Cc1cc(CCC(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000161003386 455522994 /nfs/dbraw/zinc/52/29/94/455522994.db2.gz DVHIDSYKHMCLHE-ZIAGYGMSSA-N 1 0 339.277 3.076 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000161009604 455523522 /nfs/dbraw/zinc/52/35/22/455523522.db2.gz IJESLZHWSWYQFG-CHWSQXEVSA-N 1 0 335.860 3.463 20 70 EGIDRO C[C@H](C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1c(F)cccc1F ZINC000161074947 455529863 /nfs/dbraw/zinc/52/98/63/455529863.db2.gz OGWFYOOTCAZTTH-GOEBONIOSA-N 1 0 346.421 3.357 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCOc2cccc3ccccc32)C1 ZINC000161098084 455533024 /nfs/dbraw/zinc/53/30/24/455533024.db2.gz UIRIFPJNKVDPSR-SJORKVTESA-N 1 0 326.440 3.385 20 70 EGIDRO Cc1nc2cc(NC(=O)NC3CCC(C[NH+](C)C)CC3)ccc2o1 ZINC000161102579 455533944 /nfs/dbraw/zinc/53/39/44/455533944.db2.gz SOYCAUPDBSJSAQ-UHFFFAOYSA-N 1 0 330.432 3.378 20 70 EGIDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000161183465 455545586 /nfs/dbraw/zinc/54/55/86/455545586.db2.gz DYMDTARWHSPQAR-QWHCGFSZSA-N 1 0 337.261 3.114 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)n1 ZINC000161219301 455549635 /nfs/dbraw/zinc/54/96/35/455549635.db2.gz SQPCLIZHDXBDKS-UHFFFAOYSA-N 1 0 343.475 3.313 20 70 EGIDRO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161222977 455549841 /nfs/dbraw/zinc/54/98/41/455549841.db2.gz YBOOUENHLRVGLY-CABCVRRESA-N 1 0 329.469 3.042 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000161268641 455553557 /nfs/dbraw/zinc/55/35/57/455553557.db2.gz XPGSUTHQZSEQOG-MSOLQXFVSA-N 1 0 342.414 3.404 20 70 EGIDRO CCc1nc(-c2ccccc2NC(=O)c2cccc(C[NH+](C)C)c2)n[nH]1 ZINC000161286644 455555701 /nfs/dbraw/zinc/55/57/01/455555701.db2.gz JSTZOVLMMYHUBR-UHFFFAOYSA-N 1 0 349.438 3.348 20 70 EGIDRO FC(F)CN1CCC([NH2+][C@@H]2CCOc3c(Cl)cccc32)CC1 ZINC000161281355 455556030 /nfs/dbraw/zinc/55/60/30/455556030.db2.gz BCEONLUQIBGDKI-CQSZACIVSA-N 1 0 330.806 3.483 20 70 EGIDRO CN(C(=O)CCCc1nc2ccccc2s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161358663 455562561 /nfs/dbraw/zinc/56/25/61/455562561.db2.gz ACZLNDIOQPZMTG-YIONKMFJSA-N 1 0 343.496 3.360 20 70 EGIDRO CC[C@H](C)[N@H+](C)CCNC(=O)CSc1nccc2ccccc21 ZINC000161390944 455565852 /nfs/dbraw/zinc/56/58/52/455565852.db2.gz SHYQNUYBUSVFKK-AWEZNQCLSA-N 1 0 331.485 3.173 20 70 EGIDRO C[C@H]1CCC[C@@](CNC(=O)c2c(F)cc(F)cc2F)([NH+](C)C)C1 ZINC000161415119 455568817 /nfs/dbraw/zinc/56/88/17/455568817.db2.gz UENUZYACYMDDLX-APPDUMDISA-N 1 0 328.378 3.344 20 70 EGIDRO CC[C@@H]([NH3+])C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000161478104 455573795 /nfs/dbraw/zinc/57/37/95/455573795.db2.gz YKTOXVRZPGLYIJ-SJORKVTESA-N 1 0 332.831 3.292 20 70 EGIDRO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@@H]3CCCC[C@@H]32)cc1 ZINC000216627834 456030475 /nfs/dbraw/zinc/03/04/75/456030475.db2.gz KHOCGPCRRNYPJT-HKUYNNGSSA-N 1 0 330.472 3.308 20 70 EGIDRO C[C@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)NC(=O)NC1CCCCC1 ZINC000217461232 456033476 /nfs/dbraw/zinc/03/34/76/456033476.db2.gz QRBMKXHNNKJCSU-KSSFIOAISA-N 1 0 343.471 3.274 20 70 EGIDRO CC(C)(CNC(=O)[C@@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1Cl ZINC000160042270 527150127 /nfs/dbraw/zinc/15/01/27/527150127.db2.gz JJMLRDPZRHIDHY-KRWDZBQOSA-N 1 0 348.849 3.443 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)Cc1ccccc1Br ZINC000161253570 528650505 /nfs/dbraw/zinc/65/05/05/528650505.db2.gz MWJMEKRGZPFZQL-GFCCVEGCSA-N 1 0 341.293 3.261 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1sc2cccc(F)c2c1COC ZINC000160432399 528947982 /nfs/dbraw/zinc/94/79/82/528947982.db2.gz XVEJEOOSSFIMEL-UHFFFAOYSA-N 1 0 338.448 3.434 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3c(C)cc(C)cc31)CC2 ZINC000160518366 538791981 /nfs/dbraw/zinc/79/19/81/538791981.db2.gz RDSFWQGHIMLWEU-DOTOQJQBSA-N 1 0 326.444 3.022 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2cccc(N(C)C)c2)cc1 ZINC000159364626 546936832 /nfs/dbraw/zinc/93/68/32/546936832.db2.gz VDPXXRRMRXSRAH-OAHLLOKOSA-N 1 0 346.496 3.397 20 70 EGIDRO C[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000159741976 546940603 /nfs/dbraw/zinc/94/06/03/546940603.db2.gz LRYOYABFNSPZNB-CQSZACIVSA-N 1 0 338.455 3.347 20 70 EGIDRO CCn1nccc1C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160012642 546942483 /nfs/dbraw/zinc/94/24/83/546942483.db2.gz SWNCKYKYQUAVSH-CYBMUJFWSA-N 1 0 327.432 3.038 20 70 EGIDRO C[C@H](CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000160608368 546948787 /nfs/dbraw/zinc/94/87/87/546948787.db2.gz GCPRNWJOBUBULT-XLIONFOSSA-N 1 0 337.467 3.356 20 70 EGIDRO CC[C@@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1ccc(Cl)cc1 ZINC000218038777 547240585 /nfs/dbraw/zinc/24/05/85/547240585.db2.gz NNHFFHZXAUZBMY-SWLSCSKDSA-N 1 0 339.867 3.251 20 70 EGIDRO COc1ccc(OCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000216734676 574917111 /nfs/dbraw/zinc/91/71/11/574917111.db2.gz AVGKTUXNEGGHEZ-HXUWFJFHSA-N 1 0 326.440 3.063 20 70 EGIDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)[C@H]1CCOC1 ZINC000159566902 206252980 /nfs/dbraw/zinc/25/29/80/206252980.db2.gz PBATVBYMHNAVIZ-KPFFTGBYSA-N 1 0 338.451 3.251 20 70 EGIDRO C[C@@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc(Br)c1 ZINC000159760641 206262826 /nfs/dbraw/zinc/26/28/26/206262826.db2.gz UOUQADPNGKSRBU-GFCCVEGCSA-N 1 0 339.277 3.406 20 70 EGIDRO COc1cc([C@H](C)[NH2+][C@@H](C)CC(=O)N(C)C)ccc1OCC(C)C ZINC000160019059 206276079 /nfs/dbraw/zinc/27/60/79/206276079.db2.gz LVAOMPNTIMMAJY-GJZGRUSLSA-N 1 0 336.476 3.247 20 70 EGIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cccc(NC(C)=O)c2)c1 ZINC000160155278 206282400 /nfs/dbraw/zinc/28/24/00/206282400.db2.gz GMWZTUMGTFRFEZ-AWEZNQCLSA-N 1 0 339.439 3.246 20 70 EGIDRO C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccccc2O)CC1 ZINC000160152437 206282708 /nfs/dbraw/zinc/28/27/08/206282708.db2.gz KDROOVNDOKJUPO-KRWDZBQOSA-N 1 0 344.499 3.438 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCSc3ccc(Cl)cc31)CC2 ZINC000160424092 206295404 /nfs/dbraw/zinc/29/54/04/206295404.db2.gz ZOJMKEMZXQMJBC-OCCSQVGLSA-N 1 0 334.876 3.381 20 70 EGIDRO Cc1cc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1N(C)C ZINC000160792193 206313496 /nfs/dbraw/zinc/31/34/96/206313496.db2.gz AIYGCTNPAMYLPA-QAPCUYQASA-N 1 0 330.476 3.009 20 70 EGIDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCO[C@@H]2C(C)C)cnn1-c1ccccn1 ZINC000160798258 206314607 /nfs/dbraw/zinc/31/46/07/206314607.db2.gz GRFDSIWKIJYWEQ-IDHHARJASA-N 1 0 328.460 3.287 20 70 EGIDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCO[C@@H]2C(C)C)cnn1-c1ccccn1 ZINC000160798379 206314687 /nfs/dbraw/zinc/31/46/87/206314687.db2.gz GRFDSIWKIJYWEQ-ZSZQSSIHSA-N 1 0 328.460 3.287 20 70 EGIDRO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2cccc(Cl)c2)c1C ZINC000161130654 206330086 /nfs/dbraw/zinc/33/00/86/206330086.db2.gz LJYUJDYIBKBVHW-UHFFFAOYSA-N 1 0 349.862 3.348 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(-c3ccncc3)c1)CC2 ZINC000160575804 206305423 /nfs/dbraw/zinc/30/54/23/206305423.db2.gz KYDYEFKGYMWCCB-LIRRHRJNSA-N 1 0 333.439 3.314 20 70 EGIDRO COC(=O)c1cc(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)ccc1C ZINC000161489428 206351653 /nfs/dbraw/zinc/35/16/53/206351653.db2.gz OPTZTERMYBRUGW-CXAGYDPISA-N 1 0 326.396 3.056 20 70 EGIDRO COC(=O)c1cc(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)ccc1C ZINC000161489182 206352052 /nfs/dbraw/zinc/35/20/52/206352052.db2.gz OPTZTERMYBRUGW-DYVFJYSZSA-N 1 0 326.396 3.056 20 70 EGIDRO CC1(C)CCC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)CC1 ZINC000160503126 264875722 /nfs/dbraw/zinc/87/57/22/264875722.db2.gz RCRPPPGMHCAYGD-QZTJIDSGSA-N 1 0 336.520 3.087 20 70 EGIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)C(C3CC3)C3CC3)c2c1 ZINC000160741316 264884202 /nfs/dbraw/zinc/88/42/02/264884202.db2.gz JSRPLRVSZHEKOO-UHFFFAOYSA-N 1 0 340.423 3.258 20 70 EGIDRO O[C@@H](Cc1ccccc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000218679650 266194335 /nfs/dbraw/zinc/19/43/35/266194335.db2.gz CZWLHKBWRFGPGZ-KRWDZBQOSA-N 1 0 330.859 3.066 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccccc1OC(F)(F)F)CC2 ZINC000160339007 279141239 /nfs/dbraw/zinc/14/12/39/279141239.db2.gz YYMHMXKGGHPHPG-JQWIXIFHSA-N 1 0 340.349 3.151 20 70 EGIDRO Cc1ccc([C@H](C[NH2+]C2CCC3(CC2)OCCO3)N2CCCC2)cc1 ZINC000161384979 301797519 /nfs/dbraw/zinc/79/75/19/301797519.db2.gz SDKNRZJMEKSRSU-FQEVSTJZSA-N 1 0 344.499 3.407 20 70 EGIDRO COCCC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000159581465 307875946 /nfs/dbraw/zinc/87/59/46/307875946.db2.gz ZVPQLPKXQDJPTM-LJQANCHMSA-N 1 0 344.499 3.393 20 70 EGIDRO CCC[C@H]([NH3+])C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000161211496 307900133 /nfs/dbraw/zinc/90/01/33/307900133.db2.gz OMTJXOBCQMYFST-AWEZNQCLSA-N 1 0 345.468 3.086 20 70 EGIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000159366829 455372969 /nfs/dbraw/zinc/37/29/69/455372969.db2.gz HNPUTMQOMZTQAS-JLJPHGGASA-N 1 0 331.489 3.377 20 70 EGIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159508954 455381255 /nfs/dbraw/zinc/38/12/55/455381255.db2.gz ZDSNAWOMQKFKFE-UKRRQHHQSA-N 1 0 342.405 3.342 20 70 EGIDRO O=C(NC[C@H]1CCC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000159643485 455392917 /nfs/dbraw/zinc/39/29/17/455392917.db2.gz PBPDKHWOYUXFQX-LBPRGKRZSA-N 1 0 347.256 3.332 20 70 EGIDRO CCC[C@H]([NH3+])C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000159656057 455393795 /nfs/dbraw/zinc/39/37/95/455393795.db2.gz WYXGNJWOKVIKIA-GWCFXTLKSA-N 1 0 345.306 3.173 20 70 EGIDRO CC[C@H](C)N(C)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000160141108 455432309 /nfs/dbraw/zinc/43/23/09/455432309.db2.gz CLXFSKXRZABNIL-SHPPYHEDSA-N 1 0 329.488 3.139 20 70 EGIDRO C[NH+]1CCC(Oc2ccc(NCc3c(F)cccc3F)cn2)CC1 ZINC000160176837 455435077 /nfs/dbraw/zinc/43/50/77/455435077.db2.gz BSPYEZPCTYSXOK-UHFFFAOYSA-N 1 0 333.382 3.445 20 70 EGIDRO CCCNC(=O)C1([NH2+]CCC(=O)c2ccc(C)cc2)CCCCC1 ZINC000160655908 455485092 /nfs/dbraw/zinc/48/50/92/455485092.db2.gz GSAJHNQEICZBDC-UHFFFAOYSA-N 1 0 330.472 3.387 20 70 EGIDRO CCc1ccc([C@@H](CO)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000160792185 455498569 /nfs/dbraw/zinc/49/85/69/455498569.db2.gz RWJFKDZZIVEFRU-QGZVFWFLSA-N 1 0 347.842 3.497 20 70 EGIDRO C[NH+](C)[C@@H](CNC(=O)NC1(c2cccc(F)c2)CC1)c1cccs1 ZINC000160820253 455502691 /nfs/dbraw/zinc/50/26/91/455502691.db2.gz CTFWPIFWPXQVRN-HNNXBMFYSA-N 1 0 347.459 3.478 20 70 EGIDRO C[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cnn(C)c1 ZINC000159571159 455386397 /nfs/dbraw/zinc/38/63/97/455386397.db2.gz UTICZRAZHQHRIP-JXFKEZNVSA-N 1 0 348.450 3.321 20 70 EGIDRO COc1ccc(Br)cc1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159612703 455389056 /nfs/dbraw/zinc/38/90/56/455389056.db2.gz YXQZGARCFFNVCQ-FZMZJTMJSA-N 1 0 328.250 3.051 20 70 EGIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000159653945 455393267 /nfs/dbraw/zinc/39/32/67/455393267.db2.gz DDMQXHJTZXPBFZ-QGZVFWFLSA-N 1 0 344.499 3.442 20 70 EGIDRO CC(C)OCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159719130 455398331 /nfs/dbraw/zinc/39/83/31/455398331.db2.gz CYQIXBSOOMJBQW-PMACEKPBSA-N 1 0 344.499 3.492 20 70 EGIDRO C[NH+](C)C[C@H](NC(=O)Cc1ccc(O)cc1Cl)c1ccccc1 ZINC000159804974 455406055 /nfs/dbraw/zinc/40/60/55/455406055.db2.gz ABYNRWLKJIQBTO-KRWDZBQOSA-N 1 0 332.831 3.007 20 70 EGIDRO Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000159935766 455416583 /nfs/dbraw/zinc/41/65/83/455416583.db2.gz ZERVOQRWDSHTAC-KURKYZTESA-N 1 0 342.508 3.449 20 70 EGIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](OC(C)(C)C)c3ccccc3)CC[C@H]21 ZINC000160089705 455427512 /nfs/dbraw/zinc/42/75/12/455427512.db2.gz VSWQYDMLGDUDRQ-GUDVDZBRSA-N 1 0 344.499 3.486 20 70 EGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2F)n1 ZINC000160109935 455429993 /nfs/dbraw/zinc/42/99/93/455429993.db2.gz PAARJUWIEIMGBO-PXNSSMCTSA-N 1 0 344.430 3.244 20 70 EGIDRO C[C@H](O)C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000160222818 455439921 /nfs/dbraw/zinc/43/99/21/455439921.db2.gz OUUSFEMBBJKLJA-OXJNMPFZSA-N 1 0 340.467 3.033 20 70 EGIDRO COc1cccc(CCC[N@H+](CCO)Cc2ccccc2OC)c1 ZINC000160483875 455464808 /nfs/dbraw/zinc/46/48/08/455464808.db2.gz XIHRRGYWKOIZCU-UHFFFAOYSA-N 1 0 329.440 3.131 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1cnc(-c2ccc(OC)cc2)s1 ZINC000160501640 455466799 /nfs/dbraw/zinc/46/67/99/455466799.db2.gz KCDVSJXNUQBGJA-UHFFFAOYSA-N 1 0 333.457 3.066 20 70 EGIDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cnc2ccccn12 ZINC000160574041 455475572 /nfs/dbraw/zinc/47/55/72/455475572.db2.gz CLHDZKCRJXXTPX-SFHVURJKSA-N 1 0 334.467 3.431 20 70 EGIDRO COC(=O)Nc1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160605686 455479260 /nfs/dbraw/zinc/47/92/60/455479260.db2.gz JTUPKHLCIXIOTH-UHFFFAOYSA-N 1 0 327.384 3.179 20 70 EGIDRO C[C@@H]([NH2+]CC(C)(C)O)c1ccc(OC(F)F)cc1OC(F)F ZINC000160641916 455482817 /nfs/dbraw/zinc/48/28/17/455482817.db2.gz OPFQOCXYXZNMPT-MRVPVSSYSA-N 1 0 325.302 3.311 20 70 EGIDRO CCC(CC)n1ncc(C(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000160925776 455514113 /nfs/dbraw/zinc/51/41/13/455514113.db2.gz VEABMZPMRKXBTQ-LSDHHAIUSA-N 1 0 334.508 3.403 20 70 EGIDRO Cc1noc(C)c1[C@@H](C)CC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000160974019 455519399 /nfs/dbraw/zinc/51/93/99/455519399.db2.gz DZFADFJRRRROJL-WMLDXEAASA-N 1 0 335.492 3.269 20 70 EGIDRO COC(=O)N(C)c1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000161051204 455527605 /nfs/dbraw/zinc/52/76/05/455527605.db2.gz AITMMPKCADVCPN-UHFFFAOYSA-N 1 0 341.411 3.203 20 70 EGIDRO COc1ccc(COCCC[NH2+][C@H]2CCCc3c2cnn3C)cc1 ZINC000161105783 455533948 /nfs/dbraw/zinc/53/39/48/455533948.db2.gz FUJSXFWGJKXBSX-SFHVURJKSA-N 1 0 329.444 3.003 20 70 EGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000161183051 455545410 /nfs/dbraw/zinc/54/54/10/455545410.db2.gz NDKOVBVUCJPTID-YJBOKZPZSA-N 1 0 331.460 3.168 20 70 EGIDRO CCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1(CC)CC ZINC000161318938 455558037 /nfs/dbraw/zinc/55/80/37/455558037.db2.gz ZOAGOQBSDWRLLN-QZTJIDSGSA-N 1 0 348.487 3.458 20 70 EGIDRO Cc1ccc(OCCCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(C)c1 ZINC000161333543 455559755 /nfs/dbraw/zinc/55/97/55/455559755.db2.gz KNCBVAREZQJVPR-GOSISDBHSA-N 1 0 330.472 3.159 20 70 EGIDRO COc1cccc([C@H](CNC(=O)c2ccc(C(C)C)nc2)[NH+](C)C)c1 ZINC000161393741 455565954 /nfs/dbraw/zinc/56/59/54/455565954.db2.gz HSXWJBGSODZLBM-IBGZPJMESA-N 1 0 341.455 3.246 20 70 EGIDRO COc1ccc(OC)c(CC[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000161438117 455570656 /nfs/dbraw/zinc/57/06/56/455570656.db2.gz QSXQFBGPFXYVHI-ZDUSSCGKSA-N 1 0 329.396 3.326 20 70 EGIDRO CC(C)[C@@H]([NH2+]CC(=O)N1CCC[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000161472124 528584118 /nfs/dbraw/zinc/58/41/18/528584118.db2.gz XBQCFKPPSHSXIJ-MGPUTAFESA-N 1 0 346.471 3.003 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCSc3c(Cl)cccc31)CC2 ZINC000160540081 546947603 /nfs/dbraw/zinc/94/76/03/546947603.db2.gz FFDNGCBCHJHXRD-FZMZJTMJSA-N 1 0 334.876 3.381 20 70 EGIDRO Fc1ccc2c(c1)[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000161160411 546953544 /nfs/dbraw/zinc/95/35/44/546953544.db2.gz ADMWIGWTMBVMFH-QGZVFWFLSA-N 1 0 328.435 3.353 20 70 EGIDRO Cc1cc(C)cc(OCC[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000161238898 546954383 /nfs/dbraw/zinc/95/43/83/546954383.db2.gz HHNBKVVDTCIAED-MRXNPFEDSA-N 1 0 337.427 3.009 20 70 EGIDRO CC[C@H]([NH2+][C@@H]1CCCSC1)c1ccccc1OCC(=O)N(C)C ZINC000159614633 529657728 /nfs/dbraw/zinc/65/77/28/529657728.db2.gz RPILIKASDXKWRR-ZBFHGGJFSA-N 1 0 336.501 3.090 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+][C@H]2CCCSC2)cc1Cn1cccn1 ZINC000159624930 533115721 /nfs/dbraw/zinc/11/57/21/533115721.db2.gz RJLYXHWFPRGZOU-PBHICJAKSA-N 1 0 331.485 3.486 20 70 EGIDRO COCCOc1ccc([C@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000160990862 533262571 /nfs/dbraw/zinc/26/25/71/533262571.db2.gz PTMKHACACMWDON-OXJNMPFZSA-N 1 0 329.440 3.486 20 70 EGIDRO CC[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1c(C)nn(C)c1C ZINC000160148119 140953092 /nfs/dbraw/zinc/95/30/92/140953092.db2.gz VKPPBAXLUMNREP-GOSISDBHSA-N 1 0 332.467 3.349 20 70 EGIDRO COCCN(C)CC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000159362545 292426294 /nfs/dbraw/zinc/42/62/94/292426294.db2.gz MNLCCJIOQVKMIL-LBPRGKRZSA-N 1 0 339.530 3.409 20 70 EGIDRO Cc1ccc([C@@H](CNC(=O)Cc2nc(C)sc2C)[NH+]2CCCC2)o1 ZINC000160134291 225345567 /nfs/dbraw/zinc/34/55/67/225345567.db2.gz UQMXUDPECUVKOW-MRXNPFEDSA-N 1 0 347.484 3.157 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000161356731 277284045 /nfs/dbraw/zinc/28/40/45/277284045.db2.gz JZFKTFNCILCSAP-QWHCGFSZSA-N 1 0 328.378 3.409 20 70 EGIDRO CC[C@@H](CC(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000159378044 307872697 /nfs/dbraw/zinc/87/26/97/307872697.db2.gz BEYKRISEBOPBRE-SJORKVTESA-N 1 0 332.488 3.427 20 70 EGIDRO COCCC1(C(=O)NC[C@@H](c2ccccc2)[NH+]2CCC(C)CC2)CC1 ZINC000159581334 307875937 /nfs/dbraw/zinc/87/59/37/307875937.db2.gz ZVPQLPKXQDJPTM-IBGZPJMESA-N 1 0 344.499 3.393 20 70 EGIDRO COC[C@H]([NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1)C1CC1 ZINC000159867693 307881067 /nfs/dbraw/zinc/88/10/67/307881067.db2.gz ZLKJDYSYWSPABC-SFHVURJKSA-N 1 0 342.439 3.184 20 70 EGIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000159996609 307883296 /nfs/dbraw/zinc/88/32/96/307883296.db2.gz SZNPQXRTWZBPOW-GFCCVEGCSA-N 1 0 327.266 3.262 20 70 EGIDRO C[NH+]1CCC(Oc2ccc(NCc3c[nH]nc3C(C)(C)C)cn2)CC1 ZINC000160144418 307885508 /nfs/dbraw/zinc/88/55/08/307885508.db2.gz NPAIPDJAEWOEBF-UHFFFAOYSA-N 1 0 343.475 3.187 20 70 EGIDRO Fc1cc2ncnc(N3CCC[C@H]3C[NH+]3CCCCC3)c2cc1F ZINC000160461043 307890360 /nfs/dbraw/zinc/89/03/60/307890360.db2.gz JSJSWOQECNPSEY-ZDUSSCGKSA-N 1 0 332.398 3.363 20 70 EGIDRO FC(F)CN1CCC([NH2+]CCCc2nc3c(s2)CCCC3)CC1 ZINC000160608883 307892553 /nfs/dbraw/zinc/89/25/53/307892553.db2.gz BGFYEZQKIRNKGR-UHFFFAOYSA-N 1 0 343.487 3.274 20 70 EGIDRO COc1ccc(OC)c([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000161115897 307898769 /nfs/dbraw/zinc/89/87/69/307898769.db2.gz WAFFVWXGMYXHMC-ZDUSSCGKSA-N 1 0 329.396 3.326 20 70 EGIDRO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000159505214 455381754 /nfs/dbraw/zinc/38/17/54/455381754.db2.gz JBWMJIKJVWISSH-HOTGVXAUSA-N 1 0 340.471 3.082 20 70 EGIDRO CCOCCC[N@@H+]1CC[C@@H](Nc2nc(C(C)(C)C)ns2)[C@H](C)C1 ZINC000159516719 455382161 /nfs/dbraw/zinc/38/21/61/455382161.db2.gz MOVKWKRZQIADGR-ZIAGYGMSSA-N 1 0 340.537 3.385 20 70 EGIDRO [NH3+][C@H](CNC(=O)c1ccc2cc(Br)ccc2c1)C1CC1 ZINC000159656222 455393573 /nfs/dbraw/zinc/39/35/73/455393573.db2.gz VQWZFWHCDQRJEM-OAHLLOKOSA-N 1 0 333.229 3.069 20 70 EGIDRO C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCOCC2)c2ccccc21 ZINC000159760376 455402061 /nfs/dbraw/zinc/40/20/61/455402061.db2.gz BQKMPDBTZWCMGA-BEVDRBHNSA-N 1 0 342.483 3.385 20 70 EGIDRO C[C@@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159782962 455403727 /nfs/dbraw/zinc/40/37/27/455403727.db2.gz FOPVPSCQFCXDMH-HNNXBMFYSA-N 1 0 343.446 3.028 20 70 EGIDRO C[C@@H]1C[N@@H+](CCCCNc2nc(C(C)(C)C)ns2)C[C@H](C)O1 ZINC000159915305 455415962 /nfs/dbraw/zinc/41/59/62/455415962.db2.gz NECOQNYSJMQMBY-BETUJISGSA-N 1 0 326.510 3.137 20 70 EGIDRO COc1cccc(CCC[N@@H+]2CCC[C@@H](CNC(=O)C(C)C)C2)c1 ZINC000160214217 455438294 /nfs/dbraw/zinc/43/82/94/455438294.db2.gz GTTJTXDKXCZYJW-SFHVURJKSA-N 1 0 332.488 3.112 20 70 EGIDRO COc1cc([C@@H](C)[NH2+][C@@H](CCO)CSC)ccc1OC(F)F ZINC000160215712 455438722 /nfs/dbraw/zinc/43/87/22/455438722.db2.gz ZPBJCBRGCALEOT-PWSUYJOCSA-N 1 0 335.416 3.061 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)CC2 ZINC000160560410 455474667 /nfs/dbraw/zinc/47/46/67/455474667.db2.gz WIMYOJLDFWFGMW-GWCFXTLKSA-N 1 0 340.349 3.151 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)CC2 ZINC000160560639 455474674 /nfs/dbraw/zinc/47/46/74/455474674.db2.gz WIMYOJLDFWFGMW-MFKMUULPSA-N 1 0 340.349 3.151 20 70 EGIDRO CC(C)[NH+]1CCN(c2ccc(C(=O)Nc3cccc(F)n3)cc2)CC1 ZINC000160701465 455489783 /nfs/dbraw/zinc/48/97/83/455489783.db2.gz GRCAWOAUYWDTCZ-UHFFFAOYSA-N 1 0 342.418 3.003 20 70 EGIDRO Cc1cc(NC(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1N(C)C ZINC000160792069 455498490 /nfs/dbraw/zinc/49/84/90/455498490.db2.gz AIYGCTNPAMYLPA-CRAIPNDOSA-N 1 0 330.476 3.009 20 70 EGIDRO CC(C)(NC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(F)c1 ZINC000160825541 455503025 /nfs/dbraw/zinc/50/30/25/455503025.db2.gz UJAPCTXFRXCTIH-MRXNPFEDSA-N 1 0 333.451 3.377 20 70 EGIDRO COCCN(C)CC[NH2+][C@@H](C)c1sc(-c2ccccc2)nc1C ZINC000159399095 455374236 /nfs/dbraw/zinc/37/42/36/455374236.db2.gz ZQXDABAOZDBHIS-AWEZNQCLSA-N 1 0 333.501 3.347 20 70 EGIDRO COc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1OC(F)F ZINC000159562804 455384937 /nfs/dbraw/zinc/38/49/37/455384937.db2.gz OUHRSBTYCFZNKH-RCBQFDQVSA-N 1 0 339.382 3.344 20 70 EGIDRO Cn1c(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)nc2cc(Cl)ccc21 ZINC000159614916 455389154 /nfs/dbraw/zinc/38/91/54/455389154.db2.gz HIFIPBJHASXOTA-JLZZUVOBSA-N 1 0 331.847 3.274 20 70 EGIDRO CCOCCC1(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000159721424 455398301 /nfs/dbraw/zinc/39/83/01/455398301.db2.gz SJXLGDHLCLXCCB-APWZRJJASA-N 1 0 339.524 3.003 20 70 EGIDRO O=C(CCCCC(=O)N1CCC([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000159773184 455402452 /nfs/dbraw/zinc/40/24/52/455402452.db2.gz LMQJJJQLQQCNIS-UHFFFAOYSA-N 1 0 342.483 3.420 20 70 EGIDRO O=C(c1csc([C@@H]2CCCO2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000159816204 455407392 /nfs/dbraw/zinc/40/73/92/455407392.db2.gz IBXFKAKRSUXGBK-INIZCTEOSA-N 1 0 349.500 3.085 20 70 EGIDRO CCCCn1ncc(NC(=O)N(CC[NH+](C)C)C2CCCC2)c1C ZINC000159847190 455408794 /nfs/dbraw/zinc/40/87/94/455408794.db2.gz LLUQFUFWXYGHJA-UHFFFAOYSA-N 1 0 335.496 3.330 20 70 EGIDRO CCOCCC[N@@H+]1CCCN(C(=O)Nc2cccc(Cl)c2)CC1 ZINC000159855252 455410287 /nfs/dbraw/zinc/41/02/87/455410287.db2.gz MWTZIMKJKRKUND-UHFFFAOYSA-N 1 0 339.867 3.306 20 70 EGIDRO COc1cccc(C2(NC(=O)NC[C@H](C)[N@@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000160269666 455442369 /nfs/dbraw/zinc/44/23/69/455442369.db2.gz KUNJDCYTKJPSBP-HOTGVXAUSA-N 1 0 345.487 3.104 20 70 EGIDRO C[C@]1(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCCS1 ZINC000160310068 455447070 /nfs/dbraw/zinc/44/70/70/455447070.db2.gz ZNOBACQYONRXSZ-IEBWSBKVSA-N 1 0 347.528 3.408 20 70 EGIDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@@H]2CC(C)C)cc1 ZINC000160331473 455448666 /nfs/dbraw/zinc/44/86/66/455448666.db2.gz AEIAGJONCUSANF-MOPGFXCFSA-N 1 0 348.487 3.285 20 70 EGIDRO CSC[C@@H](CCO)[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000160426170 455457680 /nfs/dbraw/zinc/45/76/80/455457680.db2.gz RVJJLRBPYDEXIT-RISCZKNCSA-N 1 0 335.391 3.276 20 70 EGIDRO CSc1nc2ncnc(N3CCC[C@H]3C[NH+]3CCCCC3)c2s1 ZINC000160433185 455458066 /nfs/dbraw/zinc/45/80/66/455458066.db2.gz UYTOUJNZGGVQBO-LBPRGKRZSA-N 1 0 349.529 3.263 20 70 EGIDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000160533187 455470936 /nfs/dbraw/zinc/47/09/36/455470936.db2.gz PKBLRSNCNGMLOB-LMMKCTJWSA-N 1 0 330.520 3.280 20 70 EGIDRO CCCOc1ccc(CN(CCC)Cc2nncn2C)cc1OC ZINC000160716034 455491041 /nfs/dbraw/zinc/49/10/41/455491041.db2.gz RMFZUBNZXOMJFP-UHFFFAOYSA-N 1 0 332.448 3.025 20 70 EGIDRO C[C@]1(CNc2ncnc3nc(N)ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000160802636 455499873 /nfs/dbraw/zinc/49/98/73/455499873.db2.gz ACVKIPPQKIDGSM-HXUWFJFHSA-N 1 0 348.454 3.074 20 70 EGIDRO COc1ccc(CCCNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000160810726 455500795 /nfs/dbraw/zinc/50/07/95/455500795.db2.gz LZSFOQKUJMOWJA-UHFFFAOYSA-N 1 0 326.440 3.119 20 70 EGIDRO CC(C)CSCCCNC(=O)c1ccc(Cn2ccnc2)cc1 ZINC000160840968 455505123 /nfs/dbraw/zinc/50/51/23/455505123.db2.gz ABVMVOKOKPJSGH-UHFFFAOYSA-N 1 0 331.485 3.441 20 70 EGIDRO CC1(C)CCC(C(=O)N2CCC(OCC[NH+]3CCCC3)CC2)CC1 ZINC000160876655 455507311 /nfs/dbraw/zinc/50/73/11/455507311.db2.gz LJEWWMBJGNYERV-UHFFFAOYSA-N 1 0 336.520 3.306 20 70 EGIDRO CSCC[C@@H]([NH3+])C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160882394 455508163 /nfs/dbraw/zinc/50/81/63/455508163.db2.gz CRNJWDHWPGPXKE-MRXNPFEDSA-N 1 0 340.920 3.202 20 70 EGIDRO CCCOc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1OCCC ZINC000160917140 455512983 /nfs/dbraw/zinc/51/29/83/455512983.db2.gz UIEHNPBLMUVMPT-CVEARBPZSA-N 1 0 334.460 3.264 20 70 EGIDRO CC(C)[NH+](CCSCCS(=O)(=O)c1ccccc1)C(C)C ZINC000161007418 455523135 /nfs/dbraw/zinc/52/31/35/455523135.db2.gz RHUHSCKHUNUJNY-UHFFFAOYSA-N 1 0 329.531 3.312 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000161009398 455523435 /nfs/dbraw/zinc/52/34/35/455523435.db2.gz IJESLZHWSWYQFG-QWHCGFSZSA-N 1 0 335.860 3.463 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)n1 ZINC000161012380 455524449 /nfs/dbraw/zinc/52/44/49/455524449.db2.gz SANGZUYSUJRTPM-CQSZACIVSA-N 1 0 349.504 3.415 20 70 EGIDRO CC(C)c1ccc(C(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000161099090 455532576 /nfs/dbraw/zinc/53/25/76/455532576.db2.gz XJFKIMQASDFAMS-SFHVURJKSA-N 1 0 325.456 3.108 20 70 EGIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000161108086 455535307 /nfs/dbraw/zinc/53/53/07/455535307.db2.gz DDAMRLNOFGPBQO-LRDDRELGSA-N 1 0 346.862 3.189 20 70 EGIDRO CC(C)CCOc1ccccc1CNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000161120193 455535909 /nfs/dbraw/zinc/53/59/09/455535909.db2.gz VENKECLJGAPSDW-MRXNPFEDSA-N 1 0 341.455 3.187 20 70 EGIDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@H]1CCOC1 ZINC000161143828 455539056 /nfs/dbraw/zinc/53/90/56/455539056.db2.gz ASVWDTZFURXZIV-JLJPHGGASA-N 1 0 340.870 3.458 20 70 EGIDRO C[NH+](C)[C@@H](CNC(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 ZINC000161178509 455544327 /nfs/dbraw/zinc/54/43/27/455544327.db2.gz XZPKZOHJRZNEJS-HNNXBMFYSA-N 1 0 340.320 3.276 20 70 EGIDRO CCc1nc2c(s1)[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000161196283 455546357 /nfs/dbraw/zinc/54/63/57/455546357.db2.gz NZMPXSGAPODAHU-UKRRQHHQSA-N 1 0 343.496 3.377 20 70 EGIDRO Cc1nc2c(s1)[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000161207680 455548850 /nfs/dbraw/zinc/54/88/50/455548850.db2.gz IHUYNBLUSUTUTE-WFASDCNBSA-N 1 0 329.469 3.123 20 70 EGIDRO CC(C)CO[C@H]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000161231714 455550250 /nfs/dbraw/zinc/55/02/50/455550250.db2.gz GTZFPYBDUSXVBT-MAUKXSAKSA-N 1 0 334.435 3.068 20 70 EGIDRO Cn1cc(CCC[N@H+](C)CCCc2cc(-c3ccccc3)n[nH]2)cn1 ZINC000161231561 455550735 /nfs/dbraw/zinc/55/07/35/455550735.db2.gz QGPNILFMFMGDTP-UHFFFAOYSA-N 1 0 337.471 3.307 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(C)(C)C2)CC1 ZINC000161258448 455552819 /nfs/dbraw/zinc/55/28/19/455552819.db2.gz DWWIXDQLGMDJGU-HNNXBMFYSA-N 1 0 330.476 3.049 20 70 EGIDRO COc1ccc(CCC2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)cc1 ZINC000161320505 455559347 /nfs/dbraw/zinc/55/93/47/455559347.db2.gz GIGGPQFBEKDKKH-OAQYLSRUSA-N 1 0 344.499 3.256 20 70 EGIDRO CC(C)CO[C@H](C)c1noc(CN(C)CCC[NH+]2CCCCC2)n1 ZINC000161349568 455562152 /nfs/dbraw/zinc/56/21/52/455562152.db2.gz PFHLKNSOKAGOHB-MRXNPFEDSA-N 1 0 338.496 3.111 20 70 EGIDRO Cc1cc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)n1-c1nccs1 ZINC000161367823 455564077 /nfs/dbraw/zinc/56/40/77/455564077.db2.gz UWSZXEUVGJYWOR-LRDDRELGSA-N 1 0 346.500 3.009 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(C)cc32)c1 ZINC000161467874 455573145 /nfs/dbraw/zinc/57/31/45/455573145.db2.gz OXYYKALKEIIFDW-AUUYWEPGSA-N 1 0 344.480 3.241 20 70 EGIDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000217142906 456031052 /nfs/dbraw/zinc/03/10/52/456031052.db2.gz FLYVGXHRADMBMI-INIZCTEOSA-N 1 0 342.487 3.192 20 70 EGIDRO Cc1ccc(CCNC(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000217224243 456032895 /nfs/dbraw/zinc/03/28/95/456032895.db2.gz JSUBESJSPGWWTK-SFHVURJKSA-N 1 0 331.504 3.349 20 70 EGIDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)Nc2ccc(N3CCCCC3)nc2)[C@@H]1C ZINC000218740210 456035312 /nfs/dbraw/zinc/03/53/12/456035312.db2.gz PVYBNBDZNVQTOB-JFIYKMOQSA-N 1 0 344.503 3.425 20 70 EGIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000161486947 533895232 /nfs/dbraw/zinc/89/52/32/533895232.db2.gz QDUFJVRDRCTSAQ-MAUKXSAKSA-N 1 0 340.423 3.070 20 70 EGIDRO CS[C@H](C)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000159498454 534055310 /nfs/dbraw/zinc/05/53/10/534055310.db2.gz LTMFHAVWGQZMLJ-UXLLHSPISA-N 1 0 335.517 3.090 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000160480558 528945651 /nfs/dbraw/zinc/94/56/51/528945651.db2.gz NHRGIEAWQGMYFO-KBPBESRZSA-N 1 0 328.378 3.443 20 70 EGIDRO CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 ZINC000159500889 528996000 /nfs/dbraw/zinc/99/60/00/528996000.db2.gz XXBQGFVOEOKHGC-MRXNPFEDSA-N 1 0 328.416 3.323 20 70 EGIDRO C[C@H](CC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000160537921 546948022 /nfs/dbraw/zinc/94/80/22/546948022.db2.gz UNJMPAZRJNFGHI-IAGOWNOFSA-N 1 0 325.456 3.212 20 70 EGIDRO CN(C)[C@H](CNC(=O)N1CCOC2(C1)CCCCCC2)c1ccco1 ZINC000160694883 546949953 /nfs/dbraw/zinc/94/99/53/546949953.db2.gz UAMRIQMPOTWEJB-MRXNPFEDSA-N 1 0 349.475 3.017 20 70 EGIDRO C[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(CCC(F)(F)F)cc1)C2 ZINC000159445966 529831907 /nfs/dbraw/zinc/83/19/07/529831907.db2.gz DWVUSQKZRLXNSZ-JKSUJKDBSA-N 1 0 340.389 3.490 20 70 EGIDRO C[C@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218245505 241309021 /nfs/dbraw/zinc/30/90/21/241309021.db2.gz GMMQYIOEPGNATJ-QWHCGFSZSA-N 1 0 325.478 3.441 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)C1 ZINC000160481626 532951412 /nfs/dbraw/zinc/95/14/12/532951412.db2.gz MGODJSCLVGZLPX-RPTYSRGTSA-N 1 0 330.375 3.132 20 70 EGIDRO C[C@@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000160216785 533329941 /nfs/dbraw/zinc/32/99/41/533329941.db2.gz WYUHRCSOUZAWBK-CYBMUJFWSA-N 1 0 338.517 3.050 20 70 EGIDRO C[C@@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1ccc([S@](C)=O)cc1 ZINC000160130424 533391786 /nfs/dbraw/zinc/39/17/86/533391786.db2.gz DIQXIMZQJZPCQU-OYLFLEFRSA-N 1 0 348.487 3.346 20 70 EGIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000159409769 533649311 /nfs/dbraw/zinc/64/93/11/533649311.db2.gz CWAHFICBTIFOLA-CABCVRRESA-N 1 0 328.412 3.119 20 70 EGIDRO Cc1cc(C)cc(OCC[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)c1 ZINC000161254438 152772491 /nfs/dbraw/zinc/77/24/91/152772491.db2.gz ZYQDMVCGJQENKR-MRXNPFEDSA-N 1 0 337.427 3.009 20 70 EGIDRO COc1cccc(/C(C)=C/C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159825955 225284472 /nfs/dbraw/zinc/28/44/72/225284472.db2.gz VGSSAEATNUAEMJ-NTCAYCPXSA-N 1 0 328.456 3.089 20 70 EGIDRO Cc1cc(NC(=O)[C@H]2CCC[C@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000159564966 225242750 /nfs/dbraw/zinc/24/27/50/225242750.db2.gz CSXSIJKNYNAPFN-RYUDHWBXSA-N 1 0 330.350 3.392 20 70 EGIDRO c1sc(-c2ccccn2)nc1C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159642698 225253455 /nfs/dbraw/zinc/25/34/55/225253455.db2.gz IHXGRSCMPYZQRV-BMFZPTHFSA-N 1 0 327.453 3.252 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccccc1OC(F)(F)F)CC2 ZINC000160338900 225389760 /nfs/dbraw/zinc/38/97/60/225389760.db2.gz YYMHMXKGGHPHPG-CMPLNLGQSA-N 1 0 340.349 3.151 20 70 EGIDRO C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)Cc2ccccc2O)CC1 ZINC000160152320 225349423 /nfs/dbraw/zinc/34/94/23/225349423.db2.gz KDROOVNDOKJUPO-QGZVFWFLSA-N 1 0 344.499 3.438 20 70 EGIDRO CC(=O)Nc1ccccc1C[NH2+]C[C@H](c1ccc(C)o1)N1CCCC1 ZINC000160378378 277089891 /nfs/dbraw/zinc/08/98/91/277089891.db2.gz ULOARGKIHFOVER-LJQANCHMSA-N 1 0 341.455 3.473 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)CSCc1ccc(Cl)cc1Cl ZINC000161230079 277284086 /nfs/dbraw/zinc/28/40/86/277284086.db2.gz FDAFTKNTFFLWFE-CYBMUJFWSA-N 1 0 347.311 3.437 20 70 EGIDRO CC(=O)NC1CCC([NH2+][C@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000161231254 278089547 /nfs/dbraw/zinc/08/95/47/278089547.db2.gz KJPZKTRYTSVKHR-UHYCVJNDSA-N 1 0 346.471 3.192 20 70 EGIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(C)CC2)CC1 ZINC000161205545 290274221 /nfs/dbraw/zinc/27/42/21/290274221.db2.gz BGMMMBYDYGBWOV-MRXNPFEDSA-N 1 0 330.476 3.049 20 70 EGIDRO [NH3+][C@@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1 ZINC000161083330 295291289 /nfs/dbraw/zinc/29/12/89/295291289.db2.gz SQVBEOXGIKHJMH-SNVBAGLBSA-N 1 0 340.267 3.030 20 70 EGIDRO Cc1ccccc1[C@H](C)[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000159459165 307874262 /nfs/dbraw/zinc/87/42/62/307874262.db2.gz WFBCEXMTQSCZKK-HNNXBMFYSA-N 1 0 333.453 3.128 20 70 EGIDRO OCC[NH2+][C@@H](Cc1ccccc1F)c1ccccc1Br ZINC000159725608 307878515 /nfs/dbraw/zinc/87/85/15/307878515.db2.gz KRMYVWDPZRIYCL-INIZCTEOSA-N 1 0 338.220 3.454 20 70 EGIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160758624 307894482 /nfs/dbraw/zinc/89/44/82/307894482.db2.gz TVEWTTHWOYLPME-RTBURBONSA-N 1 0 347.503 3.136 20 70 EGIDRO CC(C)[NH2+]CCC(=O)Nc1cccc(CSC2CCOCC2)c1 ZINC000160999667 307897356 /nfs/dbraw/zinc/89/73/56/307897356.db2.gz OEEJZEJHHQTDEH-UHFFFAOYSA-N 1 0 336.501 3.425 20 70 EGIDRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000161290777 307901333 /nfs/dbraw/zinc/90/13/33/307901333.db2.gz PTLNHLYZVMWZLM-BSIFCXSSSA-N 1 0 334.463 3.414 20 70 EGIDRO CCCN(CC)c1ccc(C(=O)NC2CC[NH+](CC(C)C)CC2)cn1 ZINC000161376428 307902112 /nfs/dbraw/zinc/90/21/12/307902112.db2.gz SNHRACUFPLVKLM-UHFFFAOYSA-N 1 0 346.519 3.168 20 70 EGIDRO O=C(CSc1cccc(C(F)(F)F)c1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000159380934 455373447 /nfs/dbraw/zinc/37/34/47/455373447.db2.gz WPWYJWLFOFIHFR-OAHLLOKOSA-N 1 0 344.402 3.010 20 70 EGIDRO COCCC1(C(=O)NC[C@@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000159670205 455394486 /nfs/dbraw/zinc/39/44/86/455394486.db2.gz QFPPDSDHBOMNNN-HNNXBMFYSA-N 1 0 336.501 3.208 20 70 EGIDRO COc1ccc2c(c1)CCC[C@@H]2CC(=O)NCC1([NH3+])CCCCC1 ZINC000159626166 455390605 /nfs/dbraw/zinc/39/06/05/455390605.db2.gz HNJFVKBEXKISIS-MRXNPFEDSA-N 1 0 330.472 3.283 20 70 EGIDRO C[C@H](C(=O)NCc1ccccc1F)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159766678 455401919 /nfs/dbraw/zinc/40/19/19/455401919.db2.gz OMAPVSSVANCATD-OAHLLOKOSA-N 1 0 343.446 3.028 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(C)cc2OC(C)(C)C)CC1 ZINC000159960924 455418731 /nfs/dbraw/zinc/41/87/31/455418731.db2.gz POJJLNHWAUNYHK-UHFFFAOYSA-N 1 0 347.503 3.410 20 70 EGIDRO COc1cc([C@@H](C)[NH2+][C@H](CCO)CSC)ccc1OC(F)F ZINC000160215954 455438274 /nfs/dbraw/zinc/43/82/74/455438274.db2.gz ZPBJCBRGCALEOT-ZYHUDNBSSA-N 1 0 335.416 3.061 20 70 EGIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000160396149 455453638 /nfs/dbraw/zinc/45/36/38/455453638.db2.gz QBNPDKMJWMWXPH-XJKSGUPXSA-N 1 0 344.459 3.066 20 70 EGIDRO O=C(C[NH2+][C@H]1CCCCc2ccc(Cl)cc21)NCC(F)(F)F ZINC000160575705 455476976 /nfs/dbraw/zinc/47/69/76/455476976.db2.gz HCTKZLPTYWGTHI-ZDUSSCGKSA-N 1 0 334.769 3.376 20 70 EGIDRO Cc1cc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1N(C)C ZINC000160792323 455498510 /nfs/dbraw/zinc/49/85/10/455498510.db2.gz AIYGCTNPAMYLPA-MAUKXSAKSA-N 1 0 330.476 3.009 20 70 EGIDRO COC(=O)c1sc2ccccc2c1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159453991 455378123 /nfs/dbraw/zinc/37/81/23/455378123.db2.gz QSAXRWHHUQOVCF-WFASDCNBSA-N 1 0 333.453 3.281 20 70 EGIDRO CCC[C@H]1CN(C(=O)NCc2cccc(C[NH+](CC)CC)c2)CCO1 ZINC000159904773 455414462 /nfs/dbraw/zinc/41/44/62/455414462.db2.gz PXIQLHDJNRDWRN-IBGZPJMESA-N 1 0 347.503 3.239 20 70 EGIDRO CC[C@H]([NH2+]CCN(C)Cc1ccc(F)cc1)c1c(C)nn(C)c1C ZINC000160147984 455432922 /nfs/dbraw/zinc/43/29/22/455432922.db2.gz VKPPBAXLUMNREP-SFHVURJKSA-N 1 0 332.467 3.349 20 70 EGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000160223597 455439903 /nfs/dbraw/zinc/43/99/03/455439903.db2.gz HYUIIQUQMJKKMJ-ONGXEEELSA-N 1 0 336.270 3.353 20 70 EGIDRO CCCCOc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)cc1OCC ZINC000160357380 455450287 /nfs/dbraw/zinc/45/02/87/455450287.db2.gz QXEVSDZJCRXCMX-CALCHBBNSA-N 1 0 346.471 3.231 20 70 EGIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2nc3ccccc3s2)C[C@@H](C)O1 ZINC000160464776 455462229 /nfs/dbraw/zinc/46/22/29/455462229.db2.gz STEBZDIDCMJKCI-KFWWJZLASA-N 1 0 331.485 3.374 20 70 EGIDRO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1CO ZINC000160478383 455464394 /nfs/dbraw/zinc/46/43/94/455464394.db2.gz RXWKMZUSFPFGPZ-MAUKXSAKSA-N 1 0 348.487 3.447 20 70 EGIDRO Cc1cccc2[nH]cc(CC(=O)NC[C@H]3CCC[N@H+]3CC(C)C)c21 ZINC000160582858 455477584 /nfs/dbraw/zinc/47/75/84/455477584.db2.gz JKIGVBXCWYNXMG-QGZVFWFLSA-N 1 0 327.472 3.255 20 70 EGIDRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cn1 ZINC000160628066 455481969 /nfs/dbraw/zinc/48/19/69/455481969.db2.gz BPRFMLHIXXLNTL-KRWDZBQOSA-N 1 0 342.487 3.147 20 70 EGIDRO CC[N@H+](C)[C@H](C(=O)N(C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000160628157 455482436 /nfs/dbraw/zinc/48/24/36/455482436.db2.gz JMGQQAGPOCKIND-SFHVURJKSA-N 1 0 326.396 3.071 20 70 EGIDRO CC(C)[NH2+]CCC(=O)NCCCc1ccc(Br)cc1F ZINC000160884172 455508279 /nfs/dbraw/zinc/50/82/79/455508279.db2.gz OCUGROPCCAXQLF-UHFFFAOYSA-N 1 0 345.256 3.025 20 70 EGIDRO CC(C)C[C@@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000160898842 455510659 /nfs/dbraw/zinc/51/06/59/455510659.db2.gz CDZIFHIGUSSHLK-HZPDHXFCSA-N 1 0 332.492 3.341 20 70 EGIDRO CCN(C[C@H]1CC[N@H+](Cc2cnc3ccccn23)C1)CC(F)(F)F ZINC000160945750 455516620 /nfs/dbraw/zinc/51/66/20/455516620.db2.gz WIZLRLURSOZMQB-CQSZACIVSA-N 1 0 340.393 3.040 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000160968876 455519497 /nfs/dbraw/zinc/51/94/97/455519497.db2.gz FZOSXLWEAPKOEE-MNOVXSKESA-N 1 0 333.284 3.472 20 70 EGIDRO CC(C)(C)NC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161037619 455525614 /nfs/dbraw/zinc/52/56/14/455525614.db2.gz GWXZGMMLMAKSGC-INIZCTEOSA-N 1 0 341.459 3.250 20 70 EGIDRO COc1cc([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000161056114 455528779 /nfs/dbraw/zinc/52/87/79/455528779.db2.gz KCYODNDBKQANMJ-KBMXLJTQSA-N 1 0 336.476 3.236 20 70 EGIDRO Cc1ccc(C(=O)NCCC[NH+]2CCCCC2)c(Br)c1 ZINC000161089623 455531966 /nfs/dbraw/zinc/53/19/66/455531966.db2.gz ITUIYJBOSIXTQX-UHFFFAOYSA-N 1 0 339.277 3.363 20 70 EGIDRO CC(C)c1ncc(C(=O)NCc2ccccc2OCC[NH+](C)C)s1 ZINC000161091378 455532816 /nfs/dbraw/zinc/53/28/16/455532816.db2.gz NEDZQRBBQHWJPX-UHFFFAOYSA-N 1 0 347.484 3.137 20 70 EGIDRO CS[C@@H]1CCC[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000161123295 455536916 /nfs/dbraw/zinc/53/69/16/455536916.db2.gz OANNUZOJGIFCFR-IAGOWNOFSA-N 1 0 332.513 3.098 20 70 EGIDRO Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000161166534 455543001 /nfs/dbraw/zinc/54/30/01/455543001.db2.gz AJGFCAGSHJSBNX-ZDUSSCGKSA-N 1 0 337.261 3.068 20 70 EGIDRO Cc1ccc(C(=O)N(C)CC2CC[NH+](C)CC2)c(Br)c1 ZINC000161167518 455542996 /nfs/dbraw/zinc/54/29/96/455542996.db2.gz JHHUUONQWPEDFJ-UHFFFAOYSA-N 1 0 339.277 3.171 20 70 EGIDRO CCC[NH+]1CCC(NC(=O)CCc2ccc(Cl)c(OC)c2)CC1 ZINC000161187605 455545294 /nfs/dbraw/zinc/54/52/94/455545294.db2.gz QNFWASRZCJEMNZ-UHFFFAOYSA-N 1 0 338.879 3.272 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000161194867 455546368 /nfs/dbraw/zinc/54/63/68/455546368.db2.gz DSNOOZJPHANUEZ-INIZCTEOSA-N 1 0 335.496 3.029 20 70 EGIDRO CCC[N@H+](CCO)Cc1cc(Br)c(OC)c(OCC)c1 ZINC000161217787 455549202 /nfs/dbraw/zinc/54/92/02/455549202.db2.gz CNGKCGMOCDREAS-UHFFFAOYSA-N 1 0 346.265 3.061 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCSc2ccc(Cl)cc2)CC1 ZINC000161229575 455550242 /nfs/dbraw/zinc/55/02/42/455550242.db2.gz DNPBUDBGXBPQMP-UHFFFAOYSA-N 1 0 326.893 3.469 20 70 EGIDRO COc1cc(-c2ccccc2)sc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161287541 455555575 /nfs/dbraw/zinc/55/55/75/455555575.db2.gz POUKGTASKCYQNN-UONOGXRCSA-N 1 0 330.453 3.423 20 70 EGIDRO O=C(N[C@H](COCc1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000161305826 455557694 /nfs/dbraw/zinc/55/76/94/455557694.db2.gz FIENZKYEYVDMOU-WOJBJXKFSA-N 1 0 338.451 3.060 20 70 EGIDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)c1 ZINC000161323279 455559090 /nfs/dbraw/zinc/55/90/90/455559090.db2.gz XFBQDPRKLQPJSA-HWPZZCPQSA-N 1 0 325.330 3.497 20 70 EGIDRO Cc1nccn1CCCC[N@@H+]1CCCN(Cc2ccccc2)CC1 ZINC000161328604 455560218 /nfs/dbraw/zinc/56/02/18/455560218.db2.gz VLVQJYKEJFZNBB-UHFFFAOYSA-N 1 0 326.488 3.180 20 70 EGIDRO CCc1ccccc1C(=O)NC[C@@H](c1cccc(OC)c1)[NH+](C)C ZINC000161353382 455562077 /nfs/dbraw/zinc/56/20/77/455562077.db2.gz CRNMAJBVXPHTMR-IBGZPJMESA-N 1 0 326.440 3.290 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCc3ccc(C)cc32)c1 ZINC000161467728 455572895 /nfs/dbraw/zinc/57/28/95/455572895.db2.gz OXYYKALKEIIFDW-LIRRHRJNSA-N 1 0 344.480 3.241 20 70 EGIDRO COCCC1(C(=O)N2CCC(C[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC000161484877 455574737 /nfs/dbraw/zinc/57/47/37/455574737.db2.gz VZEDLZDSTHCZAI-UHFFFAOYSA-N 1 0 344.499 3.174 20 70 EGIDRO C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159709436 534296732 /nfs/dbraw/zinc/29/67/32/534296732.db2.gz BBPPTNMRVLSBLU-ZETOZRRWSA-N 1 0 345.270 3.413 20 70 EGIDRO O=C(Nc1ccccc1OCc1cccc(Cl)c1)[C@H]1CC[NH2+]C1 ZINC000159624506 534402799 /nfs/dbraw/zinc/40/27/99/534402799.db2.gz ZJHWETGXMGEFLR-AWEZNQCLSA-N 1 0 330.815 3.467 20 70 EGIDRO CC(C)(C)OC(=O)Nc1cccc(C[NH+]2CCC(CC(N)=O)CC2)c1 ZINC000159752933 526496706 /nfs/dbraw/zinc/49/67/06/526496706.db2.gz YATWQVXOGBGNPR-UHFFFAOYSA-N 1 0 347.459 3.121 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CC2(c3ccccc3C)CCOCC2)CC1 ZINC000161358262 526700146 /nfs/dbraw/zinc/70/01/46/526700146.db2.gz HSGFTUDGVPJFJE-UHFFFAOYSA-N 1 0 344.499 3.080 20 70 EGIDRO CC(C)([NH3+])CNC(=O)c1oc2ccccc2c1COc1ccccc1 ZINC000159979400 527255658 /nfs/dbraw/zinc/25/56/58/527255658.db2.gz HDEKLMJZJSJXMX-UHFFFAOYSA-N 1 0 338.407 3.479 20 70 EGIDRO CCOc1ccc2c(c1)[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)CCO2 ZINC000159948478 528621868 /nfs/dbraw/zinc/62/18/68/528621868.db2.gz XFUNLYOONOFWNQ-WMZOPIPTSA-N 1 0 333.453 3.468 20 70 EGIDRO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)NC1CCCCC1 ZINC000216718261 574770422 /nfs/dbraw/zinc/77/04/22/574770422.db2.gz JAZVOXZTTCFKDN-AWEZNQCLSA-N 1 0 332.444 3.075 20 70 EGIDRO CCc1ccc(C(=O)Nc2sccc2C(=O)NCC(C)(C)[NH3+])cc1 ZINC000160112187 529611719 /nfs/dbraw/zinc/61/17/19/529611719.db2.gz WWWCATYRUUWRRR-UHFFFAOYSA-N 1 0 345.468 3.030 20 70 EGIDRO C[N@H+](CCC(=O)Nc1cccc2ccccc21)C[C@@H]1CCC[C@@H]1O ZINC000159528672 529871470 /nfs/dbraw/zinc/87/14/70/529871470.db2.gz JLMBDUJQKMFYJI-LPHOPBHVSA-N 1 0 326.440 3.261 20 70 EGIDRO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1F ZINC000159682746 140945031 /nfs/dbraw/zinc/94/50/31/140945031.db2.gz HQDFIYFTRFQMFW-DLBZAZTESA-N 1 0 336.426 3.497 20 70 EGIDRO COCCOc1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000159949480 225308325 /nfs/dbraw/zinc/30/83/25/225308325.db2.gz DCEWTZRMFJJEPV-KSSFIOAISA-N 1 0 335.469 3.332 20 70 EGIDRO [NH3+]C[C@@H]1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000159644066 225253241 /nfs/dbraw/zinc/25/32/41/225253241.db2.gz YBYDCGKHQVCFSF-LBPRGKRZSA-N 1 0 347.256 3.413 20 70 EGIDRO COCc1cccc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1 ZINC000159676190 225258221 /nfs/dbraw/zinc/25/82/21/225258221.db2.gz KVHIAEVCFMAOLN-UHFFFAOYSA-N 1 0 331.460 3.315 20 70 EGIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000160136427 225347096 /nfs/dbraw/zinc/34/70/96/225347096.db2.gz CLOWWWNUOWJKHJ-IUODEOHRSA-N 1 0 328.378 3.094 20 70 EGIDRO Cc1noc(-c2cccnc2N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160215074 225364499 /nfs/dbraw/zinc/36/44/99/225364499.db2.gz ZOBCASOWGUIRCH-KSSFIOAISA-N 1 0 349.438 3.372 20 70 EGIDRO Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000160954854 225514995 /nfs/dbraw/zinc/51/49/95/225514995.db2.gz WFOJTLQERXXNIA-VQIMIIECSA-N 1 0 326.440 3.425 20 70 EGIDRO O=C(c1cc2c(s1)-c1ccccc1CC2)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159570665 264860072 /nfs/dbraw/zinc/86/00/72/264860072.db2.gz IKEYYWTVFFPIHR-IYBDPMFKSA-N 1 0 338.476 3.480 20 70 EGIDRO C[C@@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000160898656 274255864 /nfs/dbraw/zinc/25/58/64/274255864.db2.gz LWGIYEAREZUBCU-UZLBHIALSA-N 1 0 336.439 3.432 20 70 EGIDRO O=C(C[C@@H](c1ccccc1)C(F)(F)F)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159963512 274976549 /nfs/dbraw/zinc/97/65/49/274976549.db2.gz QOXVMRAFXKLUBD-ZNMIVQPWSA-N 1 0 326.362 3.076 20 70 EGIDRO O[C@@H](C[N@@H+]1CCO[C@@]2(CCc3ccccc32)C1)c1ccc(F)cc1 ZINC000159586026 275051882 /nfs/dbraw/zinc/05/18/82/275051882.db2.gz IKYSHQFQEOFOEJ-PMACEKPBSA-N 1 0 327.399 3.033 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NCCC[N@H+](C)Cc1ccccc1 ZINC000160838561 275196234 /nfs/dbraw/zinc/19/62/34/275196234.db2.gz VOGJDIMXNDMDPG-UHFFFAOYSA-N 1 0 342.487 3.496 20 70 EGIDRO COCC[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159581890 292675568 /nfs/dbraw/zinc/67/55/68/292675568.db2.gz UOVDXIDGLHHAFL-LPHOPBHVSA-N 1 0 326.440 3.251 20 70 EGIDRO [NH3+][C@H]1CC[C@@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000161320969 295340704 /nfs/dbraw/zinc/34/07/04/295340704.db2.gz BNOXFBUNZANMQE-RISCZKNCSA-N 1 0 326.362 3.328 20 70 EGIDRO CC(=O)Nc1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1C ZINC000159587515 307876337 /nfs/dbraw/zinc/87/63/37/307876337.db2.gz RSPUFHPHTRDITF-UHFFFAOYSA-N 1 0 325.412 3.267 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000159732111 307878834 /nfs/dbraw/zinc/87/88/34/307878834.db2.gz UKOSFHZTLTYSKD-OAHLLOKOSA-N 1 0 337.512 3.417 20 70 EGIDRO COc1cc(C2(C(=O)NC[C@@H](CC(C)C)[NH+](C)C)CC2)ccc1C ZINC000160347297 307888474 /nfs/dbraw/zinc/88/84/74/307888474.db2.gz JSTSQNFQHGKBLK-QGZVFWFLSA-N 1 0 332.488 3.128 20 70 EGIDRO O=C(/C=C/C1CCCCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160743719 307894211 /nfs/dbraw/zinc/89/42/11/307894211.db2.gz SFEOQQDCJZGLLM-ONNQBUSKSA-N 1 0 334.504 3.007 20 70 EGIDRO COc1ccccc1C[C@H]([NH2+]CC(=O)Nc1ccccc1)C(C)C ZINC000160794391 307894796 /nfs/dbraw/zinc/89/47/96/307894796.db2.gz FXJVMNTYJZNMNF-SFHVURJKSA-N 1 0 326.440 3.491 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)NCCCO[C@H]1CCCc2ccccc21 ZINC000161228528 307900506 /nfs/dbraw/zinc/90/05/06/307900506.db2.gz LBCVBAYGJISEOW-SFHVURJKSA-N 1 0 332.488 3.352 20 70 EGIDRO CC(C)OCCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000159383646 455373668 /nfs/dbraw/zinc/37/36/68/455373668.db2.gz QPUFDJCMRMSGDC-AWEZNQCLSA-N 1 0 339.867 3.201 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCCSc2ccc(Cl)cc2)CC1 ZINC000159551376 455384328 /nfs/dbraw/zinc/38/43/28/455384328.db2.gz XVMQFYZGYLONIS-UHFFFAOYSA-N 1 0 341.908 3.169 20 70 EGIDRO Cc1ccc(-c2nc(CC(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000159643617 455392633 /nfs/dbraw/zinc/39/26/33/455392633.db2.gz SGEDZFIZLTUZSI-IYBDPMFKSA-N 1 0 341.480 3.014 20 70 EGIDRO CC[C@@H](C)OCC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000159654414 455394024 /nfs/dbraw/zinc/39/40/24/455394024.db2.gz ZDPLVQWDJUJSGX-SJLPKXTDSA-N 1 0 348.487 3.154 20 70 EGIDRO [NH3+][C@H](C(=O)N[C@H](Cc1ccccc1)C1CC1)c1cccc(Cl)c1 ZINC000159827453 455407870 /nfs/dbraw/zinc/40/78/70/455407870.db2.gz BADUUYZUZMUEPQ-MSOLQXFVSA-N 1 0 328.843 3.477 20 70 EGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000159778601 455404171 /nfs/dbraw/zinc/40/41/71/455404171.db2.gz IMHLDAGOWWMNCA-RTBURBONSA-N 1 0 347.503 3.106 20 70 EGIDRO CCC(CC)(CC)CNC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000160033368 455423276 /nfs/dbraw/zinc/42/32/76/455423276.db2.gz MJZWEGSRIZTARB-UHFFFAOYSA-N 1 0 341.540 3.391 20 70 EGIDRO CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@H]3C[NH3+])cs2)cc1 ZINC000160373771 455452173 /nfs/dbraw/zinc/45/21/73/455452173.db2.gz ZTBUXTIMXRNOEP-HNNXBMFYSA-N 1 0 329.469 3.497 20 70 EGIDRO Cc1cc(Oc2ccc(NC(=O)C[NH+]3CCC(C)CC3)cc2)n[nH]1 ZINC000160422532 455457491 /nfs/dbraw/zinc/45/74/91/455457491.db2.gz TZFDLKVWLWRJGB-UHFFFAOYSA-N 1 0 328.416 3.181 20 70 EGIDRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCc2ccccc2C1 ZINC000160795704 455498434 /nfs/dbraw/zinc/49/84/34/455498434.db2.gz ITIHDPCSYWQQPM-UYAOXDASSA-N 1 0 341.499 3.202 20 70 EGIDRO O=C(NCCCCCOC1CCCCC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000159533935 455383240 /nfs/dbraw/zinc/38/32/40/455383240.db2.gz XYHSHHSABNPOOZ-HXUWFJFHSA-N 1 0 344.499 3.337 20 70 EGIDRO COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1OC ZINC000159571994 455386189 /nfs/dbraw/zinc/38/61/89/455386189.db2.gz HLIFUIYRDXGULF-DZGCQCFKSA-N 1 0 325.474 3.267 20 70 EGIDRO C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1cccc2ccccc21 ZINC000159663006 455393353 /nfs/dbraw/zinc/39/33/53/455393353.db2.gz FOWRSVKJZUOSCC-KNBMTAEXSA-N 1 0 340.467 3.110 20 70 EGIDRO COc1c(F)ccc(F)c1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159697963 455396291 /nfs/dbraw/zinc/39/62/91/455396291.db2.gz HRLKPIQWXKCWAN-UHFFFAOYSA-N 1 0 326.387 3.016 20 70 EGIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCCc1cccc(F)c1 ZINC000159776517 455402628 /nfs/dbraw/zinc/40/26/28/455402628.db2.gz JIICMJFKEABKID-LBPRGKRZSA-N 1 0 340.240 3.396 20 70 EGIDRO CC1(C)CC(NC(=O)C2=Cc3cc(F)ccc3OC2)CC(C)(C)[NH2+]1 ZINC000159842931 455408981 /nfs/dbraw/zinc/40/89/81/455408981.db2.gz HMYWGHBIYQSTOB-UHFFFAOYSA-N 1 0 332.419 3.027 20 70 EGIDRO Cc1ccc(C(=O)CC[NH+]2CCC(OC[C@@H]3CCCO3)CC2)cc1 ZINC000160087687 455427469 /nfs/dbraw/zinc/42/74/69/455427469.db2.gz XRFRBBSVRROXNK-IBGZPJMESA-N 1 0 331.456 3.228 20 70 EGIDRO CCOCCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160448243 455460299 /nfs/dbraw/zinc/46/02/99/455460299.db2.gz PLODQBMQEOGQJF-HNNXBMFYSA-N 1 0 337.439 3.086 20 70 EGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COCc2cccs2)n1 ZINC000160452518 455461596 /nfs/dbraw/zinc/46/15/96/455461596.db2.gz OHOXYEAXWYFDOD-YJBOKZPZSA-N 1 0 332.469 3.166 20 70 EGIDRO CC1CCN(c2ccc(CN[C@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486217 455466080 /nfs/dbraw/zinc/46/60/80/455466080.db2.gz QOXNWQITPWYTFF-LNLFQRSKSA-N 1 0 330.520 3.136 20 70 EGIDRO CC1(C)CCC(C(=O)NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000160502863 455466511 /nfs/dbraw/zinc/46/65/11/455466511.db2.gz RCRPPPGMHCAYGD-MSOLQXFVSA-N 1 0 336.520 3.087 20 70 EGIDRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[N@@H+]1CCC[C@H](C)C1 ZINC000160545137 455472548 /nfs/dbraw/zinc/47/25/48/455472548.db2.gz WIYWOXKSJSZQCH-WMHQRMGPSA-N 1 0 336.426 3.305 20 70 EGIDRO O=S(=O)(CC[NH2+][C@@H]1CCc2ccc(F)cc21)c1ccc(F)cc1 ZINC000160551686 455472867 /nfs/dbraw/zinc/47/28/67/455472867.db2.gz XAFJPTPVPVAPFZ-QGZVFWFLSA-N 1 0 337.391 3.016 20 70 EGIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cccc(-c2ccncc2)c1 ZINC000160627265 455482365 /nfs/dbraw/zinc/48/23/65/455482365.db2.gz UEDCLFNMKFBVGO-LBPRGKRZSA-N 1 0 337.345 3.078 20 70 EGIDRO [NH3+]C1(C(=O)Nc2cccc(CC(F)(F)F)c2)Cc2ccccc2C1 ZINC000160800692 455499593 /nfs/dbraw/zinc/49/95/93/455499593.db2.gz CTFYERASZCFMSR-UHFFFAOYSA-N 1 0 334.341 3.226 20 70 EGIDRO C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160796961 455499661 /nfs/dbraw/zinc/49/96/61/455499661.db2.gz ZXIZNAKBRFUWEP-ZBFHGGJFSA-N 1 0 331.460 3.112 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCc2ccc(Br)s2)C1 ZINC000160901337 455510387 /nfs/dbraw/zinc/51/03/87/455510387.db2.gz HYGCLPHBBOGIHI-GHMZBOCLSA-N 1 0 345.306 3.219 20 70 EGIDRO Cc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000160947045 455516356 /nfs/dbraw/zinc/51/63/56/455516356.db2.gz IXCUINMVKPCFQP-IEBWSBKVSA-N 1 0 340.467 3.043 20 70 EGIDRO COc1ccc([C@@H](Cc2ccc(F)cc2)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160958276 455518742 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O=C(CSc1nccc2ccccc21)NC1CC[NH+](C2CC2)CC1 ZINC000161237497 455551386 /nfs/dbraw/zinc/55/13/86/455551386.db2.gz LYFVTYYPVNBFLF-UHFFFAOYSA-N 1 0 341.480 3.070 20 70 EGIDRO Cc1ccc(C(=O)N[C@H](C[NH3+])C2CCCCC2)c(Br)c1 ZINC000161237104 455551419 /nfs/dbraw/zinc/55/14/19/455551419.db2.gz LYIOCFHLLDQOGP-OAHLLOKOSA-N 1 0 339.277 3.395 20 70 EGIDRO O=C(N[C@@H](COCc1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000161305967 455557269 /nfs/dbraw/zinc/55/72/69/455557269.db2.gz FIENZKYEYVDMOU-PMACEKPBSA-N 1 0 338.451 3.060 20 70 EGIDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)c1 ZINC000161323151 455558899 /nfs/dbraw/zinc/55/88/99/455558899.db2.gz XFBQDPRKLQPJSA-QFYYESIMSA-N 1 0 325.330 3.497 20 70 EGIDRO Cc1cccc2c(CCC(=O)NC[C@H]3CC[N@@H+](C4CC4)C3)c[nH]c21 ZINC000161336595 455559973 /nfs/dbraw/zinc/55/99/73/455559973.db2.gz VCVWGTDCDOSUHE-OAHLLOKOSA-N 1 0 325.456 3.009 20 70 EGIDRO Cc1ccc(NC(=O)NC2C[C@@H](C)O[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000161421595 455568825 /nfs/dbraw/zinc/56/88/25/455568825.db2.gz YDTWVLKADLJGOF-HUUCEWRRSA-N 1 0 349.475 3.013 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000161427721 455569898 /nfs/dbraw/zinc/56/98/98/455569898.db2.gz NQJIIOHPYLQBJE-HZPDHXFCSA-N 1 0 334.423 3.025 20 70 EGIDRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161501144 455575569 /nfs/dbraw/zinc/57/55/69/455575569.db2.gz WWFGTDUBUSTUBZ-DCAQKATOSA-N 1 0 331.243 3.147 20 70 EGIDRO Cc1cc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C)n(-c2ccc(F)cc2)n1 ZINC000217141969 456030808 /nfs/dbraw/zinc/03/08/08/456030808.db2.gz HGRSGHWBYCJHKO-GUYCJALGSA-N 1 0 344.434 3.427 20 70 EGIDRO C[C@H](NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000160216647 533794519 /nfs/dbraw/zinc/79/45/19/533794519.db2.gz WYUHRCSOUZAWBK-ZDUSSCGKSA-N 1 0 338.517 3.050 20 70 EGIDRO Cc1cccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c1Br ZINC000160314325 534606739 /nfs/dbraw/zinc/60/67/39/534606739.db2.gz NEXNGSXGXLJFQB-GFCCVEGCSA-N 1 0 339.277 3.219 20 70 EGIDRO CC(C)c1ccc([C@H](C)CC(=O)NC[C@H](C)N2CC[NH+](C)CC2)cc1 ZINC000160159901 528138287 /nfs/dbraw/zinc/13/82/87/528138287.db2.gz LOVPWXTYLFHEIM-MSOLQXFVSA-N 1 0 345.531 3.056 20 70 EGIDRO CC(C)c1nn(C)c(Cl)c1C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000159715437 528390388 /nfs/dbraw/zinc/39/03/88/528390388.db2.gz XGEVMILRWKQLEH-UHFFFAOYSA-N 1 0 348.878 3.189 20 70 EGIDRO C[N@@H+]1CCN(Cc2cn3cc(Cl)ccc3n2)[C@@H](c2ccccc2)C1 ZINC000216737818 574770455 /nfs/dbraw/zinc/77/04/55/574770455.db2.gz RUYLUAWPZOLTCQ-GOSISDBHSA-N 1 0 340.858 3.476 20 70 EGIDRO C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000160127802 533436897 /nfs/dbraw/zinc/43/68/97/533436897.db2.gz WXRSHGZQJIEGSE-SWLSCSKDSA-N 1 0 328.378 3.409 20 70 EGIDRO O=C(NCCc1cc2ccccc2o1)c1cccn1C1CC[NH2+]CC1 ZINC000160488784 140961646 /nfs/dbraw/zinc/96/16/46/140961646.db2.gz PNLHZUATZWZNCQ-UHFFFAOYSA-N 1 0 337.423 3.131 20 70 EGIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000161090655 140968381 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Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCCOc3c(Cl)cccc31)CC2 ZINC000160364724 293543340 /nfs/dbraw/zinc/54/33/40/293543340.db2.gz NHAPKEAKAHEFMR-SWLSCSKDSA-N 1 0 332.835 3.058 20 70 EGIDRO C[C@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)c2ccc(F)cc2O1 ZINC000161102395 307898774 /nfs/dbraw/zinc/89/87/74/307898774.db2.gz FBSJYSKQEDQHOD-BBRMVZONSA-N 1 0 328.387 3.420 20 70 EGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000159378933 455373636 /nfs/dbraw/zinc/37/36/36/455373636.db2.gz LQZCMQACCHPDCD-KXBFYZLASA-N 1 0 334.460 3.481 20 70 EGIDRO Cc1ccc2nc(C)c(C(=O)N3CCC([NH2+]CC4CC4)CC3)cc2c1 ZINC000159831266 455407732 /nfs/dbraw/zinc/40/77/32/455407732.db2.gz UAFOMHQRCDVOCV-UHFFFAOYSA-N 1 0 337.467 3.456 20 70 EGIDRO COc1ccc2oc(C(=O)N3CCC([NH2+]CC4CC4)CC3)c(C)c2c1 ZINC000159835115 455408372 /nfs/dbraw/zinc/40/83/72/455408372.db2.gz CXUCTXREYODYIF-UHFFFAOYSA-N 1 0 342.439 3.354 20 70 EGIDRO CN(C)c1cccc(CN(C)[C@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000159876892 455411428 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C[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000160513242 455467693 /nfs/dbraw/zinc/46/76/93/455467693.db2.gz WKLAQCUPAVOTDJ-JYJNAYRXSA-N 1 0 340.471 3.296 20 70 EGIDRO CC[NH+](CC)CCCNC(=O)N1CCC[C@H](Nc2ccccc2)C1 ZINC000160660680 455485234 /nfs/dbraw/zinc/48/52/34/455485234.db2.gz FQJNDCZOPKZLAF-SFHVURJKSA-N 1 0 332.492 3.004 20 70 EGIDRO O=C(Cc1csc(-c2ccoc2)n1)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000159397698 455374521 /nfs/dbraw/zinc/37/45/21/455374521.db2.gz FPEAFONYPLAWSP-MRXNPFEDSA-N 1 0 345.468 3.032 20 70 EGIDRO CC1(C(=O)NC[C@@H]2CCCS2)CC[NH+](Cc2ccccc2)CC1 ZINC000159439578 455377526 /nfs/dbraw/zinc/37/75/26/455377526.db2.gz UKQRTRGDECHBLJ-KRWDZBQOSA-N 1 0 332.513 3.301 20 70 EGIDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000159498461 455380054 /nfs/dbraw/zinc/38/00/54/455380054.db2.gz SATDKWOSFJULEY-NWDGAFQWSA-N 1 0 343.397 3.388 20 70 EGIDRO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCSC1 ZINC000159563952 455385190 /nfs/dbraw/zinc/38/51/90/455385190.db2.gz HKZCNORSXGPTHN-QZTJIDSGSA-N 1 0 326.465 3.332 20 70 EGIDRO C[NH+]1CCC(Oc2ccc(NCc3ccc(F)c(F)c3)cn2)CC1 ZINC000160082258 455427314 /nfs/dbraw/zinc/42/73/14/455427314.db2.gz SVZSJVKXIJPMJT-UHFFFAOYSA-N 1 0 333.382 3.445 20 70 EGIDRO COc1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cc1F ZINC000160128610 455430520 /nfs/dbraw/zinc/43/05/20/455430520.db2.gz OABYKWSMUAWHEJ-UHFFFAOYSA-N 1 0 345.418 3.314 20 70 EGIDRO C[NH+]1CCC(Oc2ccc(NCc3cc(F)ccc3F)cn2)CC1 ZINC000160143990 455431901 /nfs/dbraw/zinc/43/19/01/455431901.db2.gz GYSRHASSPJYUOL-UHFFFAOYSA-N 1 0 333.382 3.445 20 70 EGIDRO Cc1cccc(C)c1OCC[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000160279996 455444096 /nfs/dbraw/zinc/44/40/96/455444096.db2.gz OWQOYRXSZZTPHF-UHFFFAOYSA-N 1 0 342.439 3.170 20 70 EGIDRO CCN(C(=O)NCCCSC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160299808 455446008 /nfs/dbraw/zinc/44/60/08/455446008.db2.gz CLHYKJKXMOHKJF-QGZVFWFLSA-N 1 0 335.517 3.046 20 70 EGIDRO CSC[C@H](CCO)[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000160426270 455458102 /nfs/dbraw/zinc/45/81/02/455458102.db2.gz RVJJLRBPYDEXIT-FZMZJTMJSA-N 1 0 335.391 3.276 20 70 EGIDRO CS[C@@H](C)CC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000160519401 455468216 /nfs/dbraw/zinc/46/82/16/455468216.db2.gz CYFBSLKYWAWPNZ-AWEZNQCLSA-N 1 0 335.517 3.297 20 70 EGIDRO COC(=O)CCn1nc(C)c(C[N@H+](C)Cc2ccccc2C)c1C ZINC000160522224 455469200 /nfs/dbraw/zinc/46/92/00/455469200.db2.gz SSNZWYSWDMKGRY-UHFFFAOYSA-N 1 0 329.444 3.003 20 70 EGIDRO Cc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)no1 ZINC000160541488 455471811 /nfs/dbraw/zinc/47/18/11/455471811.db2.gz MPUGMNBJGAZOJF-XYPWUTKMSA-N 1 0 335.448 3.345 20 70 EGIDRO C[C@H](C(=O)NCCc1csc(C(C)(C)C)n1)[NH+]1CCCCCC1 ZINC000160639198 455483269 /nfs/dbraw/zinc/48/32/69/455483269.db2.gz NGLGOVFOMLYBHU-CQSZACIVSA-N 1 0 337.533 3.364 20 70 EGIDRO CC[NH+](CC)CCNC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000160844661 455504313 /nfs/dbraw/zinc/50/43/13/455504313.db2.gz WEXGKYTYBVIAOH-CQSZACIVSA-N 1 0 330.432 3.044 20 70 EGIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)N(Cc1ccccc1)C1CC1 ZINC000160868076 455506319 /nfs/dbraw/zinc/50/63/19/455506319.db2.gz XIQXSGAPOKAYTM-QGZVFWFLSA-N 1 0 327.472 3.378 20 70 EGIDRO COCCCOc1ccccc1NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160922283 455514279 /nfs/dbraw/zinc/51/42/79/455514279.db2.gz MXSIIZSMYGJXPQ-UHFFFAOYSA-N 1 0 342.439 3.416 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000160950675 455517593 /nfs/dbraw/zinc/51/75/93/455517593.db2.gz WBFANWRVJGILNQ-AWEZNQCLSA-N 1 0 347.459 3.441 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)c(C)c2)cc1 ZINC000160977171 455520173 /nfs/dbraw/zinc/52/01/73/455520173.db2.gz VSDCSTWIOZZLGK-MRXNPFEDSA-N 1 0 326.440 3.279 20 70 EGIDRO CC1(C(=O)NOCCC(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000160984063 455520445 /nfs/dbraw/zinc/52/04/45/455520445.db2.gz BMODOZSKROBCSD-UHFFFAOYSA-N 1 0 344.377 3.289 20 70 EGIDRO CCCCn1ncc(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C ZINC000160992531 455521548 /nfs/dbraw/zinc/52/15/48/455521548.db2.gz NDPVIRBTAUXVPU-HNNXBMFYSA-N 1 0 334.489 3.086 20 70 EGIDRO C[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)Oc1ccc(F)cc1 ZINC000161123163 455536865 /nfs/dbraw/zinc/53/68/65/455536865.db2.gz UCIOHYNLWWEMSY-DEYYWGMASA-N 1 0 330.403 3.045 20 70 EGIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc([S@@](C)=O)cc1 ZINC000161135577 455538303 /nfs/dbraw/zinc/53/83/03/455538303.db2.gz VFJZAUZJLNUFMW-ZLOXQWCVSA-N 1 0 331.437 3.046 20 70 EGIDRO CC(C)OCc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161167686 455543095 /nfs/dbraw/zinc/54/30/95/455543095.db2.gz CPRCWSCWOGKYSX-KGLIPLIRSA-N 1 0 330.428 3.358 20 70 EGIDRO C[C@@H]([NH2+]CCCc1nnc2n1CCCCC2)c1ccc2c(c1)OCO2 ZINC000161185820 455546082 /nfs/dbraw/zinc/54/60/82/455546082.db2.gz QSRGEGOIKPWJIH-CQSZACIVSA-N 1 0 342.443 3.017 20 70 EGIDRO Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000161201905 455547653 /nfs/dbraw/zinc/54/76/53/455547653.db2.gz AMROCIFIYXQMQO-RHSMWYFYSA-N 1 0 335.492 3.412 20 70 EGIDRO COc1cc(OC)c(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1F ZINC000161209342 455548830 /nfs/dbraw/zinc/54/88/30/455548830.db2.gz XGOKGRASNLCQTL-GTNSWQLSSA-N 1 0 332.375 3.118 20 70 EGIDRO Cc1n[nH]c(C)c1[C@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161215935 455549060 /nfs/dbraw/zinc/54/90/60/455549060.db2.gz QKIDQBFIKAWBSX-QGZVFWFLSA-N 1 0 346.519 3.448 20 70 EGIDRO CCc1ccc(-c2nc(CC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000161235224 455551021 /nfs/dbraw/zinc/55/10/21/455551021.db2.gz NUCHRHMPIYEPQW-CVEARBPZSA-N 1 0 343.496 3.301 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000161271873 455554972 /nfs/dbraw/zinc/55/49/72/455554972.db2.gz QRJIVMBRDBQJOF-GOSISDBHSA-N 1 0 348.450 3.158 20 70 EGIDRO COc1cccc([C@H](O)C[NH2+][C@H]2CCCOc3ccc(OC)cc32)c1 ZINC000161301223 455557101 /nfs/dbraw/zinc/55/71/01/455557101.db2.gz JGNRBZKRUYYNFT-RBUKOAKNSA-N 1 0 343.423 3.241 20 70 EGIDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000161303230 455557122 /nfs/dbraw/zinc/55/71/22/455557122.db2.gz MXKYAAPXKHGWPR-RDTXWAMCSA-N 1 0 345.439 3.405 20 70 EGIDRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)c21 ZINC000161325311 455559241 /nfs/dbraw/zinc/55/92/41/455559241.db2.gz XEIZXWZZMCIYHZ-QWHCGFSZSA-N 1 0 342.443 3.223 20 70 EGIDRO O[C@@H](C1CC[NH+](CCCOCCc2ccccc2)CC1)C(F)(F)F ZINC000161344669 455561416 /nfs/dbraw/zinc/56/14/16/455561416.db2.gz IJLKHXOPDIXTMC-KRWDZBQOSA-N 1 0 345.405 3.271 20 70 EGIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000161354867 455561946 /nfs/dbraw/zinc/56/19/46/455561946.db2.gz YSAJXVOUUATLRN-FVELJTHGSA-N 1 0 330.472 3.191 20 70 EGIDRO Cc1ccc(NC(=O)C2([NH3+])CCCCC2)cc1OCC1CCOCC1 ZINC000161377170 455564957 /nfs/dbraw/zinc/56/49/57/455564957.db2.gz ZZBZYTDVXFLGOO-UHFFFAOYSA-N 1 0 346.471 3.401 20 70 EGIDRO Cc1nccn1CCCC[N@@H+](C)Cc1ccc(Br)o1 ZINC000161405724 455567225 /nfs/dbraw/zinc/56/72/25/455567225.db2.gz BQRURMCBSNVSFO-UHFFFAOYSA-N 1 0 326.238 3.459 20 70 EGIDRO CC[N@H+](Cc1ccc(OC)c(OC)c1)[C@H](C)C(=O)N1CCC(C)CC1 ZINC000161464628 455572731 /nfs/dbraw/zinc/57/27/31/455572731.db2.gz YZFDRMIOVREPIV-MRXNPFEDSA-N 1 0 348.487 3.173 20 70 EGIDRO Cc1nc(CC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c(C)s1 ZINC000161470525 455572856 /nfs/dbraw/zinc/57/28/56/455572856.db2.gz SDBLXVCKRWCSKX-UHFFFAOYSA-N 1 0 349.544 3.462 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCOc2ccccc2C(C)(C)C)CC1 ZINC000161479057 455573745 /nfs/dbraw/zinc/57/37/45/455573745.db2.gz AZCCIJKBOVUCLS-UHFFFAOYSA-N 1 0 332.488 3.400 20 70 EGIDRO CC1CCC([NH+]2CCN(CC(=O)N(C)[C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000217213908 456031343 /nfs/dbraw/zinc/03/13/43/456031343.db2.gz XGGUPDBTNSHNNF-NBDWZHNGSA-N 1 0 349.563 3.220 20 70 EGIDRO Fc1cc(Br)ccc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217667353 456033440 /nfs/dbraw/zinc/03/34/40/456033440.db2.gz YLWFFBQWNBKKGT-GJZGRUSLSA-N 1 0 327.241 3.305 20 70 EGIDRO C[C@H]([NH2+][C@H](c1ccccc1)C1CC1)C(=O)NC(=O)NC1CCCCC1 ZINC000217461385 456033906 /nfs/dbraw/zinc/03/39/06/456033906.db2.gz QRBMKXHNNKJCSU-KBXCAEBGSA-N 1 0 343.471 3.274 20 70 EGIDRO OC[C@H]1CCCC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000159917704 534394464 /nfs/dbraw/zinc/39/44/64/534394464.db2.gz XFESRNJHQQQHBZ-OAHLLOKOSA-N 1 0 335.245 3.344 20 70 EGIDRO CC(C)(C)[NH+]1CCC(NC(=O)c2cc(F)cc3cccnc32)CC1 ZINC000161338412 526287124 /nfs/dbraw/zinc/28/71/24/526287124.db2.gz SDFSMHXYMVRHSP-UHFFFAOYSA-N 1 0 329.419 3.367 20 70 EGIDRO CC(=O)N(C)C1CC[NH+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159662443 526461146 /nfs/dbraw/zinc/46/11/46/526461146.db2.gz ZBGACKBFFSTSHT-UHFFFAOYSA-N 1 0 345.270 3.315 20 70 EGIDRO CC(C)(C)c1nsc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)n1 ZINC000160012152 526906821 /nfs/dbraw/zinc/90/68/21/526906821.db2.gz HKMSBJYFVIWCCU-KGLIPLIRSA-N 1 0 338.521 3.015 20 70 EGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)cn1 ZINC000160080345 528161823 /nfs/dbraw/zinc/16/18/23/528161823.db2.gz LYHBVRWDRHEYCH-LFVRLGFBSA-N 1 0 332.469 3.457 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(OCC(C)C)c(OC)c2)CC1 ZINC000161060398 528288533 /nfs/dbraw/zinc/28/85/33/528288533.db2.gz XJDMZTNCWRRUMW-UHFFFAOYSA-N 1 0 348.487 3.192 20 70 EGIDRO CCOCCC1(CNC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CCC1 ZINC000159822480 528628790 /nfs/dbraw/zinc/62/87/90/528628790.db2.gz IYZWWUJHSMHVRF-SFHVURJKSA-N 1 0 332.488 3.393 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2cccc(N(C)C)c2)cc1 ZINC000159364752 546937067 /nfs/dbraw/zinc/93/70/67/546937067.db2.gz VDPXXRRMRXSRAH-HNNXBMFYSA-N 1 0 346.496 3.397 20 70 EGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1c[nH]c2ccc(F)cc12 ZINC000160393200 546946485 /nfs/dbraw/zinc/94/64/85/546946485.db2.gz SIUHKQRSLCSJQG-MRXNPFEDSA-N 1 0 331.435 3.086 20 70 EGIDRO CC[C@H](COC)[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159585908 529399192 /nfs/dbraw/zinc/39/91/92/529399192.db2.gz OTGBBCRYDSFWPH-MJGOQNOKSA-N 1 0 326.440 3.251 20 70 EGIDRO C[C@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218245628 241307668 /nfs/dbraw/zinc/30/76/68/241307668.db2.gz GMMQYIOEPGNATJ-STQMWFEESA-N 1 0 325.478 3.441 20 70 EGIDRO C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218239383 241308700 /nfs/dbraw/zinc/30/87/00/241308700.db2.gz JEQAYTBICYKVEJ-STQMWFEESA-N 1 0 325.478 3.441 20 70 EGIDRO C[N@H+](CC1CCOCC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160471782 258070501 /nfs/dbraw/zinc/07/05/01/258070501.db2.gz TVAURLOISWRBFL-SJPCQFCGSA-N 1 0 338.492 3.275 20 70 EGIDRO C[C@H](CC(=O)N(C)C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000159970599 533618267 /nfs/dbraw/zinc/61/82/67/533618267.db2.gz JOIMDNKSPQNYCM-MRXNPFEDSA-N 1 0 326.440 3.222 20 70 EGIDRO Cc1nn(CC(F)(F)F)c(C)c1[C@@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000159498722 140938971 /nfs/dbraw/zinc/93/89/71/140938971.db2.gz SATDKWOSFJULEY-VXGBXAGGSA-N 1 0 343.397 3.388 20 70 EGIDRO Cc1cc(NC(=O)CC2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000159566195 225241838 /nfs/dbraw/zinc/24/18/38/225241838.db2.gz SOPMMUZDUYWSAL-UHFFFAOYSA-N 1 0 330.350 3.264 20 70 EGIDRO COC1(C(=O)Nc2cccc(CSC(C)C)c2C)CC[NH2+]CC1 ZINC000160784607 225475634 /nfs/dbraw/zinc/47/56/34/225475634.db2.gz DVPGMXPRUFBQFM-UHFFFAOYSA-N 1 0 336.501 3.344 20 70 EGIDRO [NH3+][C@H]1CCCCCC[C@@H]1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000161203998 264889642 /nfs/dbraw/zinc/88/96/42/264889642.db2.gz IOGBGXCDXPLGJK-QWRGUYRKSA-N 1 0 349.422 3.118 20 70 EGIDRO CC(C)n1ncc2cc(C[NH2+][C@@H]3[C@@H]4CCO[C@@H]4C34CCC4)cnc21 ZINC000159467737 276091304 /nfs/dbraw/zinc/09/13/04/276091304.db2.gz KVOQFWLJDRFQMA-BBWFWOEESA-N 1 0 326.444 3.059 20 70 EGIDRO CCCC(=O)Nc1nc2ccc(NC(=O)[C@H](CC)[NH+](C)C)cc2s1 ZINC000159953583 276224193 /nfs/dbraw/zinc/22/41/93/276224193.db2.gz BZBLQOQWOTVVJH-ZDUSSCGKSA-N 1 0 348.472 3.314 20 70 EGIDRO CO[C@@H]1CCC[C@H]1NC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000159445816 307873989 /nfs/dbraw/zinc/87/39/89/307873989.db2.gz SYXDYRGTJDYFKF-RTBURBONSA-N 1 0 345.487 3.039 20 70 EGIDRO C[NH+]1CCC(Oc2ccc(NCc3ccc4c[nH]nc4c3)cn2)CC1 ZINC000160129060 307885105 /nfs/dbraw/zinc/88/51/05/307885105.db2.gz UMNUXLISVYORBH-UHFFFAOYSA-N 1 0 337.427 3.043 20 70 EGIDRO O=C(CC[NH+]1CCN(c2cccs2)CC1)Nc1cccc(F)c1 ZINC000160315774 307887961 /nfs/dbraw/zinc/88/79/61/307887961.db2.gz AUEKEEBPWGRALQ-UHFFFAOYSA-N 1 0 333.432 3.038 20 70 EGIDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000160605480 307892471 /nfs/dbraw/zinc/89/24/71/307892471.db2.gz QCKUIIVPHHCNFB-LLVKDONJSA-N 1 0 340.292 3.007 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000159655957 455393645 /nfs/dbraw/zinc/39/36/45/455393645.db2.gz TXCGMBNWNOEZFW-HNNXBMFYSA-N 1 0 333.229 3.036 20 70 EGIDRO Cc1noc(C)c1[C@H](C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159945376 455417953 /nfs/dbraw/zinc/41/79/53/455417953.db2.gz UQZZEPJTELGQKX-BBRMVZONSA-N 1 0 334.464 3.012 20 70 EGIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC(=O)C[C@@H]1C ZINC000160048048 455424511 /nfs/dbraw/zinc/42/45/11/455424511.db2.gz BTMMONWUBSHBQM-KXBFYZLASA-N 1 0 330.472 3.148 20 70 EGIDRO C[C@@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)[N@@H+]1CCC[C@@H](C)C1 ZINC000160545025 455473137 /nfs/dbraw/zinc/47/31/37/455473137.db2.gz WIYWOXKSJSZQCH-OCVGTWLNSA-N 1 0 336.426 3.305 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000160816498 455501761 /nfs/dbraw/zinc/50/17/61/455501761.db2.gz LPIGWZCSEWOQFB-ZIAGYGMSSA-N 1 0 326.362 3.123 20 70 EGIDRO O=C(NCCCCCOC1CCCCC1)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000159534037 455383495 /nfs/dbraw/zinc/38/34/95/455383495.db2.gz XYHSHHSABNPOOZ-FQEVSTJZSA-N 1 0 344.499 3.337 20 70 EGIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)C1(CCOC)CCC1 ZINC000159728118 455398831 /nfs/dbraw/zinc/39/88/31/455398831.db2.gz VGMILAAOPPXGSF-UHFFFAOYSA-N 1 0 332.488 3.351 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3ccc(Cl)cc3)CC2)CC1 ZINC000159809128 455406099 /nfs/dbraw/zinc/40/60/99/455406099.db2.gz CBSUVIXTHKWWLL-UHFFFAOYSA-N 1 0 335.879 3.109 20 70 EGIDRO C[C@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159841714 455408925 /nfs/dbraw/zinc/40/89/25/455408925.db2.gz LNESJKYNKKEIBY-MRXNPFEDSA-N 1 0 337.467 3.162 20 70 EGIDRO Cc1ccc(-n2nc(C(C)C)cc2NC(=O)C[NH2+]CC2CC2)cc1 ZINC000159910355 455414504 /nfs/dbraw/zinc/41/45/04/455414504.db2.gz VFCQRQALXNIHTB-UHFFFAOYSA-N 1 0 326.444 3.242 20 70 EGIDRO CCCCn1ncc(NC(=O)NCc2ccc(C[NH+](C)C)cc2)c1C ZINC000160122223 455430613 /nfs/dbraw/zinc/43/06/13/455430613.db2.gz CHDNKAASYWVECN-UHFFFAOYSA-N 1 0 343.475 3.375 20 70 EGIDRO CCN(C(=O)NCCCSC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160299940 455446024 /nfs/dbraw/zinc/44/60/24/455446024.db2.gz CLHYKJKXMOHKJF-KRWDZBQOSA-N 1 0 335.517 3.046 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1C(=O)c1ccc(F)cc1 ZINC000160415695 455456429 /nfs/dbraw/zinc/45/64/29/455456429.db2.gz PGHCQBZIMNMYPF-UHFFFAOYSA-N 1 0 342.414 3.304 20 70 EGIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160479091 455464551 /nfs/dbraw/zinc/46/45/51/455464551.db2.gz DYGCQAYRUTWGLK-SIIHOXLZSA-N 1 0 331.460 3.172 20 70 EGIDRO CC1CCN(c2ccc(CN[C@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486454 455466140 /nfs/dbraw/zinc/46/61/40/455466140.db2.gz QOXNWQITPWYTFF-SCTDSRPQSA-N 1 0 330.520 3.136 20 70 EGIDRO CC1(C)CCC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)CC1 ZINC000160503259 455466716 /nfs/dbraw/zinc/46/67/16/455466716.db2.gz RCRPPPGMHCAYGD-ZWKOTPCHSA-N 1 0 336.520 3.087 20 70 EGIDRO CC(C)n1cc([C@@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cn1 ZINC000160627940 455482092 /nfs/dbraw/zinc/48/20/92/455482092.db2.gz BPRFMLHIXXLNTL-QGZVFWFLSA-N 1 0 342.487 3.147 20 70 EGIDRO CCC(=O)c1cccc(NC(=O)[C@H]([NH2+]C2CCOCC2)C(C)C)c1 ZINC000160742432 455494352 /nfs/dbraw/zinc/49/43/52/455494352.db2.gz MPDYYEMDCFZXCK-GOSISDBHSA-N 1 0 332.444 3.011 20 70 EGIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@H](c2ccccc2)C1 ZINC000160758489 455495690 /nfs/dbraw/zinc/49/56/90/455495690.db2.gz TVEWTTHWOYLPME-OALUTQOASA-N 1 0 347.503 3.136 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1ccccc1OCc1ccccc1 ZINC000160928862 455515057 /nfs/dbraw/zinc/51/50/57/455515057.db2.gz CYQUYMYHUSBEEJ-MRXNPFEDSA-N 1 0 326.440 3.441 20 70 EGIDRO C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)COCc1ccccc1 ZINC000160949923 455516523 /nfs/dbraw/zinc/51/65/23/455516523.db2.gz LBNIXSWQSBRLCL-KRWDZBQOSA-N 1 0 340.467 3.331 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000160968757 455519420 /nfs/dbraw/zinc/51/94/20/455519420.db2.gz FZOSXLWEAPKOEE-GHMZBOCLSA-N 1 0 333.284 3.472 20 70 EGIDRO CO[C@@H]1CCN(Cc2cc(Cl)ccc2Br)[C@H](C[NH3+])C1 ZINC000161031382 455525818 /nfs/dbraw/zinc/52/58/18/455525818.db2.gz DZKKECJCWTWFNK-QWHCGFSZSA-N 1 0 347.684 3.041 20 70 EGIDRO COc1ccc(COCCC[NH2+][C@@H](C)c2cnc(C)nc2C)cc1 ZINC000161072787 455529818 /nfs/dbraw/zinc/52/98/18/455529818.db2.gz KUTPDHUXNQKBCX-AWEZNQCLSA-N 1 0 329.444 3.360 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000161075982 455530858 /nfs/dbraw/zinc/53/08/58/455530858.db2.gz IXMAMWHESLAIDA-ZIAGYGMSSA-N 1 0 340.471 3.473 20 70 EGIDRO Cc1ccc(NC(=O)[C@H]2CCn3ccnc3C2)cc1OCC(F)F ZINC000161157267 455540975 /nfs/dbraw/zinc/54/09/75/455540975.db2.gz LOMSSHGPVARXCD-LBPRGKRZSA-N 1 0 335.354 3.037 20 70 EGIDRO CCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C[NH2+]C)cs2)cc1 ZINC000161164699 455542122 /nfs/dbraw/zinc/54/21/22/455542122.db2.gz IQNAIFBWMXQDMW-AWEZNQCLSA-N 1 0 345.468 3.033 20 70 EGIDRO CCn1cc([C@@H](C)[NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)cn1 ZINC000161192187 455546615 /nfs/dbraw/zinc/54/66/15/455546615.db2.gz XMAZIXBCJBCCNT-LSDHHAIUSA-N 1 0 347.459 3.349 20 70 EGIDRO CCc1nc2c(s1)[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000161196164 455546945 /nfs/dbraw/zinc/54/69/45/455546945.db2.gz NZMPXSGAPODAHU-ZFWWWQNUSA-N 1 0 343.496 3.377 20 70 EGIDRO O=C(Nc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1)C1CCC1 ZINC000161254447 455553365 /nfs/dbraw/zinc/55/33/65/455553365.db2.gz NDZNNFLSLNWZSC-UHFFFAOYSA-N 1 0 344.455 3.201 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000161271650 455554481 /nfs/dbraw/zinc/55/44/81/455554481.db2.gz LOEJCMPRZPRHSZ-GHMZBOCLSA-N 1 0 335.860 3.463 20 70 EGIDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccccc2OC2CCCCC2)C1 ZINC000161329023 455560166 /nfs/dbraw/zinc/56/01/66/455560166.db2.gz UKZTYIPSTMDJBK-MRXNPFEDSA-N 1 0 330.472 3.470 20 70 EGIDRO O=S1(=O)CC[C@H]([NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000161352400 455561762 /nfs/dbraw/zinc/56/17/62/455561762.db2.gz GUPZFOQPZTZGML-PMACEKPBSA-N 1 0 343.492 3.007 20 70 EGIDRO CCCn1c(C)nnc1CN1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000161363373 455562754 /nfs/dbraw/zinc/56/27/54/455562754.db2.gz LCLNWECZOLHGRD-KRWDZBQOSA-N 1 0 347.551 3.473 20 70 EGIDRO Cc1cc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c(C)n1-c1nccs1 ZINC000161367685 455564039 /nfs/dbraw/zinc/56/40/39/455564039.db2.gz UWSZXEUVGJYWOR-BLLLJJGKSA-N 1 0 346.500 3.009 20 70 EGIDRO CCOc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161399880 455566437 /nfs/dbraw/zinc/56/64/37/455566437.db2.gz KDDYQOWOTQKNJS-INIZCTEOSA-N 1 0 326.444 3.003 20 70 EGIDRO CC[NH+](CC)[C@@H](C)CNC(=O)CCc1ccc(Cl)c(OC)c1 ZINC000161425971 455569347 /nfs/dbraw/zinc/56/93/47/455569347.db2.gz UOLFHMCENWUVIU-ZDUSSCGKSA-N 1 0 326.868 3.128 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCc3ccc(C)cc32)c1 ZINC000161467595 455572725 /nfs/dbraw/zinc/57/27/25/455572725.db2.gz OXYYKALKEIIFDW-IFXJQAMLSA-N 1 0 344.480 3.241 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2cccc(C)c2)c1 ZINC000161492932 455575663 /nfs/dbraw/zinc/57/56/63/455575663.db2.gz NABSYGALVYTPLB-HUUCEWRRSA-N 1 0 332.469 3.315 20 70 EGIDRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@H]2C)n(-c2ccc(F)cc2)n1 ZINC000217141977 456031740 /nfs/dbraw/zinc/03/17/40/456031740.db2.gz HGRSGHWBYCJHKO-CXAGYDPISA-N 1 0 344.434 3.427 20 70 EGIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1cccc(OC(F)(F)F)c1 ZINC000159579618 533847765 /nfs/dbraw/zinc/84/77/65/533847765.db2.gz PRWHIZLWNRLZQS-LBPRGKRZSA-N 1 0 330.350 3.248 20 70 EGIDRO CS[C@H](C)CNC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159498330 534055772 /nfs/dbraw/zinc/05/57/72/534055772.db2.gz LTMFHAVWGQZMLJ-INMHGKMJSA-N 1 0 335.517 3.090 20 70 EGIDRO C[C@@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000159779293 534162092 /nfs/dbraw/zinc/16/20/92/534162092.db2.gz NIWRFURQMYCNPZ-SLEUVZQESA-N 1 0 328.250 3.294 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1C ZINC000159698586 517577835 /nfs/dbraw/zinc/57/78/35/517577835.db2.gz VSMRGQNSNJXDNF-OAHLLOKOSA-N 1 0 335.496 3.234 20 70 EGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)cn1 ZINC000160080469 528163442 /nfs/dbraw/zinc/16/34/42/528163442.db2.gz LYHBVRWDRHEYCH-QKFKETGDSA-N 1 0 332.469 3.457 20 70 EGIDRO CCCCS(=O)(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160018265 528712682 /nfs/dbraw/zinc/71/26/82/528712682.db2.gz MKFRLPXDLNSQHT-SJLPKXTDSA-N 1 0 338.517 3.101 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(F)cc2Cl)CC1 ZINC000159881486 529029213 /nfs/dbraw/zinc/02/92/13/529029213.db2.gz GNKKSCFHOCORDN-LBPRGKRZSA-N 1 0 327.831 3.277 20 70 EGIDRO CC1(C)C[C@@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2O1 ZINC000160343609 529136760 /nfs/dbraw/zinc/13/67/60/529136760.db2.gz KKKGZUXJZXFMRK-UCMJJCQDSA-N 1 0 328.456 3.326 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000159532823 529164405 /nfs/dbraw/zinc/16/44/05/529164405.db2.gz KRZXQNGQBHAPLJ-KXBFYZLASA-N 1 0 347.480 3.039 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000159371660 529164479 /nfs/dbraw/zinc/16/44/79/529164479.db2.gz YLPREVLWACWJLD-GJZGRUSLSA-N 1 0 347.480 3.468 20 70 EGIDRO Cc1nccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1Cl ZINC000159426933 546938616 /nfs/dbraw/zinc/93/86/16/546938616.db2.gz FYWUUBMEIRDOAT-HNNXBMFYSA-N 1 0 332.835 3.468 20 70 EGIDRO CC(C)[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc2c(c1)OCCO2 ZINC000159628378 546940173 /nfs/dbraw/zinc/94/01/73/546940173.db2.gz BXJLRYCGIWMXJN-FQEVSTJZSA-N 1 0 341.455 3.406 20 70 EGIDRO Cc1cccc([C@@H](NC(=O)CCCn2ccnc2)c2ccccn2)c1 ZINC000159858302 546941910 /nfs/dbraw/zinc/94/19/10/546941910.db2.gz HMDUKRMODMOHPR-HXUWFJFHSA-N 1 0 334.423 3.273 20 70 EGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc(OC(F)F)c1 ZINC000160393347 546947087 /nfs/dbraw/zinc/94/70/87/546947087.db2.gz NQWZNTRDILEYFW-OAHLLOKOSA-N 1 0 340.414 3.067 20 70 EGIDRO Cc1cccc(OCC[NH2+][C@H](CN2CCOCC2)c2ccccc2)c1 ZINC000216772506 574808784 /nfs/dbraw/zinc/80/87/84/574808784.db2.gz IPIOKCYGXWJLPJ-OAQYLSRUSA-N 1 0 340.467 3.037 20 70 EGIDRO CO[C@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000161412144 533155920 /nfs/dbraw/zinc/15/59/20/533155920.db2.gz HFYVJPJHPKWDOK-SUMWQHHRSA-N 1 0 338.879 3.170 20 70 EGIDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159916040 533282109 /nfs/dbraw/zinc/28/21/09/533282109.db2.gz LTIKSJLETBAKCO-ROUUACIJSA-N 1 0 337.460 3.332 20 70 EGIDRO C[C@H](CCn1cccn1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000159437278 225217084 /nfs/dbraw/zinc/21/70/84/225217084.db2.gz VOCIODSBNOOVQL-MRXNPFEDSA-N 1 0 330.501 3.323 20 70 EGIDRO O=C(N1CCC([NH2+]CC2CC2)CC1)C1(c2ccc(Cl)cc2)CC1 ZINC000159770059 225274404 /nfs/dbraw/zinc/27/44/04/225274404.db2.gz AEIOACRVJVAHGF-UHFFFAOYSA-N 1 0 332.875 3.362 20 70 EGIDRO O=C(NCC1CC[NH2+]CC1)c1ccc2cc(Br)ccc2c1 ZINC000159643628 225254000 /nfs/dbraw/zinc/25/40/00/225254000.db2.gz NMKQRLHBQKSUNR-UHFFFAOYSA-N 1 0 347.256 3.332 20 70 EGIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(CCC(F)(F)F)cc1 ZINC000160135188 225344668 /nfs/dbraw/zinc/34/46/68/225344668.db2.gz URLVFLFGRBMZJT-AWEZNQCLSA-N 1 0 340.389 3.396 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)C1 ZINC000160596562 264880385 /nfs/dbraw/zinc/88/03/85/264880385.db2.gz OOTQRZIMDNPGNN-AWEZNQCLSA-N 1 0 347.509 3.178 20 70 EGIDRO C[C@@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000161246086 274395373 /nfs/dbraw/zinc/39/53/73/274395373.db2.gz HRCZPBAPVNABNV-DJKXOVBDSA-N 1 0 338.426 3.245 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C2SCCCS2)cc1 ZINC000161211576 277032896 /nfs/dbraw/zinc/03/28/96/277032896.db2.gz HRPVZTITUVTJJP-OAHLLOKOSA-N 1 0 336.526 3.379 20 70 EGIDRO C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000160489883 278254285 /nfs/dbraw/zinc/25/42/85/278254285.db2.gz NGVKBLSSTOGVEC-NPMXOYFQSA-N 1 0 334.529 3.482 20 70 EGIDRO COCCC1(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CCCC1 ZINC000159638339 307876969 /nfs/dbraw/zinc/87/69/69/307876969.db2.gz OHDXPGIGMKYLGB-KRWDZBQOSA-N 1 0 336.451 3.142 20 70 EGIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(N3CCCCC3)cn2)cc1 ZINC000160903586 307895939 /nfs/dbraw/zinc/89/59/39/307895939.db2.gz COAVXOGTCZGCKO-UHFFFAOYSA-N 1 0 338.455 3.386 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc3c(c2)CCC3)cc1 ZINC000160967350 307896658 /nfs/dbraw/zinc/89/66/58/307896658.db2.gz RUAXHRNJGDPQLD-OAHLLOKOSA-N 1 0 338.451 3.151 20 70 EGIDRO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)[C@@H]2Cc3ccccc3C[NH2+]2)C1 ZINC000161290512 307901415 /nfs/dbraw/zinc/90/14/15/307901415.db2.gz PTLNHLYZVMWZLM-SCWSEQNSSA-N 1 0 334.463 3.414 20 70 EGIDRO CCC[C@@H]([NH3+])C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000159655903 455393590 /nfs/dbraw/zinc/39/35/90/455393590.db2.gz WYXGNJWOKVIKIA-ZWNOBZJWSA-N 1 0 345.306 3.173 20 70 EGIDRO Cc1ccc([C@@H](C)CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000159659214 455393914 /nfs/dbraw/zinc/39/39/14/455393914.db2.gz YBWDFACOQOFFFR-INIZCTEOSA-N 1 0 325.456 3.255 20 70 EGIDRO O=C(CCc1nc2ccccc2s1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159750937 455400273 /nfs/dbraw/zinc/40/02/73/455400273.db2.gz PNMZJPCDBYPDMP-UHFFFAOYSA-N 1 0 343.496 3.220 20 70 EGIDRO Cc1cccc(OC[C@@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000159748437 455400746 /nfs/dbraw/zinc/40/07/46/455400746.db2.gz YYGCHIZNKIAMNL-FXAWDEMLSA-N 1 0 326.440 3.275 20 70 EGIDRO CN(C)C(=O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000159783231 455404300 /nfs/dbraw/zinc/40/43/00/455404300.db2.gz QFXZXRPZGBLSDX-UHFFFAOYSA-N 1 0 336.794 3.449 20 70 EGIDRO CSC[C@@H](CCO)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000160289009 455445213 /nfs/dbraw/zinc/44/52/13/455445213.db2.gz MPDUGCWDUNXLJE-QGZVFWFLSA-N 1 0 342.936 3.008 20 70 EGIDRO Cc1csc(CCCC[NH2+][C@H](C)c2ccc(-n3cnnn3)cc2)n1 ZINC000160702248 455490401 /nfs/dbraw/zinc/49/04/01/455490401.db2.gz KSVWGLQBKNPNKD-CQSZACIVSA-N 1 0 342.472 3.101 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000160816452 455501835 /nfs/dbraw/zinc/50/18/35/455501835.db2.gz LPIGWZCSEWOQFB-KBPBESRZSA-N 1 0 326.362 3.123 20 70 EGIDRO [NH3+]C1(CNC(=O)COc2cc(Cl)ccc2Cl)CCCCC1 ZINC000159460685 455378107 /nfs/dbraw/zinc/37/81/07/455378107.db2.gz GCPVQTMXNNSWRI-UHFFFAOYSA-N 1 0 331.243 3.150 20 70 EGIDRO COc1cc(-c2ccccc2)sc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159465980 455378442 /nfs/dbraw/zinc/37/84/42/455378442.db2.gz KSYULOUCMSCAQB-GASCZTMLSA-N 1 0 342.464 3.390 20 70 EGIDRO Cc1cc(-c2noc([C@H](C)[N@H+](C)C[C@@H]3CCC[C@@H]3O)n2)ccc1F ZINC000159453101 455378598 /nfs/dbraw/zinc/37/85/98/455378598.db2.gz YLUDLZBYRNZXKE-NOLJZWGESA-N 1 0 333.407 3.338 20 70 EGIDRO C[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cnn(C)c1 ZINC000159571551 455386091 /nfs/dbraw/zinc/38/60/91/455386091.db2.gz UTICZRAZHQHRIP-OXQOHEQNSA-N 1 0 348.450 3.321 20 70 EGIDRO C[C@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)CC[C@@H]1[NH3+] ZINC000159654248 455393417 /nfs/dbraw/zinc/39/34/17/455393417.db2.gz QGOCNDOSMDHMNK-ZBEGNZNMSA-N 1 0 347.256 3.412 20 70 EGIDRO CC(C)c1noc2ncc(C(=O)NCC[NH2+]C3CCCCCC3)cc21 ZINC000159700374 455396862 /nfs/dbraw/zinc/39/68/62/455396862.db2.gz SDCTYKNVYHWPHP-UHFFFAOYSA-N 1 0 344.459 3.388 20 70 EGIDRO CC(C)[NH+](CCNC(=O)Cc1cccc(OC(F)(F)F)c1)C(C)C ZINC000159933521 455416490 /nfs/dbraw/zinc/41/64/90/455416490.db2.gz KUFDWQOHBQCXRX-UHFFFAOYSA-N 1 0 346.393 3.363 20 70 EGIDRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(OC)cc2OC)CC1)C1CC1 ZINC000159993139 455421449 /nfs/dbraw/zinc/42/14/49/455421449.db2.gz LQBHBUDHPSYRDB-SFHVURJKSA-N 1 0 346.471 3.087 20 70 EGIDRO CN(C(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000160220084 455439388 /nfs/dbraw/zinc/43/93/88/455439388.db2.gz YTSHOGSTNYWYBD-QGZVFWFLSA-N 1 0 338.407 3.043 20 70 EGIDRO COc1ccc(C[NH+]2CCC(CNC(=O)NC3(C)CCC3)CC2)cc1 ZINC000160260596 455442661 /nfs/dbraw/zinc/44/26/61/455442661.db2.gz QFCXGLZTAVETIS-UHFFFAOYSA-N 1 0 345.487 3.149 20 70 EGIDRO COc1cccc(NC2CC[NH+](Cc3cnc4ccccn34)CC2)c1 ZINC000160352703 455450782 /nfs/dbraw/zinc/45/07/82/455450782.db2.gz OXKHIXRQDYLQDO-UHFFFAOYSA-N 1 0 336.439 3.419 20 70 EGIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1OC ZINC000160351900 455450938 /nfs/dbraw/zinc/45/09/38/455450938.db2.gz MMENBKBWOBDHAB-UKRRQHHQSA-N 1 0 334.851 3.304 20 70 EGIDRO CC(C)c1cc(N2CCC[C@H]2CN2CCOCC2)nc(C(C)C)n1 ZINC000160409956 455455715 /nfs/dbraw/zinc/45/57/15/455455715.db2.gz OUWMYBWQIOQVGA-INIZCTEOSA-N 1 0 332.492 3.024 20 70 EGIDRO COc1cccc(CCC[NH+]2CCN(Cc3nc(C)c(C)o3)CC2)c1 ZINC000160489568 455465401 /nfs/dbraw/zinc/46/54/01/455465401.db2.gz BNLHFMULZSYEFB-UHFFFAOYSA-N 1 0 343.471 3.050 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cc1 ZINC000160490561 455465562 /nfs/dbraw/zinc/46/55/62/455465562.db2.gz XEBCNICCPPADAC-QGZVFWFLSA-N 1 0 340.467 3.378 20 70 EGIDRO CC(C)[NH2+]C1CCN([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000160500716 455466933 /nfs/dbraw/zinc/46/69/33/455466933.db2.gz HBXPGQBVYQTQDN-OAHLLOKOSA-N 1 0 328.460 3.184 20 70 EGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000160522156 455470018 /nfs/dbraw/zinc/47/00/18/455470018.db2.gz MVKMCVYDCZCYLI-INIZCTEOSA-N 1 0 346.438 3.065 20 70 EGIDRO CC(C)OCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160538510 455471858 /nfs/dbraw/zinc/47/18/58/455471858.db2.gz LGTCUVCMRDNNBQ-XYPWUTKMSA-N 1 0 326.481 3.274 20 70 EGIDRO C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccc(F)cc1 ZINC000160559209 455473974 /nfs/dbraw/zinc/47/39/74/455473974.db2.gz WEPJWGQQCBXIPD-JTWUUNPKSA-N 1 0 348.462 3.018 20 70 EGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](COC)Cc2ccccc2)c1 ZINC000160602781 455479452 /nfs/dbraw/zinc/47/94/52/455479452.db2.gz LQMFYGLEPSSHLW-HXUWFJFHSA-N 1 0 340.467 3.174 20 70 EGIDRO [NH3+][C@H]1CC[C@@H](C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000160724838 455491852 /nfs/dbraw/zinc/49/18/52/455491852.db2.gz DGPSETODPRNRSW-JTDSTZFVSA-N 1 0 326.415 3.353 20 70 EGIDRO COC(=O)c1cc(C[N@H+](C)Cc2ccc(Br)cc2)c[nH]1 ZINC000160801502 455499769 /nfs/dbraw/zinc/49/97/69/455499769.db2.gz ZZFNIZLNNBEFME-UHFFFAOYSA-N 1 0 337.217 3.196 20 70 EGIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000160924180 455513900 /nfs/dbraw/zinc/51/39/00/455513900.db2.gz GCIWSEFBVMIHHI-FUHWJXTLSA-N 1 0 332.492 3.372 20 70 EGIDRO CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000160927249 455515107 /nfs/dbraw/zinc/51/51/07/455515107.db2.gz XBBIBJBQJHAXJK-MWDXBVQZSA-N 1 0 332.488 3.460 20 70 EGIDRO CC(C)[NH+](CCSCC(=O)N1CCc2ccccc2C1)C(C)C ZINC000160927464 455515145 /nfs/dbraw/zinc/51/51/45/455515145.db2.gz MTIMWVDIJVVABJ-UHFFFAOYSA-N 1 0 334.529 3.423 20 70 EGIDRO Cc1cc(NC(=O)c2ccc(C[NH3+])cc2)ccc1OC1CCOCC1 ZINC000160939438 455515709 /nfs/dbraw/zinc/51/57/09/455515709.db2.gz WKEBQNXRHWPQLK-UHFFFAOYSA-N 1 0 340.423 3.264 20 70 EGIDRO Cc1ccsc1[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000160941617 455516078 /nfs/dbraw/zinc/51/60/78/455516078.db2.gz AQRABQXAQRXVBU-SJORKVTESA-N 1 0 328.481 3.456 20 70 EGIDRO CC[N@@H+](Cc1ccc(OC)c(O)c1)C[C@@H]1COc2ccccc2O1 ZINC000160952246 455517954 /nfs/dbraw/zinc/51/79/54/455517954.db2.gz DNSWJCBAOUEFDZ-OAHLLOKOSA-N 1 0 329.396 3.063 20 70 EGIDRO Cc1nc2ccccn2c1C[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000160973039 455519553 /nfs/dbraw/zinc/51/95/53/455519553.db2.gz ZNZVBRKZNSDJBP-OAHLLOKOSA-N 1 0 344.459 3.084 20 70 EGIDRO CC[C@H](C(=O)Nc1nc(-c2cc(F)ccc2OC)cs1)[NH+](C)C ZINC000160985512 455521698 /nfs/dbraw/zinc/52/16/98/455521698.db2.gz XAPSTHSBRSPJTC-CYBMUJFWSA-N 1 0 337.420 3.237 20 70 EGIDRO CC[C@@H]1CCCN(C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000161017580 455523832 /nfs/dbraw/zinc/52/38/32/455523832.db2.gz XKENENYVKRBHPF-OAHLLOKOSA-N 1 0 331.495 3.206 20 70 EGIDRO O=C(NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)c1cccc(F)n1 ZINC000161080644 455530706 /nfs/dbraw/zinc/53/07/06/455530706.db2.gz WJQHFPJTSHIEPE-UHFFFAOYSA-N 1 0 347.821 3.269 20 70 EGIDRO C[NH+](C)[C@H](CNC(=O)c1ccnc(Cl)c1F)c1cccc(F)c1 ZINC000161086487 455531900 /nfs/dbraw/zinc/53/19/00/455531900.db2.gz DRPJDMGSUNFIKP-CYBMUJFWSA-N 1 0 339.773 3.046 20 70 EGIDRO O=C(NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccnc(Cl)c1F ZINC000161090867 455532225 /nfs/dbraw/zinc/53/22/25/455532225.db2.gz NMVSJRROIWSLCM-OAHLLOKOSA-N 1 0 347.821 3.441 20 70 EGIDRO C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](c2ccccc2)O1 ZINC000161094065 455532689 /nfs/dbraw/zinc/53/26/89/455532689.db2.gz HYLTWKVYIUWRHM-JXFKEZNVSA-N 1 0 338.451 3.350 20 70 EGIDRO CC(C)Cc1ccc(C(=O)CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161098219 455533053 /nfs/dbraw/zinc/53/30/53/455533053.db2.gz MLHSYFGKBXXFJN-ZWKOTPCHSA-N 1 0 330.472 3.234 20 70 EGIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000161107845 455533723 /nfs/dbraw/zinc/53/37/23/455533723.db2.gz CJQXKJIKEBPTLQ-VDGAXYAQSA-N 1 0 326.488 3.455 20 70 EGIDRO C[NH+](C)[C@H]1CCC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C1 ZINC000161120282 455535976 /nfs/dbraw/zinc/53/59/76/455535976.db2.gz VECFRHOQWHSXHE-NHUHVJRWSA-N 1 0 341.499 3.282 20 70 EGIDRO C[C@@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000161131345 455538357 /nfs/dbraw/zinc/53/83/57/455538357.db2.gz QDUBCRRDXAVWDR-ZCFIWIBFSA-N 1 0 328.306 3.348 20 70 EGIDRO C[C@H]([NH2+][C@@H]1CCCN(Cc2ccc(F)cc2Cl)C1)[C@@H]1CCOC1 ZINC000161143604 455538931 /nfs/dbraw/zinc/53/89/31/455538931.db2.gz ASVWDTZFURXZIV-YSVLISHTSA-N 1 0 340.870 3.458 20 70 EGIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000161234429 455551522 /nfs/dbraw/zinc/55/15/22/455551522.db2.gz IQAFSFYQXOGRDD-CQSZACIVSA-N 1 0 346.862 3.000 20 70 EGIDRO FC(F)(F)c1ccc(OCC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161334025 455559928 /nfs/dbraw/zinc/55/99/28/455559928.db2.gz YVLASXFQSIQQBV-UHFFFAOYSA-N 1 0 345.361 3.360 20 70 EGIDRO c1ccc([C@H]2OCCC[C@H]2C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161355097 455561883 /nfs/dbraw/zinc/56/18/83/455561883.db2.gz YQXBUWKGWVWXSW-PKOBYXMFSA-N 1 0 331.456 3.430 20 70 EGIDRO COc1cccc([C@@H](O)C[NH2+][C@H](C)c2ccc(OC)cc2OC)c1 ZINC000161354313 455562297 /nfs/dbraw/zinc/56/22/97/455562297.db2.gz NSLJEICZVJOQAE-ACJLOTCBSA-N 1 0 331.412 3.097 20 70 EGIDRO O=C(NC[C@H]1CCCCN1CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161368502 455564121 /nfs/dbraw/zinc/56/41/21/455564121.db2.gz QOPCVMAIDZVXJL-HXUWFJFHSA-N 1 0 343.515 3.147 20 70 EGIDRO O=C(NCCC[N@@H+]1CCc2ccccc2C1)c1ccnc(Cl)c1F ZINC000161472222 455572868 /nfs/dbraw/zinc/57/28/68/455572868.db2.gz XIACSOKBUNIFCZ-UHFFFAOYSA-N 1 0 347.821 3.052 20 70 EGIDRO FC(F)COc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161467486 455572912 /nfs/dbraw/zinc/57/29/12/455572912.db2.gz YEEKVJYISSNVLB-UHFFFAOYSA-N 1 0 327.371 3.106 20 70 EGIDRO COC(=O)c1cc(NC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)ccc1C ZINC000161489056 455574537 /nfs/dbraw/zinc/57/45/37/455574537.db2.gz OPTZTERMYBRUGW-GUYCJALGSA-N 1 0 326.396 3.056 20 70 EGIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000161502562 455576212 /nfs/dbraw/zinc/57/62/12/455576212.db2.gz JFZULUHGSYNBLC-APWZRJJASA-N 1 0 338.451 3.240 20 70 EGIDRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000218201753 456034504 /nfs/dbraw/zinc/03/45/04/456034504.db2.gz CQCUHTWFDLBIQV-LJQANCHMSA-N 1 0 334.419 3.414 20 70 EGIDRO C[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)N1CCc2ccccc21 ZINC000159907782 534055171 /nfs/dbraw/zinc/05/51/71/534055171.db2.gz DGYVZTKBXFNFSX-AWEZNQCLSA-N 1 0 341.421 3.054 20 70 EGIDRO CC(C)(C)CCC(=O)NCc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000160236793 527652027 /nfs/dbraw/zinc/65/20/27/527652027.db2.gz RDMJRFIJCPBJKF-UHFFFAOYSA-N 1 0 332.488 3.086 20 70 EGIDRO CCCC(=O)NC[C@@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000160218782 527932902 /nfs/dbraw/zinc/93/29/02/527932902.db2.gz MISKGLJSUCRDCF-SFHVURJKSA-N 1 0 332.488 3.256 20 70 EGIDRO CCCNC(=O)[C@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000159874720 528441766 /nfs/dbraw/zinc/44/17/66/528441766.db2.gz RQGCYTSNBPMZKA-AWEZNQCLSA-N 1 0 345.418 3.219 20 70 EGIDRO CC[C@H](C)Oc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159841165 529191959 /nfs/dbraw/zinc/19/19/59/529191959.db2.gz VYLYIBHLQSAIAP-HNNXBMFYSA-N 1 0 330.472 3.468 20 70 EGIDRO CCOc1ccc([C@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1OCC ZINC000160556657 537706402 /nfs/dbraw/zinc/70/64/02/537706402.db2.gz XXCVRVSEPXAJSB-BBRMVZONSA-N 1 0 344.459 3.050 20 70 EGIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000159657501 283473116 /nfs/dbraw/zinc/47/31/16/283473116.db2.gz CPECZCSDFHKFFX-HNNXBMFYSA-N 1 0 333.229 3.166 20 70 EGIDRO COc1cc(-c2nc(C[N@H+](C)C[C@@H]3CCC[C@@H]3O)cs2)ccc1O ZINC000159777626 533454817 /nfs/dbraw/zinc/45/48/17/533454817.db2.gz SBHZDBJDMZLLMK-ZFWWWQNUSA-N 1 0 348.468 3.117 20 70 EGIDRO CSCC[C@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000159675059 533645775 /nfs/dbraw/zinc/64/57/75/533645775.db2.gz SVEUMBUQPFPRIS-HNNXBMFYSA-N 1 0 338.542 3.288 20 70 EGIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)C3CCOCC3)CC2)cc1 ZINC000161055728 140966677 /nfs/dbraw/zinc/96/66/77/140966677.db2.gz DXZONLWIVJATPK-INIZCTEOSA-N 1 0 330.472 3.004 20 70 EGIDRO Cc1nc(CC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)s1 ZINC000161357238 140970975 /nfs/dbraw/zinc/97/09/75/140970975.db2.gz NIFXPDFXXCAQIP-CHWSQXEVSA-N 1 0 337.533 3.175 20 70 EGIDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000161004004 152770447 /nfs/dbraw/zinc/77/04/47/152770447.db2.gz MFJPDWWRXDFFQX-WMLDXEAASA-N 1 0 329.465 3.471 20 70 EGIDRO O=C([C@H]1C[C@H]1c1c(F)cccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159789293 225278781 /nfs/dbraw/zinc/27/87/81/225278781.db2.gz NSQOFJNYGUXUFL-CABCVRRESA-N 1 0 334.410 3.059 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2cccc(F)c2)CC1 ZINC000159961460 225310903 /nfs/dbraw/zinc/31/09/03/225310903.db2.gz HXDZBWAWEZUWJW-UHFFFAOYSA-N 1 0 335.467 3.132 20 70 EGIDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCn1cccc1 ZINC000159657182 225255507 /nfs/dbraw/zinc/25/55/07/225255507.db2.gz LFBHVPBPTAJHAG-LJQANCHMSA-N 1 0 339.483 3.391 20 70 EGIDRO C[C@H](Cc1ccccc1Cl)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160089441 225335671 /nfs/dbraw/zinc/33/56/71/225335671.db2.gz OYIABCKXJMISRF-KYJSFNMBSA-N 1 0 334.891 3.461 20 70 EGIDRO O=C(CC1CCCCCC1)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160471631 264873412 /nfs/dbraw/zinc/87/34/12/264873412.db2.gz IEGSIJPIKMJZIP-MOPGFXCFSA-N 1 0 336.520 3.231 20 70 EGIDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@H](O)Cc1ccccc1 ZINC000218686362 266194743 /nfs/dbraw/zinc/19/47/43/266194743.db2.gz ZOFNSMCZOHNAER-QGZVFWFLSA-N 1 0 334.257 3.485 20 70 EGIDRO CC[C@@H](C)[N@H+](C)CCNCc1cc(Br)ccc1OC ZINC000217379691 266195082 /nfs/dbraw/zinc/19/50/82/266195082.db2.gz BRXFKPLZNRNMMI-GFCCVEGCSA-N 1 0 329.282 3.278 20 70 EGIDRO COC[C@H]([NH2+]C[C@H](C)Oc1ccccc1Br)C1CC1 ZINC000160404875 307889444 /nfs/dbraw/zinc/88/94/44/307889444.db2.gz LHHFQYKIVMJEJB-FZMZJTMJSA-N 1 0 328.250 3.231 20 70 EGIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(-c2ccncc2)cc1 ZINC000160552794 307891565 /nfs/dbraw/zinc/89/15/65/307891565.db2.gz BXZFWPQYIVTXLG-GFCCVEGCSA-N 1 0 337.345 3.078 20 70 EGIDRO CC1(C)CC(NC(=O)CCc2nnc(C3CCCC3)o2)CC(C)(C)[NH2+]1 ZINC000161032140 307897504 /nfs/dbraw/zinc/89/75/04/307897504.db2.gz FSBUTBSKJJIBEI-UHFFFAOYSA-N 1 0 348.491 3.085 20 70 EGIDRO COC(=O)c1cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)ccc1C ZINC000161488668 307903500 /nfs/dbraw/zinc/90/35/00/307903500.db2.gz MYVKDWPYJMBXRY-KRWDZBQOSA-N 1 0 326.396 3.200 20 70 EGIDRO CS[C@@H](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000161503751 307903561 /nfs/dbraw/zinc/90/35/61/307903561.db2.gz SJCSYVMLKJHSNQ-ZDUSSCGKSA-N 1 0 328.909 3.372 20 70 EGIDRO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000159505077 455381129 /nfs/dbraw/zinc/38/11/29/455381129.db2.gz JBWMJIKJVWISSH-CVEARBPZSA-N 1 0 340.471 3.082 20 70 EGIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159508703 455381290 /nfs/dbraw/zinc/38/12/90/455381290.db2.gz ZDSNAWOMQKFKFE-HIFRSBDPSA-N 1 0 342.405 3.342 20 70 EGIDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000159513665 455382560 /nfs/dbraw/zinc/38/25/60/455382560.db2.gz RPEOUYPFKVQDDM-MRXNPFEDSA-N 1 0 330.472 3.470 20 70 EGIDRO CCCCn1ncc(NC(=O)N[C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000159610011 455389392 /nfs/dbraw/zinc/38/93/92/455389392.db2.gz HKEMKIGRNJBCQS-XHSDSOJGSA-N 1 0 349.523 3.480 20 70 EGIDRO CC(C)CC[NH+]1CCC(CNC(=O)c2cccc3[nH]cnc32)CC1 ZINC000159827784 455408046 /nfs/dbraw/zinc/40/80/46/455408046.db2.gz ZANXVBBSODPDCN-UHFFFAOYSA-N 1 0 328.460 3.051 20 70 EGIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1c[nH]c2ccc(Cl)cc12 ZINC000159750551 455400932 /nfs/dbraw/zinc/40/09/32/455400932.db2.gz DQJFLZKEWFPOFL-ZDUSSCGKSA-N 1 0 333.863 3.354 20 70 EGIDRO CCOc1ccccc1CCC(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159799016 455405363 /nfs/dbraw/zinc/40/53/63/455405363.db2.gz WPSYQQRHUALWAU-UHFFFAOYSA-N 1 0 330.472 3.009 20 70 EGIDRO CSCC[C@H](C)N(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160183032 455435324 /nfs/dbraw/zinc/43/53/24/455435324.db2.gz QTJOXSQIERZLSW-JZXOWHBKSA-N 1 0 349.544 3.432 20 70 EGIDRO CC1(C)C[C@@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000160442154 455459115 /nfs/dbraw/zinc/45/91/15/455459115.db2.gz KXXVTGVPIHEVDT-LBPRGKRZSA-N 1 0 338.249 3.144 20 70 EGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1cccc2cccnc21 ZINC000160421006 455457203 /nfs/dbraw/zinc/45/72/03/455457203.db2.gz LGHGCVIQIBDAFD-GOSISDBHSA-N 1 0 325.456 3.014 20 70 EGIDRO CC[C@@H]([NH2+]CCN(C)CCOC)c1ccccc1Br ZINC000159432559 455376647 /nfs/dbraw/zinc/37/66/47/455376647.db2.gz VBEWPLLDWCAJOW-OAHLLOKOSA-N 1 0 329.282 3.068 20 70 EGIDRO C[N@@H+]1CCC[C@H](CNC(=O)N[C@@H]2CCC[C@@H]2Cc2ccccc2)C1 ZINC000159448822 455377533 /nfs/dbraw/zinc/37/75/33/455377533.db2.gz XQJBCEOOTGJGDS-GUDVDZBRSA-N 1 0 329.488 3.039 20 70 EGIDRO Cc1cc(NC(=O)c2ccc(C[NH3+])o2)ccc1OCC(F)(F)F ZINC000159566043 455385875 /nfs/dbraw/zinc/38/58/75/455385875.db2.gz AHLJWKWIZVHSPQ-UHFFFAOYSA-N 1 0 328.290 3.240 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000159879253 455412450 /nfs/dbraw/zinc/41/24/50/455412450.db2.gz IIVSKVRVPJEVLN-CQSZACIVSA-N 1 0 347.356 3.166 20 70 EGIDRO CC(C)[NH2+]CCC(=O)Nc1cnn(-c2cccc(C(F)(F)F)c2)c1 ZINC000159997752 455421358 /nfs/dbraw/zinc/42/13/58/455421358.db2.gz NWRSQLSOGQNOJU-UHFFFAOYSA-N 1 0 340.349 3.218 20 70 EGIDRO COc1cc(C2(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)CC2)ccc1C ZINC000160062213 455425058 /nfs/dbraw/zinc/42/50/58/455425058.db2.gz WBOZDDHEIRWATE-KRWDZBQOSA-N 1 0 344.499 3.416 20 70 EGIDRO CCOc1ccccc1Oc1ccccc1C(=O)NCC(C)(C)[NH3+] ZINC000160075373 455426146 /nfs/dbraw/zinc/42/61/46/455426146.db2.gz WAZYFNTWVJNHIY-UHFFFAOYSA-N 1 0 328.412 3.345 20 70 EGIDRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)c1ccc(Br)cc1 ZINC000160136359 455431773 /nfs/dbraw/zinc/43/17/73/455431773.db2.gz FNHJDRKBBJAVEJ-GFCCVEGCSA-N 1 0 327.266 3.009 20 70 EGIDRO Fc1ccc(-c2noc([C@H]3CCC[N@H+](CCOCC4CC4)C3)n2)cc1 ZINC000160150024 455433074 /nfs/dbraw/zinc/43/30/74/455433074.db2.gz OOMBVYDRTKCINI-INIZCTEOSA-N 1 0 345.418 3.482 20 70 EGIDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1cccc2[nH]ccc21 ZINC000160237875 455441106 /nfs/dbraw/zinc/44/11/06/455441106.db2.gz PVVLVOAFZJRRSU-UHFFFAOYSA-N 1 0 339.414 3.445 20 70 EGIDRO C[C@@H](CNC(=O)c1cc(F)cc2cccnc21)[N@@H+]1CCC[C@H](C)C1 ZINC000160459605 455460876 /nfs/dbraw/zinc/46/08/76/455460876.db2.gz WCXWUTNYRLQJFM-KBPBESRZSA-N 1 0 329.419 3.224 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C2CC2)nc2onc(C(C)C)c21 ZINC000160474232 455463446 /nfs/dbraw/zinc/46/34/46/455463446.db2.gz BQLDNCQLJPZMGH-UHFFFAOYSA-N 1 0 344.459 3.471 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)C1 ZINC000160481754 455464962 /nfs/dbraw/zinc/46/49/62/455464962.db2.gz MGODJSCLVGZLPX-NTYUQYKDSA-N 1 0 330.375 3.132 20 70 EGIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000160499668 455466817 /nfs/dbraw/zinc/46/68/17/455466817.db2.gz WCPXOKOKRNVXSZ-OLZOCXBDSA-N 1 0 341.293 3.399 20 70 EGIDRO CC1(C)CCC(C(=O)NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)CC1 ZINC000160502991 455466912 /nfs/dbraw/zinc/46/69/12/455466912.db2.gz RCRPPPGMHCAYGD-ROUUACIJSA-N 1 0 336.520 3.087 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)CCc1ccccc1Br ZINC000160527617 455470064 /nfs/dbraw/zinc/47/00/64/455470064.db2.gz JPIHZHQCJKOGGE-UHFFFAOYSA-N 1 0 327.266 3.015 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(SCc3csc(C)n3)cc2)C1 ZINC000160596662 455478189 /nfs/dbraw/zinc/47/81/89/455478189.db2.gz OOTQRZIMDNPGNN-CQSZACIVSA-N 1 0 347.509 3.178 20 70 EGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(C(C)C)c2)c1 ZINC000160632951 455482010 /nfs/dbraw/zinc/48/20/10/455482010.db2.gz FLOISLQFLAHPCP-HNNXBMFYSA-N 1 0 328.460 3.455 20 70 EGIDRO C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N(C)C)cc2F)C1 ZINC000160693218 455488759 /nfs/dbraw/zinc/48/87/59/455488759.db2.gz JPARUFNQVIIWLL-AWEZNQCLSA-N 1 0 335.467 3.132 20 70 EGIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCC[C@H]1c1ccco1 ZINC000160746854 455495238 /nfs/dbraw/zinc/49/52/38/455495238.db2.gz BRQKRVAWITVGCB-IRXDYDNUSA-N 1 0 331.460 3.391 20 70 EGIDRO CN(C(=O)c1cc(Cl)c[nH]1)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160877735 455507435 /nfs/dbraw/zinc/50/74/35/455507435.db2.gz SMYUKGNWRHIUCP-UHFFFAOYSA-N 1 0 347.846 3.419 20 70 EGIDRO O=C(/C=C/c1ccc(Cl)c(C(F)(F)F)c1)N1CCC[NH2+]CC1 ZINC000160871541 455507480 /nfs/dbraw/zinc/50/74/80/455507480.db2.gz ZWYLREDGOIUXLX-HWKANZROSA-N 1 0 332.753 3.194 20 70 EGIDRO CC(C)N(Cc1cccnc1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160894608 455510539 /nfs/dbraw/zinc/51/05/39/455510539.db2.gz PMHZTUPYWBQWBW-QGZVFWFLSA-N 1 0 330.476 3.019 20 70 EGIDRO Cc1c([C@@H](C)[NH2+]CC(=O)NC(C)C)cnn1-c1cccc(Cl)c1 ZINC000160909756 455512050 /nfs/dbraw/zinc/51/20/50/455512050.db2.gz JUKMOTKBBJIAHG-GFCCVEGCSA-N 1 0 334.851 3.009 20 70 EGIDRO COc1ccc([C@H](Cc2ccc(F)cc2)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160958147 455518700 /nfs/dbraw/zinc/51/87/00/455518700.db2.gz JWUJTBNZJBHHDS-IBGZPJMESA-N 1 0 344.430 3.232 20 70 EGIDRO CC(C)[NH+](CCSCc1cc(=O)n2ccsc2n1)C(C)C ZINC000161017971 455523944 /nfs/dbraw/zinc/52/39/44/455523944.db2.gz RWXXAMJKHJVLRM-UHFFFAOYSA-N 1 0 325.503 3.108 20 70 EGIDRO CC[NH+]1CCN(Cc2cc(Br)cc3cccnc32)CC1 ZINC000161075422 455530871 /nfs/dbraw/zinc/53/08/71/455530871.db2.gz FUPRECZIJHFNDY-UHFFFAOYSA-N 1 0 334.261 3.135 20 70 EGIDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2ccncc2C)C1 ZINC000161129243 455537207 /nfs/dbraw/zinc/53/72/07/455537207.db2.gz WVQVVBOQEMNQSS-KRWDZBQOSA-N 1 0 346.519 3.132 20 70 EGIDRO CCc1ccc(-c2nc(CC(=O)N3CCC[C@@H]3C[NH2+]C)cs2)cc1 ZINC000161156280 455540798 /nfs/dbraw/zinc/54/07/98/455540798.db2.gz ADDBOIRHLWMNIO-QGZVFWFLSA-N 1 0 343.496 3.125 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000161194968 455546332 /nfs/dbraw/zinc/54/63/32/455546332.db2.gz DSNOOZJPHANUEZ-MRXNPFEDSA-N 1 0 335.496 3.029 20 70 EGIDRO COc1cc(-c2ccccc2)sc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161287805 455556062 /nfs/dbraw/zinc/55/60/62/455556062.db2.gz POUKGTASKCYQNN-ZIAGYGMSSA-N 1 0 330.453 3.423 20 70 EGIDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc2c(c1)OCCO2 ZINC000161314313 455558262 /nfs/dbraw/zinc/55/82/62/455558262.db2.gz ICLHWHOMAYQNKN-MSOLQXFVSA-N 1 0 343.423 3.241 20 70 EGIDRO Brc1ccc(CC[NH2+]C2CCC3(CC2)OCCO3)s1 ZINC000161364966 455562886 /nfs/dbraw/zinc/56/28/86/455562886.db2.gz DQLYIQQWPSZGFH-UHFFFAOYSA-N 1 0 346.290 3.328 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)CSC(C)(C)C)c1 ZINC000161445179 455571598 /nfs/dbraw/zinc/57/15/98/455571598.db2.gz YCADQJMZUULOIH-QWHCGFSZSA-N 1 0 344.546 3.166 20 70 EGIDRO C[C@@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000161472956 455572689 /nfs/dbraw/zinc/57/26/89/455572689.db2.gz FJHPQJPYQOJELB-GOEBONIOSA-N 1 0 343.858 3.309 20 70 EGIDRO CC1CC[NH+](C2CCC(NC(=O)CC[C@H]3CCCCO3)CC2)CC1 ZINC000161491951 455574932 /nfs/dbraw/zinc/57/49/32/455574932.db2.gz QAGUYQOIWLGJCL-CTWPCTMYSA-N 1 0 336.520 3.495 20 70 EGIDRO Cc1cc(F)ccc1N1CCC[C@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161509335 455576057 /nfs/dbraw/zinc/57/60/57/455576057.db2.gz QEAHBYWJACUNNN-SFHVURJKSA-N 1 0 348.462 3.378 20 70 EGIDRO CC(=O)NC1CCC([NH2+]C2CCN([C@H](C)c3ccccc3)CC2)CC1 ZINC000161507731 455576067 /nfs/dbraw/zinc/57/60/67/455576067.db2.gz GXPGRJJSDVPQEI-PBPGXSGUSA-N 1 0 343.515 3.249 20 70 EGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]CCOc1cccc2ccccc21 ZINC000160815487 517637338 /nfs/dbraw/zinc/63/73/38/517637338.db2.gz XMCGVTVSETZSOF-INIZCTEOSA-N 1 0 328.456 3.455 20 70 EGIDRO CC(C)c1ccc(OCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159831840 528117892 /nfs/dbraw/zinc/11/78/92/528117892.db2.gz CYERWPFCWMDTNE-UHFFFAOYSA-N 1 0 330.472 3.179 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)cc1 ZINC000159533078 529163687 /nfs/dbraw/zinc/16/36/87/529163687.db2.gz KRZXQNGQBHAPLJ-HNAYVOBHSA-N 1 0 347.480 3.039 20 70 EGIDRO Fc1ccc2c(c1)[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000161160504 546953295 /nfs/dbraw/zinc/95/32/95/546953295.db2.gz ADMWIGWTMBVMFH-KRWDZBQOSA-N 1 0 328.435 3.353 20 70 EGIDRO C[C@@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1cccc(-n2cnnn2)c1 ZINC000161347750 546954725 /nfs/dbraw/zinc/95/47/25/546954725.db2.gz YTTCQMQFWTVJGZ-CQSZACIVSA-N 1 0 337.402 3.184 20 70 EGIDRO CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000216717799 574770403 /nfs/dbraw/zinc/77/04/03/574770403.db2.gz NXLBBYLWVNPSBP-DOTOQJQBSA-N 1 0 346.471 3.417 20 70 EGIDRO CC[C@H](COC)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159586160 529399406 /nfs/dbraw/zinc/39/94/06/529399406.db2.gz OTGBBCRYDSFWPH-IEBWSBKVSA-N 1 0 326.440 3.251 20 70 EGIDRO C[C@@H]([NH2+]CC[C@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218245560 241308276 /nfs/dbraw/zinc/30/82/76/241308276.db2.gz GMMQYIOEPGNATJ-OLZOCXBDSA-N 1 0 325.478 3.441 20 70 EGIDRO C[C@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(O)c1 ZINC000159774654 225274629 /nfs/dbraw/zinc/27/46/29/225274629.db2.gz DALMKRRJGKMMAJ-DOTOQJQBSA-N 1 0 331.460 3.113 20 70 EGIDRO NC(=O)CC1CC[NH+](Cc2ccc(OC(F)F)c(Cl)c2)CC1 ZINC000159842983 225287793 /nfs/dbraw/zinc/28/77/93/225287793.db2.gz UZLOAMIBYQYNMG-UHFFFAOYSA-N 1 0 332.778 3.029 20 70 EGIDRO O=C(C[C@@H]1CSCCS1)Nc1ccc(-n2ccnc2)c(F)c1 ZINC000159875936 225294457 /nfs/dbraw/zinc/29/44/57/225294457.db2.gz SNXNSLQQOBNDMZ-GFCCVEGCSA-N 1 0 337.445 3.189 20 70 EGIDRO Cc1noc(-c2cccnc2N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000160214942 225363149 /nfs/dbraw/zinc/36/31/49/225363149.db2.gz ZOBCASOWGUIRCH-KBXCAEBGSA-N 1 0 349.438 3.372 20 70 EGIDRO Cc1nn(-c2ccc(Cl)cc2)cc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159585430 264863258 /nfs/dbraw/zinc/86/32/58/264863258.db2.gz VKQDUMCCQBWFIO-UHFFFAOYSA-N 1 0 346.862 3.226 20 70 EGIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)NCC1(CCOC)CCCC1 ZINC000160474273 288197138 /nfs/dbraw/zinc/19/71/38/288197138.db2.gz XWFLEMHOZXMLCS-KRWDZBQOSA-N 1 0 339.524 3.147 20 70 EGIDRO Cc1cccc2c(CCC(=O)N[C@H](C)C[NH+]3CCCCC3)c[nH]c21 ZINC000160365658 307888610 /nfs/dbraw/zinc/88/86/10/307888610.db2.gz MNOULQBHLNVRQS-MRXNPFEDSA-N 1 0 327.472 3.400 20 70 EGIDRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1CO ZINC000160478264 307890594 /nfs/dbraw/zinc/89/05/94/307890594.db2.gz RXWKMZUSFPFGPZ-QAPCUYQASA-N 1 0 348.487 3.447 20 70 EGIDRO CS(=O)(=O)CCCC[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000161236488 307900440 /nfs/dbraw/zinc/90/04/40/307900440.db2.gz KFQKCLFGVUBZQG-LJQANCHMSA-N 1 0 331.481 3.385 20 70 EGIDRO Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)CCCO2 ZINC000161268963 307901090 /nfs/dbraw/zinc/90/10/90/307901090.db2.gz CKBJBXPTCMXKPR-OCCSQVGLSA-N 1 0 332.341 3.266 20 70 EGIDRO COc1ccc(OC)c(CC[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000161438234 307902693 /nfs/dbraw/zinc/90/26/93/307902693.db2.gz QSXQFBGPFXYVHI-CYBMUJFWSA-N 1 0 329.396 3.326 20 70 EGIDRO COC(=O)C[C@@H](NC(=O)CC[NH2+]C(C)C)c1ccc(C(C)(C)C)cc1 ZINC000161431914 307902823 /nfs/dbraw/zinc/90/28/23/307902823.db2.gz ABHIZLMWYYJVFN-QGZVFWFLSA-N 1 0 348.487 3.093 20 70 EGIDRO CCC[C@H](C)[C@@H](CC)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161461130 307903108 /nfs/dbraw/zinc/90/31/08/307903108.db2.gz SFWXULDYLCVFSA-GRDNDAEWSA-N 1 0 326.506 3.460 20 70 EGIDRO COC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)C(C)C ZINC000159577368 455387034 /nfs/dbraw/zinc/38/70/34/455387034.db2.gz ADCATKKEVBHTLV-VQTJNVASSA-N 1 0 340.467 3.497 20 70 EGIDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000159652545 455392694 /nfs/dbraw/zinc/39/26/94/455392694.db2.gz HRMHCXATGXWYPE-UHFFFAOYSA-N 1 0 347.256 3.426 20 70 EGIDRO CC(C)[C@H]([NH3+])C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000159656935 455393740 /nfs/dbraw/zinc/39/37/40/455393740.db2.gz SRIKEIIHVPPUKV-MFKMUULPSA-N 1 0 345.306 3.029 20 70 EGIDRO CC[C@H](C)OCC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000159654260 455394054 /nfs/dbraw/zinc/39/40/54/455394054.db2.gz ZDPLVQWDJUJSGX-WMZOPIPTSA-N 1 0 348.487 3.154 20 70 EGIDRO [NH3+][C@@H](C(=O)N[C@H](Cc1ccccc1)C1CC1)c1cccc(Cl)c1 ZINC000159827176 455408249 /nfs/dbraw/zinc/40/82/49/455408249.db2.gz BADUUYZUZMUEPQ-QZTJIDSGSA-N 1 0 328.843 3.477 20 70 EGIDRO CCO[C@@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C1(C)C ZINC000159794550 455405279 /nfs/dbraw/zinc/40/52/79/455405279.db2.gz JYINMCDFNAMPML-DLBZAZTESA-N 1 0 338.536 3.407 20 70 EGIDRO Cc1c([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)nnn1-c1ccc(Cl)cc1 ZINC000160565471 455475082 /nfs/dbraw/zinc/47/50/82/455475082.db2.gz LGQZZCKOODAUAL-QEORTHHSSA-N 1 0 348.878 3.431 20 70 EGIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000160760773 455495870 /nfs/dbraw/zinc/49/58/70/455495870.db2.gz XGHWDDGWYHEVCR-QGZVFWFLSA-N 1 0 347.890 3.498 20 70 EGIDRO CCc1ccc([C@H](CO)[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000160792334 455499252 /nfs/dbraw/zinc/49/92/52/455499252.db2.gz RWJFKDZZIVEFRU-KRWDZBQOSA-N 1 0 347.842 3.497 20 70 EGIDRO CC[C@@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(F)cc1 ZINC000160812532 455501714 /nfs/dbraw/zinc/50/17/14/455501714.db2.gz MTQFTULBIVCHMQ-QZTJIDSGSA-N 1 0 338.492 3.074 20 70 EGIDRO COc1ccc(CN(C)Cc2ccccc2NC(C)=O)c(OC)c1 ZINC000160838604 455503586 /nfs/dbraw/zinc/50/35/86/455503586.db2.gz LQPQHZUUVPHERE-UHFFFAOYSA-N 1 0 328.412 3.294 20 70 EGIDRO CC(C)n1nccc1C(=O)Nc1nc(CN2CCC[C@@H](C)C2)cs1 ZINC000160838555 455503912 /nfs/dbraw/zinc/50/39/12/455503912.db2.gz JYNXYWGJDNMAQJ-CYBMUJFWSA-N 1 0 347.488 3.405 20 70 EGIDRO CC[C@@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000159447316 455376848 /nfs/dbraw/zinc/37/68/48/455376848.db2.gz WWEAOACRLSOMMX-BLLLJJGKSA-N 1 0 325.403 3.057 20 70 EGIDRO CC(C)c1nn(-c2ccccc2)cc1C[NH+]1CCC(CC(N)=O)CC1 ZINC000159716847 455398408 /nfs/dbraw/zinc/39/84/08/455398408.db2.gz ZMUXGGCTSWNXJN-UHFFFAOYSA-N 1 0 340.471 3.083 20 70 EGIDRO CC(C)(C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000159958291 455418469 /nfs/dbraw/zinc/41/84/69/455418469.db2.gz NHKKYECTMYEOKS-GASCZTMLSA-N 1 0 340.389 3.336 20 70 EGIDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000160083363 455427343 /nfs/dbraw/zinc/42/73/43/455427343.db2.gz WKONDQUEOKSILT-VXGBXAGGSA-N 1 0 333.284 3.177 20 70 EGIDRO Cc1cccnc1[C@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)C(C)C ZINC000160113087 455429688 /nfs/dbraw/zinc/42/96/88/455429688.db2.gz NDWBKEQFQFJEAW-IAGOWNOFSA-N 1 0 332.492 3.069 20 70 EGIDRO CN(C(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccc2c(c1)OCO2 ZINC000160219959 455439701 /nfs/dbraw/zinc/43/97/01/455439701.db2.gz YTSHOGSTNYWYBD-KRWDZBQOSA-N 1 0 338.407 3.043 20 70 EGIDRO C[C@@]1(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCCS1 ZINC000160309971 455447441 /nfs/dbraw/zinc/44/74/41/455447441.db2.gz ZNOBACQYONRXSZ-HKUYNNGSSA-N 1 0 347.528 3.408 20 70 EGIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(F)cc2)n1 ZINC000160333925 455448115 /nfs/dbraw/zinc/44/81/15/455448115.db2.gz BAAINOAOQZJWLO-QFBILLFUSA-N 1 0 330.403 3.106 20 70 EGIDRO Fc1cc2ncc(N3CCC[C@H]3C[NH+]3CCCCC3)nc2cc1F ZINC000160429384 455458055 /nfs/dbraw/zinc/45/80/55/455458055.db2.gz KFSCSYIXSODRSO-ZDUSSCGKSA-N 1 0 332.398 3.363 20 70 EGIDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@@H]1CCCc2sccc21 ZINC000160438252 455459339 /nfs/dbraw/zinc/45/93/39/455459339.db2.gz WLNAEHBUFYKIPT-MRXNPFEDSA-N 1 0 348.512 3.277 20 70 EGIDRO O=C(NC[C@@H]1CCC[N@H+](CCOCC2CC2)C1)Nc1cccc(F)c1 ZINC000160446136 455460344 /nfs/dbraw/zinc/46/03/44/455460344.db2.gz CUEDKUVUOPNKML-INIZCTEOSA-N 1 0 349.450 3.086 20 70 EGIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]CCSc1ccccc1 ZINC000160518282 455468425 /nfs/dbraw/zinc/46/84/25/455468425.db2.gz PTHQTVXRYQLUPQ-LBPRGKRZSA-N 1 0 340.290 3.416 20 70 EGIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(OC(F)F)cc1 ZINC000160523223 455469854 /nfs/dbraw/zinc/46/98/54/455469854.db2.gz QKFNNKSIQWBWRE-DZGCQCFKSA-N 1 0 336.386 3.244 20 70 EGIDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000160533308 455471051 /nfs/dbraw/zinc/47/10/51/455471051.db2.gz PKBLRSNCNGMLOB-AOIWGVFYSA-N 1 0 330.520 3.280 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000160816351 455501584 /nfs/dbraw/zinc/50/15/84/455501584.db2.gz LPIGWZCSEWOQFB-UONOGXRCSA-N 1 0 326.362 3.123 20 70 EGIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000160902334 455510884 /nfs/dbraw/zinc/51/08/84/455510884.db2.gz MBSYDAGOQYPZFA-OAHLLOKOSA-N 1 0 342.487 3.096 20 70 EGIDRO CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@@H]1COc2ccccc2O1 ZINC000160951962 455517834 /nfs/dbraw/zinc/51/78/34/455517834.db2.gz LHBXIRPDQYYQOY-GOSISDBHSA-N 1 0 340.423 3.307 20 70 EGIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000160962974 455518705 /nfs/dbraw/zinc/51/87/05/455518705.db2.gz QROGPJYKPLPFRE-QZTJIDSGSA-N 1 0 340.492 3.335 20 70 EGIDRO Cc1noc(C)c1[C@@H](C)CC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000160973789 455519566 /nfs/dbraw/zinc/51/95/66/455519566.db2.gz DZFADFJRRRROJL-YOEHRIQHSA-N 1 0 335.492 3.269 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(CC)c2)c1 ZINC000161048160 455528235 /nfs/dbraw/zinc/52/82/35/455528235.db2.gz OEIZZPRRRGMCAN-HUUCEWRRSA-N 1 0 328.460 3.282 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000161099036 455532414 /nfs/dbraw/zinc/53/24/14/455532414.db2.gz ZOANWGYDLAEOBI-UHFFFAOYSA-N 1 0 347.846 3.457 20 70 EGIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000161107718 455534164 /nfs/dbraw/zinc/53/41/64/455534164.db2.gz CJQXKJIKEBPTLQ-AHRSYUTCSA-N 1 0 326.488 3.455 20 70 EGIDRO CCC(CC)c1cc(CNC(=O)c2cccn2C2CC[NH2+]CC2)on1 ZINC000161110951 455535157 /nfs/dbraw/zinc/53/51/57/455535157.db2.gz FFRQGAFBIYFPMX-UHFFFAOYSA-N 1 0 344.459 3.234 20 70 EGIDRO Fc1ccccc1CSCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161204722 455547929 /nfs/dbraw/zinc/54/79/29/455547929.db2.gz VEBSBCYARUIDAK-UHFFFAOYSA-N 1 0 325.449 3.334 20 70 EGIDRO CC(C)CN(C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1)C1CC1 ZINC000161237225 455551273 /nfs/dbraw/zinc/55/12/73/455551273.db2.gz SSYRFIXSIUDYIC-MRXNPFEDSA-N 1 0 344.503 3.437 20 70 EGIDRO CC(C)C[N@@H+]1CCC[C@H](CNc2ncc(Br)cn2)C1 ZINC000161295535 455556809 /nfs/dbraw/zinc/55/68/09/455556809.db2.gz MKFGHKKUNZNHRF-GFCCVEGCSA-N 1 0 327.270 3.019 20 70 EGIDRO CCCN(CC1CC1)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161339314 455560990 /nfs/dbraw/zinc/56/09/90/455560990.db2.gz NOIVIANVVZHQCB-INIZCTEOSA-N 1 0 344.503 3.439 20 70 EGIDRO C[C@H](CNC(=O)c1cc(F)cc2cccnc21)C[NH+]1CCCCC1 ZINC000161386184 455565016 /nfs/dbraw/zinc/56/50/16/455565016.db2.gz BOTQNPHSMJHCEN-CQSZACIVSA-N 1 0 329.419 3.226 20 70 EGIDRO COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000161393131 455565620 /nfs/dbraw/zinc/56/56/20/455565620.db2.gz CLQXYKYTQNBIOH-QGZVFWFLSA-N 1 0 331.456 3.479 20 70 EGIDRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000161396560 455565829 /nfs/dbraw/zinc/56/58/29/455565829.db2.gz ZKLAZRWAMLJWPG-KRWDZBQOSA-N 1 0 340.471 3.391 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000161427521 455569692 /nfs/dbraw/zinc/56/96/92/455569692.db2.gz NQJIIOHPYLQBJE-JKSUJKDBSA-N 1 0 334.423 3.025 20 70 EGIDRO Cc1ccc(C(=O)CC[NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000161479908 455573486 /nfs/dbraw/zinc/57/34/86/455573486.db2.gz MUQRKBUYJOUZIN-CQSZACIVSA-N 1 0 338.407 3.250 20 70 EGIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H](CCO)C(C)(C)C ZINC000161506027 455576447 /nfs/dbraw/zinc/57/64/47/455576447.db2.gz HMKPLYFCZBJTOW-SFHVURJKSA-N 1 0 349.519 3.125 20 70 EGIDRO Cc1ccc(CCNC(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)cc1 ZINC000217225097 456032559 /nfs/dbraw/zinc/03/25/59/456032559.db2.gz OOFJQJYCXDALJV-LJQANCHMSA-N 1 0 343.446 3.279 20 70 EGIDRO CCOCCC1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CCC1 ZINC000161352190 528605156 /nfs/dbraw/zinc/60/51/56/528605156.db2.gz LKMIHKMVENOAJU-GOSISDBHSA-N 1 0 348.487 3.011 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1 ZINC000160480425 528945589 /nfs/dbraw/zinc/94/55/89/528945589.db2.gz NHRGIEAWQGMYFO-UONOGXRCSA-N 1 0 328.378 3.443 20 70 EGIDRO CC(C)[NH+]1CCN(C(=O)Nc2cccc(N3CCC(C)CC3)c2)CC1 ZINC000159752402 529038178 /nfs/dbraw/zinc/03/81/78/529038178.db2.gz OFTGKJCVJCNHGM-UHFFFAOYSA-N 1 0 344.503 3.481 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccccc2)cc1 ZINC000159532949 529163805 /nfs/dbraw/zinc/16/38/05/529163805.db2.gz KRZXQNGQBHAPLJ-DNVCBOLYSA-N 1 0 347.480 3.039 20 70 EGIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000160246807 529200583 /nfs/dbraw/zinc/20/05/83/529200583.db2.gz RWONPVJRJJSDPG-INIZCTEOSA-N 1 0 347.484 3.326 20 70 EGIDRO CC[C@H](CC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(C)cc1 ZINC000160334197 529303973 /nfs/dbraw/zinc/30/39/73/529303973.db2.gz AUVJATPQJMUSQB-QGZVFWFLSA-N 1 0 332.488 3.106 20 70 EGIDRO COc1ncccc1NC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160543478 538131064 /nfs/dbraw/zinc/13/10/64/538131064.db2.gz LMPUDMDWKWQUNY-UHFFFAOYSA-N 1 0 346.475 3.210 20 70 EGIDRO CC[C@@H](COC)[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159585781 529520012 /nfs/dbraw/zinc/52/00/12/529520012.db2.gz OTGBBCRYDSFWPH-HKUYNNGSSA-N 1 0 326.440 3.251 20 70 EGIDRO CN(C)c1cccc(C[N@H+](C)CCc2nc(-c3ccccc3)no2)c1 ZINC000159825558 529938628 /nfs/dbraw/zinc/93/86/28/529938628.db2.gz AZZXXDCBKWNWPW-UHFFFAOYSA-N 1 0 336.439 3.477 20 70 EGIDRO [NH3+][C@@H]1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000159642841 283566044 /nfs/dbraw/zinc/56/60/44/283566044.db2.gz MDEHXOXTQMKQET-OAHLLOKOSA-N 1 0 333.229 3.166 20 70 EGIDRO COc1ccc(CC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cc1 ZINC000161459339 286298420 /nfs/dbraw/zinc/29/84/20/286298420.db2.gz MHZIJYNTSGVKEL-UHFFFAOYSA-N 1 0 344.499 3.397 20 70 EGIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000160275967 298911774 /nfs/dbraw/zinc/91/17/74/298911774.db2.gz LDCHJEPCTJYSGY-UKRRQHHQSA-N 1 0 342.405 3.294 20 70 EGIDRO COCCN(C)CC[NH2+][C@H](C)c1sc(Cc2ccccc2)nc1C ZINC000159383101 225206526 /nfs/dbraw/zinc/20/65/26/225206526.db2.gz AKTNCYFIXZIHFY-OAHLLOKOSA-N 1 0 347.528 3.271 20 70 EGIDRO O=C(Nc1ccc(Cl)cc1OCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000159977232 225312678 /nfs/dbraw/zinc/31/26/78/225312678.db2.gz YYXVNPOTWOUEBQ-VIFPVBQESA-N 1 0 336.741 3.219 20 70 EGIDRO C[C@@H](C(=O)NCc1csc(-c2ccco2)n1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000160521971 264879176 /nfs/dbraw/zinc/87/91/76/264879176.db2.gz JHENZRNNWXBTJL-AVGNSLFASA-N 1 0 333.457 3.281 20 70 EGIDRO CCC[NH+]1CCC(CNC(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC000161175091 264889903 /nfs/dbraw/zinc/88/99/03/264889903.db2.gz YEHDBSLZBLONEY-UHFFFAOYSA-N 1 0 325.456 3.395 20 70 EGIDRO CCN(CCC[NH+]1CCCCC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000160889819 279181838 /nfs/dbraw/zinc/18/18/38/279181838.db2.gz QRRBFOWEKWRUPZ-UHFFFAOYSA-N 1 0 331.504 3.086 20 70 EGIDRO C[C@H](OC1CCCCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000159712525 307878152 /nfs/dbraw/zinc/87/81/52/307878152.db2.gz WEZVCQWNEPHYHW-INIZCTEOSA-N 1 0 332.488 3.492 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)n1 ZINC000159731937 307878892 /nfs/dbraw/zinc/87/88/92/307878892.db2.gz UKOSFHZTLTYSKD-HNNXBMFYSA-N 1 0 337.512 3.417 20 70 EGIDRO CN(C)[C@@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000160394922 307889164 /nfs/dbraw/zinc/88/91/64/307889164.db2.gz WUAPXCSCCLQQHL-INIZCTEOSA-N 1 0 335.458 3.113 20 70 EGIDRO C[C@@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000160592446 307892299 /nfs/dbraw/zinc/89/22/99/307892299.db2.gz WFGRYWSSZNJBDE-LUKYLMHMSA-N 1 0 340.508 3.305 20 70 EGIDRO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000161368758 307901882 /nfs/dbraw/zinc/90/18/82/307901882.db2.gz NOOUKAFRZUCEFL-UZLBHIALSA-N 1 0 332.488 3.301 20 70 EGIDRO CN(C(=O)c1ccc2cc(Br)ccc2c1)[C@H]1CC[NH2+]C1 ZINC000159647207 455392886 /nfs/dbraw/zinc/39/28/86/455392886.db2.gz SPZWJJOVKBRTGL-HNNXBMFYSA-N 1 0 333.229 3.036 20 70 EGIDRO Cc1c(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+](C)C)cnn1CC(C)C ZINC000159785721 455403953 /nfs/dbraw/zinc/40/39/53/455403953.db2.gz HHMGXOYGEMOHKF-IBGZPJMESA-N 1 0 342.487 3.189 20 70 EGIDRO CCCC(=O)Nc1nc2ccc(NC(=O)[C@@H](CC)[NH+](C)C)cc2s1 ZINC000159953460 455418694 /nfs/dbraw/zinc/41/86/94/455418694.db2.gz BZBLQOQWOTVVJH-CYBMUJFWSA-N 1 0 348.472 3.314 20 70 EGIDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000160039735 455424412 /nfs/dbraw/zinc/42/44/12/455424412.db2.gz HGOLWVASTXUUPB-APWZRJJASA-N 1 0 338.499 3.328 20 70 EGIDRO CCCn1c(C)nnc1CN1CC[C@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000160102013 455428424 /nfs/dbraw/zinc/42/84/24/455428424.db2.gz RNAQRYJMNWAEGS-KRWDZBQOSA-N 1 0 341.503 3.093 20 70 EGIDRO C[C@@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160378068 455452856 /nfs/dbraw/zinc/45/28/56/455452856.db2.gz HGZHGEJIDQPDHE-YLJYHZDGSA-N 1 0 337.467 3.491 20 70 EGIDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Br)c1cnn(C)c1 ZINC000160380258 455453190 /nfs/dbraw/zinc/45/31/90/455453190.db2.gz OEMQCDFFJMFAON-NWDGAFQWSA-N 1 0 338.249 3.301 20 70 EGIDRO CCC[C@H]1CN(C(=O)Nc2cccc3[nH]ccc32)CC[N@@H+]1CCOC ZINC000160822672 455502583 /nfs/dbraw/zinc/50/25/83/455502583.db2.gz OUPLBLMVIIKCDE-HNNXBMFYSA-N 1 0 344.459 3.133 20 70 EGIDRO C[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cnn(C)c1 ZINC000159571434 455385975 /nfs/dbraw/zinc/38/59/75/455385975.db2.gz UTICZRAZHQHRIP-OXJNMPFZSA-N 1 0 348.450 3.321 20 70 EGIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ncoc1-c1ccccc1 ZINC000159663750 455393308 /nfs/dbraw/zinc/39/33/08/455393308.db2.gz GOHDKNRLYZRQQB-UHFFFAOYSA-N 1 0 327.428 3.384 20 70 EGIDRO O=C(c1ccc(OC2CCCCC2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159697872 455396489 /nfs/dbraw/zinc/39/64/89/455396489.db2.gz GTBROZXUMYEKCQ-CALCHBBNSA-N 1 0 328.456 3.365 20 70 EGIDRO CCOCc1ccccc1CNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159723683 455398213 /nfs/dbraw/zinc/39/82/13/455398213.db2.gz UOLAQSBXMYHOMH-LPHOPBHVSA-N 1 0 330.472 3.104 20 70 EGIDRO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000159722407 455398510 /nfs/dbraw/zinc/39/85/10/455398510.db2.gz LNEZBDQNSSJLCO-KYJSFNMBSA-N 1 0 334.891 3.461 20 70 EGIDRO C[NH+]1CCC(CNC(=O)CCCOc2ccc3c(c2)CCCC3)CC1 ZINC000159913843 455414650 /nfs/dbraw/zinc/41/46/50/455414650.db2.gz LWPWEYQXOSXERP-UHFFFAOYSA-N 1 0 344.499 3.182 20 70 EGIDRO Cc1ccsc1[C@@H]1C[C@H]1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000159936009 455416414 /nfs/dbraw/zinc/41/64/14/455416414.db2.gz ZERVOQRWDSHTAC-KZNAEPCWSA-N 1 0 342.508 3.449 20 70 EGIDRO COCC[N@H+](CCCOc1ccc(F)cc1)Cc1ccc(C)cn1 ZINC000160084792 455427327 /nfs/dbraw/zinc/42/73/27/455427327.db2.gz XEFFPIODKBBSSV-UHFFFAOYSA-N 1 0 332.419 3.447 20 70 EGIDRO CO[C@]1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCOC1 ZINC000160088586 455427537 /nfs/dbraw/zinc/42/75/37/455427537.db2.gz IKTZILLYMQDXPK-BCLQGDPASA-N 1 0 340.261 3.090 20 70 EGIDRO CCN(C(=O)N[C@@H](C)CC1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160186456 455436486 /nfs/dbraw/zinc/43/64/86/455436486.db2.gz HWOGAAIXYNAFRG-QFBILLFUSA-N 1 0 329.488 3.481 20 70 EGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(F)cc1Br ZINC000160224010 455439988 /nfs/dbraw/zinc/43/99/88/455439988.db2.gz HYUIIQUQMJKKMJ-MWLCHTKSSA-N 1 0 336.270 3.353 20 70 EGIDRO CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1ccc(COC)cc1 ZINC000160232805 455440986 /nfs/dbraw/zinc/44/09/86/455440986.db2.gz ZXOCFYRHTQPCNC-UHFFFAOYSA-N 1 0 344.430 3.110 20 70 EGIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000160480370 455465009 /nfs/dbraw/zinc/46/50/09/455465009.db2.gz JIBZDMXKCIEXNQ-RBUKOAKNSA-N 1 0 329.488 3.135 20 70 EGIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccc(OC(F)F)cc1 ZINC000160523114 455469900 /nfs/dbraw/zinc/46/99/00/455469900.db2.gz QKFNNKSIQWBWRE-ZFWWWQNUSA-N 1 0 336.386 3.244 20 70 EGIDRO Cc1ccc(C(=O)CC[NH+]2CCC(CN3CCCCC3=O)CC2)cc1 ZINC000160571728 455475546 /nfs/dbraw/zinc/47/55/46/455475546.db2.gz IYOJECCVYGRTPN-UHFFFAOYSA-N 1 0 342.483 3.292 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1 ZINC000160650115 455484247 /nfs/dbraw/zinc/48/42/47/455484247.db2.gz JANQVICZXOUXIQ-MRXNPFEDSA-N 1 0 344.842 3.353 20 70 EGIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](CC)[C@@H](C)C(C)C)nc(N)c21 ZINC000160710699 455490961 /nfs/dbraw/zinc/49/09/61/455490961.db2.gz AUSAWZWDPSSMGU-NSHDSACASA-N 1 0 348.447 3.157 20 70 EGIDRO CC[N@@H+](Cc1ccc(OC)c(O)c1)C[C@H]1COc2ccccc2O1 ZINC000160952378 455517650 /nfs/dbraw/zinc/51/76/50/455517650.db2.gz DNSWJCBAOUEFDZ-HNNXBMFYSA-N 1 0 329.396 3.063 20 70 EGIDRO CN(C)C(=O)COc1ccccc1C[NH2+][C@@H]1CCCc2sccc21 ZINC000160973825 455519236 /nfs/dbraw/zinc/51/92/36/455519236.db2.gz DHPGQCOJCABTOT-MRXNPFEDSA-N 1 0 344.480 3.382 20 70 EGIDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000160977133 455520679 /nfs/dbraw/zinc/52/06/79/455520679.db2.gz CQNVFCMCQIJPBU-RHSMWYFYSA-N 1 0 344.480 3.439 20 70 EGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(CC)c2)c1 ZINC000161048294 455528144 /nfs/dbraw/zinc/52/81/44/455528144.db2.gz OEIZZPRRRGMCAN-LSDHHAIUSA-N 1 0 328.460 3.282 20 70 EGIDRO CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 ZINC000161080790 455530925 /nfs/dbraw/zinc/53/09/25/455530925.db2.gz ZBOMPAMFSPKADT-IFXJQAMLSA-N 1 0 326.440 3.352 20 70 EGIDRO CCC[N@H+](Cc1ccc(OC)c2ccccc12)[C@@H]1CCS(=O)(=O)C1 ZINC000161117407 455536374 /nfs/dbraw/zinc/53/63/74/455536374.db2.gz SVBXHMKQQJQPPH-MRXNPFEDSA-N 1 0 347.480 3.248 20 70 EGIDRO C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)Oc1ccc(F)cc1 ZINC000161123284 455537041 /nfs/dbraw/zinc/53/70/41/455537041.db2.gz UCIOHYNLWWEMSY-GLJUWKHASA-N 1 0 330.403 3.045 20 70 EGIDRO CC[N@H+](Cc1cnn(C)c1)Cc1ccc(OCc2ccccn2)cc1 ZINC000161136345 455538499 /nfs/dbraw/zinc/53/84/99/455538499.db2.gz RIMPIVJJWPKVNX-UHFFFAOYSA-N 1 0 336.439 3.416 20 70 EGIDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000161199299 455547325 /nfs/dbraw/zinc/54/73/25/455547325.db2.gz MUYSNDXTCKMFAW-GJZGRUSLSA-N 1 0 336.426 3.447 20 70 EGIDRO CC(=O)NC1CCC([NH2+][C@@H](c2ccc3c(c2)OCCO3)C(C)C)CC1 ZINC000161231394 455550416 /nfs/dbraw/zinc/55/04/16/455550416.db2.gz KJPZKTRYTSVKHR-LBXVMSDZSA-N 1 0 346.471 3.192 20 70 EGIDRO C[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CC[C@@H]1c1ccccc1 ZINC000161232634 455550746 /nfs/dbraw/zinc/55/07/46/455550746.db2.gz RXQMWLDOXJVTJZ-UZLBHIALSA-N 1 0 334.463 3.135 20 70 EGIDRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161240225 455551106 /nfs/dbraw/zinc/55/11/06/455551106.db2.gz QYOJMXAYKCSJAM-KGLIPLIRSA-N 1 0 333.432 3.257 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)C2CC2)CC1 ZINC000161277875 455554852 /nfs/dbraw/zinc/55/48/52/455554852.db2.gz ILOVJANUNDHDEE-GJZGRUSLSA-N 1 0 330.476 3.047 20 70 EGIDRO O=C(C[C@H]1CCC[NH2+]1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000161322207 455558846 /nfs/dbraw/zinc/55/88/46/455558846.db2.gz OEKNUBVYVQWWKC-CQSZACIVSA-N 1 0 326.362 3.343 20 70 EGIDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2cc(F)c(F)c(F)c2)c1 ZINC000161323524 455559116 /nfs/dbraw/zinc/55/91/16/455559116.db2.gz XFBQDPRKLQPJSA-QLJPJBMISA-N 1 0 325.330 3.497 20 70 EGIDRO CC[N@H+](CC(=O)Nc1ccc(CNC(=O)OC(C)(C)C)cc1)C1CC1 ZINC000161332830 455560111 /nfs/dbraw/zinc/56/01/11/455560111.db2.gz OPGHVOAWKQETGG-UHFFFAOYSA-N 1 0 347.459 3.134 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)Cc1ccc(Cl)cc1Cl ZINC000161359240 455562772 /nfs/dbraw/zinc/56/27/72/455562772.db2.gz ZDDQFDJQWIDOQC-SMDDNHRTSA-N 1 0 329.271 3.382 20 70 EGIDRO CCCn1c(C)nnc1CN1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000161363508 455562814 /nfs/dbraw/zinc/56/28/14/455562814.db2.gz LCLNWECZOLHGRD-QGZVFWFLSA-N 1 0 347.551 3.473 20 70 EGIDRO O=C(Oc1ccccc1)N1CCCN(CCC[NH+]2CCCCC2)CC1 ZINC000161358416 455563345 /nfs/dbraw/zinc/56/33/45/455563345.db2.gz AXCZNUTVGGJLEC-UHFFFAOYSA-N 1 0 345.487 3.069 20 70 EGIDRO C[C@@H]1CCC[C@@](CNC(=O)c2c(F)cc(F)cc2F)([NH+](C)C)C1 ZINC000161415016 455568210 /nfs/dbraw/zinc/56/82/10/455568210.db2.gz UENUZYACYMDDLX-PIGZYNQJSA-N 1 0 328.378 3.344 20 70 EGIDRO CN1CCC([NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000161435150 455570277 /nfs/dbraw/zinc/57/02/77/455570277.db2.gz CFTGXIICSKBEEK-HNNXBMFYSA-N 1 0 327.241 3.259 20 70 EGIDRO C[C@@H]1CCC[C@@H]([NH2+]CC(=O)NCc2ccc(OC(F)F)cc2)[C@@H]1C ZINC000217143770 456031709 /nfs/dbraw/zinc/03/17/09/456031709.db2.gz WKPZPFRJAIWALN-XJKCOSOUSA-N 1 0 340.414 3.319 20 70 EGIDRO O=C(Nc1ccccc1OCc1cccc(Cl)c1)[C@@H]1CC[NH2+]C1 ZINC000159624354 534402624 /nfs/dbraw/zinc/40/26/24/534402624.db2.gz ZJHWETGXMGEFLR-CQSZACIVSA-N 1 0 330.815 3.467 20 70 EGIDRO Fc1ccc(C2(C[NH2+]C3CCN(CC(F)(F)F)CC3)CC2)cc1 ZINC000161351626 534462490 /nfs/dbraw/zinc/46/24/90/534462490.db2.gz JQACGAZDAPFWSY-UHFFFAOYSA-N 1 0 330.369 3.474 20 70 EGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160505335 528033538 /nfs/dbraw/zinc/03/35/38/528033538.db2.gz WVRWNIGYMWYASP-QGZVFWFLSA-N 1 0 346.519 3.055 20 70 EGIDRO CCCC[C@@H](COC)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161006325 528831348 /nfs/dbraw/zinc/83/13/48/528831348.db2.gz FHZIVXGHTSEPPA-IBGZPJMESA-N 1 0 332.488 3.394 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2c(F)cccc2Cl)CC1 ZINC000159943562 529030588 /nfs/dbraw/zinc/03/05/88/529030588.db2.gz HQQKDCWCUFZLJH-GFCCVEGCSA-N 1 0 327.831 3.277 20 70 EGIDRO Cc1nnc(-c2ccc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2)o1 ZINC000160540234 538137091 /nfs/dbraw/zinc/13/70/91/538137091.db2.gz MVFSWCBEVDTHHR-UHFFFAOYSA-N 1 0 342.443 3.084 20 70 EGIDRO CCN(Cc1ccoc1)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160251359 546945314 /nfs/dbraw/zinc/94/53/14/546945314.db2.gz WSLJBOLOKMZRRS-VQIMIIECSA-N 1 0 341.455 3.474 20 70 EGIDRO CCc1ccc(NC(=O)CN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC000216731751 574808790 /nfs/dbraw/zinc/80/87/90/574808790.db2.gz WTMWVDHDAXTWCV-HXUWFJFHSA-N 1 0 337.467 3.176 20 70 EGIDRO CC[C@@H](CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000160141373 529450825 /nfs/dbraw/zinc/45/08/25/529450825.db2.gz AAAVVGVZVPVZNA-HOTGVXAUSA-N 1 0 330.472 3.179 20 70 EGIDRO CC[C@@H](COC)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159586008 529520659 /nfs/dbraw/zinc/52/06/59/529520659.db2.gz OTGBBCRYDSFWPH-PKOBYXMFSA-N 1 0 326.440 3.251 20 70 EGIDRO CN(C)c1cccc(C[N@H+](C)Cc2cc(=O)oc3cc(O)ccc23)c1 ZINC000159857764 529789223 /nfs/dbraw/zinc/78/92/23/529789223.db2.gz UPEDNYVVZDDPIC-UHFFFAOYSA-N 1 0 338.407 3.197 20 70 EGIDRO C[C@H]1CC(=O)CC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000160727914 299703057 /nfs/dbraw/zinc/70/30/57/299703057.db2.gz RHHIPNNTJJHCEB-FUHWJXTLSA-N 1 0 334.504 3.297 20 70 EGIDRO C[C@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000159779694 225276490 /nfs/dbraw/zinc/27/64/90/225276490.db2.gz NIWRFURQMYCNPZ-XUJVJEKNSA-N 1 0 328.250 3.294 20 70 EGIDRO Cc1cccc([C@H](NC(=O)C[NH+]2CCC(C)CC2)c2ccccn2)c1 ZINC000159963788 225309893 /nfs/dbraw/zinc/30/98/93/225309893.db2.gz DTWRHSMRXYCESO-NRFANRHFSA-N 1 0 337.467 3.328 20 70 EGIDRO O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CC[NH+](C2CCCC2)CC1 ZINC000160007287 225318959 /nfs/dbraw/zinc/31/89/59/225318959.db2.gz UEIUEYDJNXPTEJ-HOTGVXAUSA-N 1 0 334.410 3.155 20 70 EGIDRO Cc1ccc(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160180046 225354491 /nfs/dbraw/zinc/35/44/91/225354491.db2.gz MBQCACAWSYYKFH-IBGZPJMESA-N 1 0 329.488 3.197 20 70 EGIDRO C[C@H]([NH2+]CC1(c2ccc(F)cc2)CC1)c1ccc(-n2cnnn2)cc1 ZINC000161379963 225616382 /nfs/dbraw/zinc/61/63/82/225616382.db2.gz FYCSRFXCUPCBSK-AWEZNQCLSA-N 1 0 337.402 3.184 20 70 EGIDRO Cc1cc(C(=O)NCCC2CC[NH+](C)CC2)ccc1Br ZINC000160256044 264871751 /nfs/dbraw/zinc/87/17/51/264871751.db2.gz JAYXINSCKHGLLW-UHFFFAOYSA-N 1 0 339.277 3.219 20 70 EGIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000161208394 279618234 /nfs/dbraw/zinc/61/82/34/279618234.db2.gz RCHZRQKUTPLULA-HZPDHXFCSA-N 1 0 330.476 3.049 20 70 EGIDRO COc1ccc(C)cc1CCNC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000159362426 307872430 /nfs/dbraw/zinc/87/24/30/307872430.db2.gz OFBAYMVIRRDJJJ-UHFFFAOYSA-N 1 0 347.503 3.062 20 70 EGIDRO C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)c1ccc(F)cc1N(C)C ZINC000161208706 307900198 /nfs/dbraw/zinc/90/01/98/307900198.db2.gz QBAOJEZXLQWABY-CABCVRRESA-N 1 0 343.446 3.247 20 70 EGIDRO COc1cccc(CCC[NH+]2CCC([C@H](O)C(F)(F)F)CC2)c1 ZINC000161441595 307902792 /nfs/dbraw/zinc/90/27/92/307902792.db2.gz ZNJCNCOPNUOKHO-INIZCTEOSA-N 1 0 331.378 3.263 20 70 EGIDRO C[C@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)CC[C@H]1[NH3+] ZINC000159654520 455393654 /nfs/dbraw/zinc/39/36/54/455393654.db2.gz QGOCNDOSMDHMNK-MEDUHNTESA-N 1 0 347.256 3.412 20 70 EGIDRO CC(C)Cn1ncc(C(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1C1CC1 ZINC000159779889 455404026 /nfs/dbraw/zinc/40/40/26/455404026.db2.gz RDWYFRPOOVYZIA-MRXNPFEDSA-N 1 0 346.519 3.124 20 70 EGIDRO C[C@H]1C[C@H](NC(=O)N(C)C(C2CC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160092442 455428720 /nfs/dbraw/zinc/42/87/20/455428720.db2.gz VVGMWVNZSDKSAH-KXBFYZLASA-N 1 0 341.499 3.479 20 70 EGIDRO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000160165657 455433787 /nfs/dbraw/zinc/43/37/87/455433787.db2.gz DXBVUYSFQYVISE-CQSZACIVSA-N 1 0 333.476 3.262 20 70 EGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc3c(c2)OCO3)c1 ZINC000160566724 455475088 /nfs/dbraw/zinc/47/50/88/455475088.db2.gz ZCWHXQKTARLDOF-CQSZACIVSA-N 1 0 340.423 3.406 20 70 EGIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCC[C@@H]1c1ccncc1 ZINC000160759814 455495899 /nfs/dbraw/zinc/49/58/99/455495899.db2.gz FQRKURFEWCKJDY-RBUKOAKNSA-N 1 0 342.487 3.193 20 70 EGIDRO CCCC1(C[NH2+][C@@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000160773020 455496863 /nfs/dbraw/zinc/49/68/63/455496863.db2.gz NXFGXFYMPQHYRG-CYBMUJFWSA-N 1 0 325.250 3.145 20 70 EGIDRO COCCN(C)CC[NH2+][C@H](C)c1cc(Cl)ccc1OC(F)F ZINC000159401566 455374428 /nfs/dbraw/zinc/37/44/28/455374428.db2.gz XDKSXMWSKQCCBG-LLVKDONJSA-N 1 0 336.810 3.170 20 70 EGIDRO O=C(Nc1ccccn1)[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000159443812 455377147 /nfs/dbraw/zinc/37/71/47/455377147.db2.gz NBSVLIWETZLRSD-QGZVFWFLSA-N 1 0 349.356 3.475 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000159466018 455378463 /nfs/dbraw/zinc/37/84/63/455378463.db2.gz AZDPIXMXIVYYRY-QGZVFWFLSA-N 1 0 349.523 3.419 20 70 EGIDRO CC(C)C[NH+]1CCN(CCc2cccc(OC(F)(F)F)c2)CC1 ZINC000159730303 455399345 /nfs/dbraw/zinc/39/93/45/455399345.db2.gz HWQLBVOZTNDUFM-UHFFFAOYSA-N 1 0 330.394 3.401 20 70 EGIDRO Cc1cnn(-c2ccc(NC(=O)C[C@H](C)[C@H]3CCC[NH2+]C3)cc2F)c1 ZINC000159777559 455402806 /nfs/dbraw/zinc/40/28/06/455402806.db2.gz VZDMXCOVXLJWEF-GJZGRUSLSA-N 1 0 344.434 3.284 20 70 EGIDRO CC[C@@H](C(=O)N(C)CCCc1cc(-c2ccccc2)no1)[NH+](C)C ZINC000159897348 455413340 /nfs/dbraw/zinc/41/33/40/455413340.db2.gz SGGODDLDCFZGIG-SFHVURJKSA-N 1 0 329.444 3.073 20 70 EGIDRO C[C@@H]([NH2+]CCN1CCN(c2cccc(Cl)c2)CC1)c1cccnc1 ZINC000160293167 455445277 /nfs/dbraw/zinc/44/52/77/455445277.db2.gz JMAHSZDPXIGPOO-MRXNPFEDSA-N 1 0 344.890 3.208 20 70 EGIDRO CC(=O)Nc1ccccc1C[NH2+]CCCc1nc2ccccc2n1C ZINC000160471557 455463392 /nfs/dbraw/zinc/46/33/92/455463392.db2.gz AGVIRCFMGMTBAY-UHFFFAOYSA-N 1 0 336.439 3.254 20 70 EGIDRO CC(C)COc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160578189 455476443 /nfs/dbraw/zinc/47/64/43/455476443.db2.gz YOOKFTCNCWWBKL-LBPRGKRZSA-N 1 0 332.366 3.051 20 70 EGIDRO C[N@H+](CCc1ccccn1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160590939 455478087 /nfs/dbraw/zinc/47/80/87/455478087.db2.gz UDKTWYJRVAOOEN-JWTNVVGKSA-N 1 0 345.487 3.486 20 70 EGIDRO Cc1cncc(/C=C/C(=O)NC2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000160697408 455488943 /nfs/dbraw/zinc/48/89/43/455488943.db2.gz UUDHEVMTPDQIHX-BQYQJAHWSA-N 1 0 335.451 3.184 20 70 EGIDRO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H](C)c1cccc(OC)c1 ZINC000160692103 455489312 /nfs/dbraw/zinc/48/93/12/455489312.db2.gz YIJNDTGTDRRIAI-MAUKXSAKSA-N 1 0 345.487 3.272 20 70 EGIDRO [NH3+][C@H]1CC[C@H](C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000160724991 455492306 /nfs/dbraw/zinc/49/23/06/455492306.db2.gz DGPSETODPRNRSW-BXWFABGCSA-N 1 0 326.415 3.353 20 70 EGIDRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000160811618 455500680 /nfs/dbraw/zinc/50/06/80/455500680.db2.gz USJVTFFOVOHYFA-MJGOQNOKSA-N 1 0 334.529 3.162 20 70 EGIDRO CN(Cc1cnc2ccccn12)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160890681 455509894 /nfs/dbraw/zinc/50/98/94/455509894.db2.gz PSCKIORIRGQTFU-IBGZPJMESA-N 1 0 334.467 3.288 20 70 EGIDRO Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)c1cnc2c(c1)ncn2C ZINC000160894171 455511078 /nfs/dbraw/zinc/51/10/78/455511078.db2.gz KNYCYGXDFAWKJB-UHFFFAOYSA-N 1 0 349.438 3.125 20 70 EGIDRO Cc1ccccc1COc1c(C)cc(CN(C)C(=O)[C@H](C)[NH3+])cc1C ZINC000160945106 455516780 /nfs/dbraw/zinc/51/67/80/455516780.db2.gz AOMDWSJHSQQIIR-KRWDZBQOSA-N 1 0 340.467 3.496 20 70 EGIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3cccs3)CC2)CC1 ZINC000160970866 455519222 /nfs/dbraw/zinc/51/92/22/455519222.db2.gz ZXTUAXWMSWGVNT-UHFFFAOYSA-N 1 0 342.530 3.070 20 70 EGIDRO CCn1cc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cn1 ZINC000161004714 455523529 /nfs/dbraw/zinc/52/35/29/455523529.db2.gz YUZNQNWUGYUMJV-MRXNPFEDSA-N 1 0 340.471 3.167 20 70 EGIDRO O[C@H](c1ccc(F)cc1)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161023455 455525260 /nfs/dbraw/zinc/52/52/60/455525260.db2.gz ZJOPMGZXQMHAOL-HXUWFJFHSA-N 1 0 334.479 3.447 20 70 EGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)c2cnn(C)c2)c1 ZINC000161049683 455527757 /nfs/dbraw/zinc/52/77/57/455527757.db2.gz XJSMKSAXNNRUGI-KSSFIOAISA-N 1 0 328.460 3.189 20 70 EGIDRO C[C@@H](C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C)c1c(F)cccc1F ZINC000161075054 455529850 /nfs/dbraw/zinc/52/98/50/455529850.db2.gz OGWFYOOTCAZTTH-GDBMZVCRSA-N 1 0 346.421 3.357 20 70 EGIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)c2ccc(C)cc2Br)C1 ZINC000161166267 455542987 /nfs/dbraw/zinc/54/29/87/455542987.db2.gz CXQJBFDXHZOHCU-CYBMUJFWSA-N 1 0 339.277 3.314 20 70 EGIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)C2(C)CC2)CC1 ZINC000161171958 455544559 /nfs/dbraw/zinc/54/45/59/455544559.db2.gz OORRFKLKVCKDMU-CVEARBPZSA-N 1 0 344.503 3.437 20 70 EGIDRO CCC[N@H+](CCO)Cc1cccc(NC(=O)c2ccc(OC)cc2)c1 ZINC000161207106 455548434 /nfs/dbraw/zinc/54/84/34/455548434.db2.gz DDTGIROCIUZLNJ-UHFFFAOYSA-N 1 0 342.439 3.152 20 70 EGIDRO Cc1cc(C)cc(C[C@H](C)NC(=O)c2cccn2C2CC[NH2+]CC2)c1 ZINC000161348966 455561775 /nfs/dbraw/zinc/56/17/75/455561775.db2.gz KFUQVBMYYQGOMA-KRWDZBQOSA-N 1 0 339.483 3.390 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCCOc2ccc(Cl)cc2C)CC1 ZINC000161355584 455561839 /nfs/dbraw/zinc/56/18/39/455561839.db2.gz YEEOBBJIDSEYTB-UHFFFAOYSA-N 1 0 338.879 3.454 20 70 EGIDRO COc1ccc(N(C)C(=O)c2cccn2C2CC[NH2+]CC2)cc1Cl ZINC000161441443 455570317 /nfs/dbraw/zinc/57/03/17/455570317.db2.gz ULPHULUITSAWRM-UHFFFAOYSA-N 1 0 347.846 3.351 20 70 EGIDRO COc1ccc(CNC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000161493343 455575232 /nfs/dbraw/zinc/57/52/32/455575232.db2.gz RMQNYWYDRCFISH-YVEFUNNKSA-N 1 0 332.831 3.301 20 70 EGIDRO C[C@H](CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Oc1ccc(Cl)cc1 ZINC000161136849 534074371 /nfs/dbraw/zinc/07/43/71/534074371.db2.gz PSGFJODEGQGYRJ-WPXLMEDKSA-N 1 0 336.863 3.144 20 70 EGIDRO CCCC1(CNC(=O)NC2CC[NH+](Cc3ccccn3)CC2)CCC1 ZINC000160020979 528050043 /nfs/dbraw/zinc/05/00/43/528050043.db2.gz KSHLVNMMEFWQCD-UHFFFAOYSA-N 1 0 344.503 3.316 20 70 EGIDRO CCC(CC)[C@@H](O)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159379135 528826103 /nfs/dbraw/zinc/82/61/03/528826103.db2.gz IGKYUNRKWWIEOM-IBGZPJMESA-N 1 0 346.515 3.202 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000159632863 529030858 /nfs/dbraw/zinc/03/08/58/529030858.db2.gz QQWVJNDIJVPVOZ-CYBMUJFWSA-N 1 0 341.402 3.086 20 70 EGIDRO COc1cc(C2(C(=O)N3CCC([NH2+]CC4CC4)CC3)CC2)ccc1C ZINC000159803050 536712113 /nfs/dbraw/zinc/71/21/13/536712113.db2.gz MFCHAWAIPWBDHZ-UHFFFAOYSA-N 1 0 342.483 3.026 20 70 EGIDRO c1ccc(OCCC[NH2+][C@@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000216771373 574808782 /nfs/dbraw/zinc/80/87/82/574808782.db2.gz CJYPLOWXNCONIL-NRFANRHFSA-N 1 0 340.467 3.119 20 70 EGIDRO Cc1ccc(NC(=O)CN2CCN(C)C[C@@H]2c2ccccc2)cc1C ZINC000216731885 574808815 /nfs/dbraw/zinc/80/88/15/574808815.db2.gz IDUOGLPBVCEVSQ-HXUWFJFHSA-N 1 0 337.467 3.231 20 70 EGIDRO CCc1ncsc1C(=O)NCc1cccc(C[N@H+](C)C(C)C)c1 ZINC000159659543 529762939 /nfs/dbraw/zinc/76/29/39/529762939.db2.gz NGTCEAXPAZKJCJ-UHFFFAOYSA-N 1 0 331.485 3.476 20 70 EGIDRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)s2)cc1 ZINC000160130944 533191487 /nfs/dbraw/zinc/19/14/87/533191487.db2.gz AZGYBRZHOZXERE-NHYWBVRUSA-N 1 0 347.484 3.288 20 70 EGIDRO COCCc1ccc(Oc2ccc(NC(=O)C(C)(C)[NH3+])cc2)cc1 ZINC000159439862 533324161 /nfs/dbraw/zinc/32/41/61/533324161.db2.gz OFZZDVLJUCBOKB-UHFFFAOYSA-N 1 0 328.412 3.344 20 70 EGIDRO [NH3+]C[C@H](NC(=O)c1ccc2cc(Br)ccc2c1)C1CC1 ZINC000159651772 140943616 /nfs/dbraw/zinc/94/36/16/140943616.db2.gz GIBKNBHIPMQFFL-HNNXBMFYSA-N 1 0 333.229 3.069 20 70 EGIDRO COc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@H]3C)CC2)c(OC)c1 ZINC000159981254 140950865 /nfs/dbraw/zinc/95/08/65/140950865.db2.gz DBKTZCRBKZGORA-KDOFPFPSSA-N 1 0 346.471 3.087 20 70 EGIDRO C[C@H](C[NH2+][C@@H](C)c1cnn(C)c1)Oc1ccccc1Br ZINC000160380129 140959323 /nfs/dbraw/zinc/95/93/23/140959323.db2.gz OEMQCDFFJMFAON-NEPJUHHUSA-N 1 0 338.249 3.301 20 70 EGIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000160976768 152769737 /nfs/dbraw/zinc/76/97/37/152769737.db2.gz CQNVFCMCQIJPBU-YOEHRIQHSA-N 1 0 344.480 3.439 20 70 EGIDRO O[C@@H](Cc1ccccc1)C[NH+]1CCN(Cc2cccc(Cl)c2)CC1 ZINC000218751431 153421749 /nfs/dbraw/zinc/42/17/49/153421749.db2.gz ZMCSLHWREYOSBU-FQEVSTJZSA-N 1 0 344.886 3.061 20 70 EGIDRO Cc1cccc2c(CCC(=O)NC3CC[NH+](C4CC4)CC3)c[nH]c21 ZINC000159370008 225204065 /nfs/dbraw/zinc/20/40/65/225204065.db2.gz HHBDZITYQOGFKU-UHFFFAOYSA-N 1 0 325.456 3.152 20 70 EGIDRO O=C(Cc1ccc(C(F)(F)F)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159813210 225283106 /nfs/dbraw/zinc/28/31/06/225283106.db2.gz QTBUMISNAMZDIC-UHFFFAOYSA-N 1 0 340.389 3.239 20 70 EGIDRO Cc1cccc([C@@H](NC(=O)C[NH+]2CCC(C)CC2)c2ccccn2)c1 ZINC000159963937 225310701 /nfs/dbraw/zinc/31/07/01/225310701.db2.gz DTWRHSMRXYCESO-OAQYLSRUSA-N 1 0 337.467 3.328 20 70 EGIDRO Cc1cccc(COc2cccc(CC(=O)N3CCC[C@@H]3C[NH3+])c2)c1 ZINC000160214298 225362289 /nfs/dbraw/zinc/36/22/89/225362289.db2.gz VXXJWIRCZNNHSB-LJQANCHMSA-N 1 0 338.451 3.066 20 70 EGIDRO C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000160226835 225365817 /nfs/dbraw/zinc/36/58/17/225365817.db2.gz AAPFWDQYFRVYEP-JSGCOSHPSA-N 1 0 336.361 3.428 20 70 EGIDRO Cc1cc(C(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(Cl)n1 ZINC000160810583 225481066 /nfs/dbraw/zinc/48/10/66/225481066.db2.gz ZHKUGBOYXUDYRY-BBRMVZONSA-N 1 0 333.863 3.132 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccccc2OC2CCCC2)CC1 ZINC000159702412 264862283 /nfs/dbraw/zinc/86/22/83/264862283.db2.gz GKCPTEPQJYHNLW-UHFFFAOYSA-N 1 0 345.487 3.245 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000160540633 264877604 /nfs/dbraw/zinc/87/76/04/264877604.db2.gz LNBYOMRKPBGFAO-OLZOCXBDSA-N 1 0 326.387 3.025 20 70 EGIDRO CCC(CC)n1nccc1C(=O)N(CC[NH+](C)C)Cc1ccccc1 ZINC000160806655 275196127 /nfs/dbraw/zinc/19/61/27/275196127.db2.gz RWRWDBRELAEJJY-UHFFFAOYSA-N 1 0 342.487 3.448 20 70 EGIDRO CCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C[NH2+]C)cs2)cc1 ZINC000161164569 276371888 /nfs/dbraw/zinc/37/18/88/276371888.db2.gz IQNAIFBWMXQDMW-CQSZACIVSA-N 1 0 345.468 3.033 20 70 EGIDRO CC1(C)Cc2cc(C(=O)N3CC[C@@H]([NH3+])C3)sc2-c2ccccc21 ZINC000160213561 278395230 /nfs/dbraw/zinc/39/52/30/278395230.db2.gz MVKYGJYCIPZDJX-CYBMUJFWSA-N 1 0 326.465 3.422 20 70 EGIDRO Cc1ccccc1[C@@H](C)[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000159459017 307874320 /nfs/dbraw/zinc/87/43/20/307874320.db2.gz WFBCEXMTQSCZKK-OAHLLOKOSA-N 1 0 333.453 3.128 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCCCn2ccnc2C)cc1 ZINC000159654493 307877202 /nfs/dbraw/zinc/87/72/02/307877202.db2.gz ROUAVUKSBOBHQP-OAHLLOKOSA-N 1 0 349.500 3.116 20 70 EGIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCc2ccccc21 ZINC000160978688 307896765 /nfs/dbraw/zinc/89/67/65/307896765.db2.gz ZEIFCOBRYCMQPH-TZMCWYRMSA-N 1 0 334.261 3.354 20 70 EGIDRO CCC[C@H](NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccccc1 ZINC000159752141 455400500 /nfs/dbraw/zinc/40/05/00/455400500.db2.gz RIWYLKRVSGESNJ-WNHJNPCNSA-N 1 0 332.488 3.125 20 70 EGIDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000160039516 455423749 /nfs/dbraw/zinc/42/37/49/455423749.db2.gz HGOLWVASTXUUPB-LPHOPBHVSA-N 1 0 338.499 3.328 20 70 EGIDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000160039624 455423850 /nfs/dbraw/zinc/42/38/50/455423850.db2.gz HGOLWVASTXUUPB-VQIMIIECSA-N 1 0 338.499 3.328 20 70 EGIDRO CC(C)Cc1ccc(CCC(=O)NC[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000160136162 455431986 /nfs/dbraw/zinc/43/19/86/455431986.db2.gz DYHLWWCNYYHLJI-LJQANCHMSA-N 1 0 328.500 3.418 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1ccc(-n2nc(C)c(Cl)c2C)cc1 ZINC000160436166 455459088 /nfs/dbraw/zinc/45/90/88/455459088.db2.gz CTIKIMCIEGSHMP-UHFFFAOYSA-N 1 0 348.878 3.390 20 70 EGIDRO CC1(C)C[C@H]([NH2+]Cc2cc3c(cc2Br)OCO3)CCO1 ZINC000160567507 455474924 /nfs/dbraw/zinc/47/49/24/455474924.db2.gz JDFLEOGKLCHYNK-LLVKDONJSA-N 1 0 342.233 3.225 20 70 EGIDRO CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160568036 455475050 /nfs/dbraw/zinc/47/50/50/455475050.db2.gz IDMREFJVDKSBOL-LDQXTDLNSA-N 1 0 344.499 3.053 20 70 EGIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc3c(c2)C(=O)CCC3)CC1 ZINC000160814202 455502265 /nfs/dbraw/zinc/50/22/65/455502265.db2.gz HUKRJSKSXZXNBG-UHFFFAOYSA-N 1 0 343.471 3.448 20 70 EGIDRO C[NH+](C)[C@H](CNC(=O)NC1(c2cccc(F)c2)CC1)c1cccs1 ZINC000160820376 455502813 /nfs/dbraw/zinc/50/28/13/455502813.db2.gz CTFWPIFWPXQVRN-OAHLLOKOSA-N 1 0 347.459 3.478 20 70 EGIDRO CC1(C(=O)NC[C@H]2CCCS2)CC[NH+](Cc2ccccc2)CC1 ZINC000159439721 455377505 /nfs/dbraw/zinc/37/75/05/455377505.db2.gz UKQRTRGDECHBLJ-QGZVFWFLSA-N 1 0 332.513 3.301 20 70 EGIDRO COc1ccccc1[C@@H](NC(=O)CC[NH2+]C(C)C)c1ccccc1 ZINC000159465958 455378195 /nfs/dbraw/zinc/37/81/95/455378195.db2.gz MVARXWBANUEOCL-FQEVSTJZSA-N 1 0 326.440 3.289 20 70 EGIDRO O=C(NCC[NH2+]C1CC1)c1ccc2cc(Br)ccc2c1 ZINC000159645742 455392290 /nfs/dbraw/zinc/39/22/90/455392290.db2.gz JVFGHNXKWZLITC-UHFFFAOYSA-N 1 0 333.229 3.084 20 70 EGIDRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159809954 455406125 /nfs/dbraw/zinc/40/61/25/455406125.db2.gz NWAWGODNXANBGX-MJGOQNOKSA-N 1 0 340.854 3.370 20 70 EGIDRO CCCN(CC(F)F)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159899182 455413326 /nfs/dbraw/zinc/41/33/26/455413326.db2.gz NADTZGLRUOKWHV-GOEBONIOSA-N 1 0 339.430 3.336 20 70 EGIDRO C[C@]1(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCS1 ZINC000160131485 455430748 /nfs/dbraw/zinc/43/07/48/455430748.db2.gz PULXQPYFKKLEIP-LJQANCHMSA-N 1 0 347.528 3.367 20 70 EGIDRO COCCC1(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CCCC1 ZINC000160201425 455437674 /nfs/dbraw/zinc/43/76/74/455437674.db2.gz XEMBSSVXJPCVBW-SJORKVTESA-N 1 0 339.524 3.003 20 70 EGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)cc1Br ZINC000160223861 455439942 /nfs/dbraw/zinc/43/99/42/455439942.db2.gz HYUIIQUQMJKKMJ-GXSJLCMTSA-N 1 0 336.270 3.353 20 70 EGIDRO Cc1csc(N2CCC([NH2+]Cc3cn4c(cccc4C)n3)CC2)n1 ZINC000160299330 455446266 /nfs/dbraw/zinc/44/62/66/455446266.db2.gz FJZDUVBQCVXHPC-UHFFFAOYSA-N 1 0 341.484 3.166 20 70 EGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000160295901 455446773 /nfs/dbraw/zinc/44/67/73/455446773.db2.gz GEPCDUVNKDFXGK-FZMZJTMJSA-N 1 0 337.514 3.278 20 70 EGIDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)N1CCC2(CCC2)C1 ZINC000160308904 455447757 /nfs/dbraw/zinc/44/77/57/455447757.db2.gz SKGJOWUNLJGQHD-SFHVURJKSA-N 1 0 327.472 3.409 20 70 EGIDRO C[C@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000160413542 455456043 /nfs/dbraw/zinc/45/60/43/455456043.db2.gz HXBXJXQAGFPDML-CHWSQXEVSA-N 1 0 349.525 3.253 20 70 EGIDRO CSC[C@H](CCO)[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000160426077 455457874 /nfs/dbraw/zinc/45/78/74/455457874.db2.gz RVJJLRBPYDEXIT-SMDDNHRTSA-N 1 0 335.391 3.276 20 70 EGIDRO CC1CC[NH+](C[C@@H]2CCCN(Cc3cnc4ccccn34)C2)CC1 ZINC000160433815 455458029 /nfs/dbraw/zinc/45/80/29/455458029.db2.gz DOSZSLQVRFWSKA-SFHVURJKSA-N 1 0 326.488 3.278 20 70 EGIDRO CCSCC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160446432 455460481 /nfs/dbraw/zinc/46/04/81/455460481.db2.gz RDBSZTAVCARGPI-CQSZACIVSA-N 1 0 339.480 3.412 20 70 EGIDRO COc1ccccc1[C@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160453754 455461051 /nfs/dbraw/zinc/46/10/51/455461051.db2.gz RDSZRSVOYCFXSR-KRWDZBQOSA-N 1 0 340.467 3.378 20 70 EGIDRO Cc1cc(NC(=O)CC[C@H]([NH3+])c2ccccc2)ccc1C(=O)N(C)C ZINC000160515488 455468254 /nfs/dbraw/zinc/46/82/54/455468254.db2.gz BPJRNZCEDMNRNG-SFHVURJKSA-N 1 0 339.439 3.116 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000160528515 455469846 /nfs/dbraw/zinc/46/98/46/455469846.db2.gz MFIFLMPHYSVDER-VIFPVBQESA-N 1 0 341.889 3.267 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(-c3ccncc3)c1)CC2 ZINC000160575688 455476577 /nfs/dbraw/zinc/47/65/77/455476577.db2.gz KYDYEFKGYMWCCB-IFXJQAMLSA-N 1 0 333.439 3.314 20 70 EGIDRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000160592562 455478218 /nfs/dbraw/zinc/47/82/18/455478218.db2.gz WFGRYWSSZNJBDE-VQHPVUNQSA-N 1 0 340.508 3.305 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000160594946 455478463 /nfs/dbraw/zinc/47/84/63/455478463.db2.gz PFKAXOZKMDOOMF-OAHLLOKOSA-N 1 0 342.826 3.005 20 70 EGIDRO COCCC[C@H]([NH2+]CC(C)(C)O)c1ccc(Br)cc1 ZINC000160612236 455479878 /nfs/dbraw/zinc/47/98/78/455479878.db2.gz XYVLNAWXDKSGMN-AWEZNQCLSA-N 1 0 330.266 3.277 20 70 EGIDRO CC[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[NH+](C)C ZINC000160638991 455483534 /nfs/dbraw/zinc/48/35/34/455483534.db2.gz YCVRQFHQYVQYFK-HNNXBMFYSA-N 1 0 347.459 3.263 20 70 EGIDRO Cc1csc(CCCC[NH2+]C2CCN(CC(F)(F)F)CC2)n1 ZINC000160650247 455483852 /nfs/dbraw/zinc/48/38/52/455483852.db2.gz YMZNSZRXNOEXPN-UHFFFAOYSA-N 1 0 335.439 3.391 20 70 EGIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)c2c(F)cc(F)cc2F)C1 ZINC000160672042 455486458 /nfs/dbraw/zinc/48/64/58/455486458.db2.gz KDDOISMIHDPYFP-VXGBXAGGSA-N 1 0 328.378 3.202 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000160714307 455490792 /nfs/dbraw/zinc/49/07/92/455490792.db2.gz LONOZEFUVQHVAU-GOSISDBHSA-N 1 0 342.487 3.147 20 70 EGIDRO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000160879893 455508343 /nfs/dbraw/zinc/50/83/43/455508343.db2.gz QISYSWZHNSXTLZ-QGZVFWFLSA-N 1 0 332.488 3.112 20 70 EGIDRO CCCOc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1OCCC ZINC000160916984 455513480 /nfs/dbraw/zinc/51/34/80/455513480.db2.gz UIEHNPBLMUVMPT-HZPDHXFCSA-N 1 0 334.460 3.264 20 70 EGIDRO Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160930662 455515085 /nfs/dbraw/zinc/51/50/85/455515085.db2.gz AOHKGFAOTLBPJT-IBGZPJMESA-N 1 0 329.465 3.317 20 70 EGIDRO Cc1c(/C=C/C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)cnn1C ZINC000160976317 455520217 /nfs/dbraw/zinc/52/02/17/455520217.db2.gz WWRTZWMOEXLJLC-JXMROGBWSA-N 1 0 338.455 3.019 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)C[C@@H](C)Cc2ccccc2OC)CC1 ZINC000161003934 455523372 /nfs/dbraw/zinc/52/33/72/455523372.db2.gz AAEYWWGLVZMLEM-INIZCTEOSA-N 1 0 332.488 3.112 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2ccccc2OC(F)F)CC1 ZINC000161062850 455528723 /nfs/dbraw/zinc/52/87/23/455528723.db2.gz SBXPJBMGUVPOHW-BQYQJAHWSA-N 1 0 338.398 3.149 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NCC[N@H+](C)Cc2ccccc2)n1 ZINC000161074630 455529913 /nfs/dbraw/zinc/52/99/13/455529913.db2.gz KOYJFAHJQWFOLV-UHFFFAOYSA-N 1 0 343.475 3.183 20 70 EGIDRO CCN(Cc1cnn(C)c1)[C@@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000161118826 455535899 /nfs/dbraw/zinc/53/58/99/455535899.db2.gz LKHDCGVCEOUFPA-GOEBONIOSA-N 1 0 346.500 3.056 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)Cc1ccccc1Br ZINC000161253449 455553307 /nfs/dbraw/zinc/55/33/07/455553307.db2.gz MWJMEKRGZPFZQL-LBPRGKRZSA-N 1 0 341.293 3.261 20 70 EGIDRO C[C@H](C[NH2+]C1CCN(CC(F)F)CC1)COCc1ccccc1 ZINC000161299908 455557079 /nfs/dbraw/zinc/55/70/79/455557079.db2.gz UHXVGGDYFYDGLH-OAHLLOKOSA-N 1 0 326.431 3.158 20 70 EGIDRO O=C(N[C@@H](COCc1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000161303912 455557430 /nfs/dbraw/zinc/55/74/30/455557430.db2.gz IUBMUPGOOZJGEQ-FQEVSTJZSA-N 1 0 338.451 3.060 20 70 EGIDRO COc1cccc([C@@H](O)C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)c1 ZINC000161301109 455557708 /nfs/dbraw/zinc/55/77/08/455557708.db2.gz JGNRBZKRUYYNFT-MOPGFXCFSA-N 1 0 343.423 3.241 20 70 EGIDRO Cc1nc(CC(=O)NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)c(C)s1 ZINC000161356976 455562055 /nfs/dbraw/zinc/56/20/55/455562055.db2.gz NIFXPDFXXCAQIP-BETUJISGSA-N 1 0 337.533 3.175 20 70 EGIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)Nc3ccc4ncsc4c3)CC[C@@H]21 ZINC000161402724 455566734 /nfs/dbraw/zinc/56/67/34/455566734.db2.gz FFTHLIOQJOOMGE-DOMZBBRYSA-N 1 0 330.457 3.244 20 70 EGIDRO CCOc1ccc(-c2nc(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000161421457 455568844 /nfs/dbraw/zinc/56/88/44/455568844.db2.gz HKPVZQDHYAVDCT-UONOGXRCSA-N 1 0 345.468 3.209 20 70 EGIDRO O=C(Nc1cccc(F)c1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000161485655 455574397 /nfs/dbraw/zinc/57/43/97/455574397.db2.gz BLDZMAVBTGLXRI-UHFFFAOYSA-N 1 0 349.450 3.182 20 70 EGIDRO C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000161486821 455574437 /nfs/dbraw/zinc/57/44/37/455574437.db2.gz QDUFJVRDRCTSAQ-QAPCUYQASA-N 1 0 340.423 3.070 20 70 EGIDRO CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[NH2+]C1CCCC1 ZINC000218288631 456034407 /nfs/dbraw/zinc/03/44/07/456034407.db2.gz CVDVDBGYVICRIK-ROUUACIJSA-N 1 0 348.487 3.016 20 70 EGIDRO C[C@@H](CO[C@H]1CCOC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000159779579 534167399 /nfs/dbraw/zinc/16/73/99/534167399.db2.gz NIWRFURQMYCNPZ-HUBLWGQQSA-N 1 0 328.250 3.294 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(Br)s1)CC2 ZINC000160368318 534702576 /nfs/dbraw/zinc/70/25/76/534702576.db2.gz ZSKAKCBESKRMCZ-WPRPVWTQSA-N 1 0 341.278 3.076 20 70 EGIDRO CC(C)([NH3+])CNC(=O)C1(c2cccc(Br)c2)CCCC1 ZINC000159985761 527245068 /nfs/dbraw/zinc/24/50/68/527245068.db2.gz KTFUBTADFWQMIZ-UHFFFAOYSA-N 1 0 339.277 3.114 20 70 EGIDRO CCCCCOc1cc(C[NH+]2CCC(CC(N)=O)CC2)ccc1OC ZINC000159797089 528233656 /nfs/dbraw/zinc/23/36/56/528233656.db2.gz RBNVFXQTAKWFGR-UHFFFAOYSA-N 1 0 348.487 3.352 20 70 EGIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@@H](C)c1nnc(C)o1 ZINC000160085819 528349223 /nfs/dbraw/zinc/34/92/23/528349223.db2.gz JCCSWUGDRHAXJG-AWEZNQCLSA-N 1 0 329.448 3.073 20 70 EGIDRO CCOc1ccc([C@@H](C)[NH2+]CCCN2CCCC2=O)cc1OCC ZINC000159578788 528595208 /nfs/dbraw/zinc/59/52/08/528595208.db2.gz RCTFKGOQXIHEGF-OAHLLOKOSA-N 1 0 334.460 3.147 20 70 EGIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000160944986 529182338 /nfs/dbraw/zinc/18/23/38/529182338.db2.gz RIAUZLKKLRHQGK-GPMSIDNRSA-N 1 0 332.488 3.460 20 70 EGIDRO C[C@H]1CC(NC(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000160861774 546950921 /nfs/dbraw/zinc/95/09/21/546950921.db2.gz KMXSALBSFNQVJB-GJZGRUSLSA-N 1 0 349.475 3.095 20 70 EGIDRO C[C@H](c1nnc(-c2cccs2)o1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161367359 546954936 /nfs/dbraw/zinc/95/49/36/546954936.db2.gz OQTCRANWZOGVGV-CYBMUJFWSA-N 1 0 341.440 3.076 20 70 EGIDRO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000216720831 574770462 /nfs/dbraw/zinc/77/04/62/574770462.db2.gz CNDGYKIXPGSEGM-OWCLPIDISA-N 1 0 346.471 3.130 20 70 EGIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000161502454 299302606 /nfs/dbraw/zinc/30/26/06/299302606.db2.gz JFZULUHGSYNBLC-LPHOPBHVSA-N 1 0 338.451 3.240 20 70 EGIDRO COc1ccc(C)cc1-c1csc(NC(=O)[C@@]2(C)CCC[NH2+]C2)n1 ZINC000161314488 533372746 /nfs/dbraw/zinc/37/27/46/533372746.db2.gz CGIFIGDHRPSNQY-SFHVURJKSA-N 1 0 345.468 3.455 20 70 EGIDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000159393807 140937571 /nfs/dbraw/zinc/93/75/71/140937571.db2.gz OTQUKBICABLHKJ-LJQANCHMSA-N 1 0 342.487 3.082 20 70 EGIDRO Cc1ccc([C@H](C)CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1 ZINC000159659361 140943940 /nfs/dbraw/zinc/94/39/40/140943940.db2.gz YBWDFACOQOFFFR-MRXNPFEDSA-N 1 0 325.456 3.255 20 70 EGIDRO Cc1cc(C)cc(OCCC(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159833654 225286089 /nfs/dbraw/zinc/28/60/89/225286089.db2.gz ALZFHNLHNLZHDU-UHFFFAOYSA-N 1 0 330.472 3.063 20 70 EGIDRO COCc1ccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000160270297 225375176 /nfs/dbraw/zinc/37/51/76/225375176.db2.gz VOQZRGPSWCVBSW-UHFFFAOYSA-N 1 0 347.503 3.096 20 70 EGIDRO O=C(N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cc(F)cc1F ZINC000160297947 225382985 /nfs/dbraw/zinc/38/29/85/225382985.db2.gz VCMVASGXZVZYTC-OAHLLOKOSA-N 1 0 348.368 3.498 20 70 EGIDRO [NH3+]C[C@H]1CCCN1C(=O)CCCOc1ccc(Cl)cc1Cl ZINC000160165113 225351086 /nfs/dbraw/zinc/35/10/86/225351086.db2.gz HDSKCCCXGLYXHN-GFCCVEGCSA-N 1 0 331.243 3.102 20 70 EGIDRO CO[C@H]1CCN(Cc2cc(Cl)ccc2Br)[C@H](C[NH3+])C1 ZINC000161031506 225530477 /nfs/dbraw/zinc/53/04/77/225530477.db2.gz DZKKECJCWTWFNK-STQMWFEESA-N 1 0 347.684 3.041 20 70 EGIDRO C[C@@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cscn1 ZINC000218239143 266194690 /nfs/dbraw/zinc/19/46/90/266194690.db2.gz FCTCQOIEYXSARM-GFCCVEGCSA-N 1 0 325.478 3.441 20 70 EGIDRO C[C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CC[C@H]1c1ccccc1 ZINC000161232995 278395292 /nfs/dbraw/zinc/39/52/92/278395292.db2.gz RXQMWLDOXJVTJZ-OXJNMPFZSA-N 1 0 334.463 3.135 20 70 EGIDRO CCOc1cccc(C[NH2+][C@@H](C)Cn2cc(Br)cn2)c1 ZINC000159391736 307873397 /nfs/dbraw/zinc/87/33/97/307873397.db2.gz VHECAABSFIHAKP-LBPRGKRZSA-N 1 0 338.249 3.223 20 70 EGIDRO Cc1ccc(OCCNC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000159747368 307878802 /nfs/dbraw/zinc/87/88/02/307878802.db2.gz ILPLNOAJSZAYBR-UHFFFAOYSA-N 1 0 347.503 3.137 20 70 EGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H](C)CC(=O)N(CC)CC)c1 ZINC000159926373 307882243 /nfs/dbraw/zinc/88/22/43/307882243.db2.gz YFYGOWCPOGGOJS-HNNXBMFYSA-N 1 0 333.476 3.162 20 70 EGIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000160002803 307883489 /nfs/dbraw/zinc/88/34/89/307883489.db2.gz YIUUPSKTHRKVBJ-MAUKXSAKSA-N 1 0 348.535 3.393 20 70 EGIDRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1CO ZINC000160478515 307890407 /nfs/dbraw/zinc/89/04/07/307890407.db2.gz RXWKMZUSFPFGPZ-CRAIPNDOSA-N 1 0 348.487 3.447 20 70 EGIDRO C[C@H](C[C@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000160592308 307892277 /nfs/dbraw/zinc/89/22/77/307892277.db2.gz WFGRYWSSZNJBDE-QBPKDAKJSA-N 1 0 340.508 3.305 20 70 EGIDRO Cc1c(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)cnn1CC(C)C ZINC000160994330 307896968 /nfs/dbraw/zinc/89/69/68/307896968.db2.gz DSCJDNYWJVOWLK-UHFFFAOYSA-N 1 0 334.508 3.042 20 70 EGIDRO CCC(CC)n1ncc(C(=O)NC[C@@H](C)[NH+]2CCC(C)CC2)c1C ZINC000161379681 307902088 /nfs/dbraw/zinc/90/20/88/307902088.db2.gz ZCSRAPINHGXSRC-OAHLLOKOSA-N 1 0 334.508 3.403 20 70 EGIDRO COc1ccc2c(c1)oc(C(=O)N1CC[NH2+]CC1)c2-c1ccccc1 ZINC000159373700 455372765 /nfs/dbraw/zinc/37/27/65/455372765.db2.gz XPUBNWKPUJBCPR-UHFFFAOYSA-N 1 0 336.391 3.154 20 70 EGIDRO CNS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCc2cc(C)cc(C)c2)cc1 ZINC000159511791 455381695 /nfs/dbraw/zinc/38/16/95/455381695.db2.gz WMRZAVLSTGCFTI-MRXNPFEDSA-N 1 0 346.496 3.105 20 70 EGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc(Br)cn1 ZINC000159591399 455387494 /nfs/dbraw/zinc/38/74/94/455387494.db2.gz YGLOIVVSLYEAIO-AAEUAGOBSA-N 1 0 338.249 3.047 20 70 EGIDRO CCCCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1(C)C ZINC000159805856 455406274 /nfs/dbraw/zinc/40/62/74/455406274.db2.gz XRIUQKHGBRTKJI-ZWKOTPCHSA-N 1 0 348.487 3.458 20 70 EGIDRO CCCOc1cc(C)ccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159966637 455419249 /nfs/dbraw/zinc/41/92/49/455419249.db2.gz JZWAQASNFNFWMZ-UHFFFAOYSA-N 1 0 333.476 3.021 20 70 EGIDRO O=C(C[C@H]1CSCCS1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000160032449 455422989 /nfs/dbraw/zinc/42/29/89/455422989.db2.gz HSHZTZRULAZYNM-INIZCTEOSA-N 1 0 342.574 3.138 20 70 EGIDRO C[C@@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(-n2cnnn2)cc1 ZINC000160381872 455453021 /nfs/dbraw/zinc/45/30/21/455453021.db2.gz SNOBQZBBIQRBFP-LLVKDONJSA-N 1 0 333.848 3.271 20 70 EGIDRO CCOc1ccc(Cl)cc1[C@@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160403196 455455156 /nfs/dbraw/zinc/45/51/56/455455156.db2.gz IAWCNSJCKAODKE-BXUZGUMPSA-N 1 0 334.851 3.304 20 70 EGIDRO C[C@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccc(-n2cncn2)cc1 ZINC000160419651 455457210 /nfs/dbraw/zinc/45/72/10/455457210.db2.gz ZWFDVSAZRITQBY-JXFKEZNVSA-N 1 0 341.503 3.428 20 70 EGIDRO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@@H]1CCc2ccccc2C1 ZINC000160795968 455499302 /nfs/dbraw/zinc/49/93/02/455499302.db2.gz ITIHDPCSYWQQPM-AZUAARDMSA-N 1 0 341.499 3.202 20 70 EGIDRO CC1(C)C(=O)Nc2ccccc2N1C(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000159643890 455392360 /nfs/dbraw/zinc/39/23/60/455392360.db2.gz XZOXWWPGPVYHHP-HOCLYGCPSA-N 1 0 341.455 3.015 20 70 EGIDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000159656513 455393514 /nfs/dbraw/zinc/39/35/14/455393514.db2.gz RDIRNSAQIBILGC-LLVKDONJSA-N 1 0 335.245 3.188 20 70 EGIDRO O=C(CSc1ccc2ccccc2c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159892504 455413412 /nfs/dbraw/zinc/41/34/12/455413412.db2.gz IVLPKZKYPIIRMS-CALCHBBNSA-N 1 0 326.465 3.285 20 70 EGIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)CCCc1nc(C2CC2)no1 ZINC000159934572 455416551 /nfs/dbraw/zinc/41/65/51/455416551.db2.gz TXCGSYJGZZIYMJ-HNNXBMFYSA-N 1 0 348.491 3.041 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1Br ZINC000160152181 455432505 /nfs/dbraw/zinc/43/25/05/455432505.db2.gz WYWXMYAPISAMJY-PWSUYJOCSA-N 1 0 348.306 3.222 20 70 EGIDRO COC(=O)c1cccc(OCC[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000160257550 455442444 /nfs/dbraw/zinc/44/24/44/455442444.db2.gz RPJSKTZAWDBCSE-LJQANCHMSA-N 1 0 340.423 3.393 20 70 EGIDRO CCOCCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000160271368 455443890 /nfs/dbraw/zinc/44/38/90/455443890.db2.gz JKGDGXNIWVHHNS-KRWDZBQOSA-N 1 0 333.476 3.255 20 70 EGIDRO C[C@]1(CNC(=O)NCCC[N@@H+]2CCc3ccccc3C2)CCCS1 ZINC000160292262 455444860 /nfs/dbraw/zinc/44/48/60/455444860.db2.gz QWYZEUOYJBDCMN-LJQANCHMSA-N 1 0 347.528 3.020 20 70 EGIDRO CC[N@H+](Cc1ccc(C(=O)NC[C@H](C)Cn2cccn2)cc1)C(C)C ZINC000160323526 455448206 /nfs/dbraw/zinc/44/82/06/455448206.db2.gz RFXXCGRVEAEQDD-KRWDZBQOSA-N 1 0 342.487 3.180 20 70 EGIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160478974 455464671 /nfs/dbraw/zinc/46/46/71/455464671.db2.gz DYGCQAYRUTWGLK-JOQOYGCGSA-N 1 0 331.460 3.172 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160480195 455464728 /nfs/dbraw/zinc/46/47/28/455464728.db2.gz NHRGIEAWQGMYFO-ZIAGYGMSSA-N 1 0 328.378 3.443 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)c2sc(-c3ccc(C)cc3C)nc2C)C1 ZINC000160623244 455480852 /nfs/dbraw/zinc/48/08/52/455480852.db2.gz OZAIXPVDQRFUJD-CQSZACIVSA-N 1 0 329.469 3.169 20 70 EGIDRO COc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CCOCC3)cc2)cc1 ZINC000160623485 455480929 /nfs/dbraw/zinc/48/09/29/455480929.db2.gz OGTMPWGRSMBBIQ-KRWDZBQOSA-N 1 0 340.467 3.378 20 70 EGIDRO CCOCCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000160665908 455485791 /nfs/dbraw/zinc/48/57/91/455485791.db2.gz NPWJNADVWOCTOH-QGZVFWFLSA-N 1 0 339.524 3.099 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)C1 ZINC000160782412 455497783 /nfs/dbraw/zinc/49/77/83/455497783.db2.gz NCPYIWLKIQYBSO-KRWDZBQOSA-N 1 0 326.465 3.413 20 70 EGIDRO Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000160908956 455511673 /nfs/dbraw/zinc/51/16/73/455511673.db2.gz KZSPHIFIGMFAPH-NSHDSACASA-N 1 0 335.448 3.433 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCCc3sccc32)cc1 ZINC000160999144 455521955 /nfs/dbraw/zinc/52/19/55/455521955.db2.gz WWGBEGCTHQGOPE-MRXNPFEDSA-N 1 0 330.453 3.040 20 70 EGIDRO CCOc1ccccc1[C@H](C)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000161007478 455523199 /nfs/dbraw/zinc/52/31/99/455523199.db2.gz HPRZLZGPGDFGNW-HNNXBMFYSA-N 1 0 342.439 3.061 20 70 EGIDRO CSCC[C@@H]([NH3+])C(=O)NCc1ccc(-c2cccc(C)c2)cc1 ZINC000161005892 455523271 /nfs/dbraw/zinc/52/32/71/455523271.db2.gz QMAQFWKIAPACNT-GOSISDBHSA-N 1 0 328.481 3.359 20 70 EGIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCc3c(F)cccc3C2)CC1 ZINC000161055173 455527948 /nfs/dbraw/zinc/52/79/48/455527948.db2.gz CXWHIYRJBDGPOL-UHFFFAOYSA-N 1 0 332.463 3.469 20 70 EGIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000161090898 455532034 /nfs/dbraw/zinc/53/20/34/455532034.db2.gz JQZOTXIKOMZLBP-KKUMJFAQSA-N 1 0 347.894 3.444 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2cccnc2SC(F)(F)F)CC1 ZINC000161104897 455533697 /nfs/dbraw/zinc/53/36/97/455533697.db2.gz SFQYKKAWGGGMKC-UHFFFAOYSA-N 1 0 347.406 3.155 20 70 EGIDRO CCC[N@H+](Cc1ccc(OC)c2ccccc12)[C@H]1CCS(=O)(=O)C1 ZINC000161117520 455536503 /nfs/dbraw/zinc/53/65/03/455536503.db2.gz SVBXHMKQQJQPPH-INIZCTEOSA-N 1 0 347.480 3.248 20 70 EGIDRO CC(C)OCc1c2ccccc2oc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161167477 455543005 /nfs/dbraw/zinc/54/30/05/455543005.db2.gz CPRCWSCWOGKYSX-KBPBESRZSA-N 1 0 330.428 3.358 20 70 EGIDRO CC[C@H](C)c1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)on1 ZINC000161183106 455545209 /nfs/dbraw/zinc/54/52/09/455545209.db2.gz RKVNJHYIEJVDTO-LRDDRELGSA-N 1 0 333.407 3.360 20 70 EGIDRO Cc1nnc([C@@H](C)Nc2ccc(N3CCC(C[NH+](C)C)CC3)cc2)o1 ZINC000161186124 455545833 /nfs/dbraw/zinc/54/58/33/455545833.db2.gz MKXHPUPUUURNQC-CQSZACIVSA-N 1 0 343.475 3.329 20 70 EGIDRO C[C@H](CNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F)C[NH+]1CCCCC1 ZINC000161210503 455548619 /nfs/dbraw/zinc/54/86/19/455548619.db2.gz PTJZTTHOSGFOSG-FVQBIDKESA-N 1 0 336.426 3.307 20 70 EGIDRO CCOC[C@@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000161306539 455557678 /nfs/dbraw/zinc/55/76/78/455557678.db2.gz OZZQUMZTSKGAAZ-ICSRJNTNSA-N 1 0 347.430 3.105 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(Cl)s3)on2)C1 ZINC000161311311 455558391 /nfs/dbraw/zinc/55/83/91/455558391.db2.gz YUEJQAMLZGXOLA-RKDXNWHRSA-N 1 0 325.821 3.056 20 70 EGIDRO c1ccc2c(c1)cccc2OCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161318534 455558457 /nfs/dbraw/zinc/55/84/57/455558457.db2.gz HPQWVJZLFGCVBS-UHFFFAOYSA-N 1 0 327.424 3.494 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000161319154 455559255 /nfs/dbraw/zinc/55/92/55/455559255.db2.gz XOLKDOPPBQUWBD-NWDGAFQWSA-N 1 0 337.217 3.195 20 70 EGIDRO Cc1cc(C)cc(C[C@@H](C)NC(=O)c2cccn2C2CC[NH2+]CC2)c1 ZINC000161348830 455560956 /nfs/dbraw/zinc/56/09/56/455560956.db2.gz KFUQVBMYYQGOMA-QGZVFWFLSA-N 1 0 339.483 3.390 20 70 EGIDRO Cc1ccccc1C1(C[NH2+]C2CCC3(CC2)OCCO3)CCOCC1 ZINC000161358415 455562986 /nfs/dbraw/zinc/56/29/86/455562986.db2.gz XRZXFVFBOYBTLL-UHFFFAOYSA-N 1 0 345.483 3.319 20 70 EGIDRO Cc1ccc([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)N2CCCC2)cc1 ZINC000161384894 455564767 /nfs/dbraw/zinc/56/47/67/455564767.db2.gz SDKNRZJMEKSRSU-HXUWFJFHSA-N 1 0 344.499 3.407 20 70 EGIDRO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161392969 455565424 /nfs/dbraw/zinc/56/54/24/455565424.db2.gz BXFOOGXZQWBQIW-QGZVFWFLSA-N 1 0 340.471 3.391 20 70 EGIDRO COc1ccc([C@H](CCO)[NH2+]CCC(=O)c2ccc(C)cc2)cc1 ZINC000161434139 455570103 /nfs/dbraw/zinc/57/01/03/455570103.db2.gz KQOLWPHCAJYJRA-IBGZPJMESA-N 1 0 327.424 3.290 20 70 EGIDRO C[C@@H](CCc1ccco1)[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000161461323 455572347 /nfs/dbraw/zinc/57/23/47/455572347.db2.gz UXCOPJUYEGRBSW-HNNXBMFYSA-N 1 0 340.423 3.267 20 70 EGIDRO CC(=O)NC1CCC([NH2+]Cc2ccnc(O[C@H](C)CC(C)C)c2)CC1 ZINC000161500191 455575548 /nfs/dbraw/zinc/57/55/48/455575548.db2.gz UFNYPKRMCPFSHH-VNCLNFNDSA-N 1 0 347.503 3.432 20 70 EGIDRO CC(C)c1ccc([C@@H](NC(=O)C[N@H+](CCO)C(C)C)C(C)C)cc1 ZINC000216654908 456030583 /nfs/dbraw/zinc/03/05/83/456030583.db2.gz BZQRPIGGOFLVQP-FQEVSTJZSA-N 1 0 334.504 3.326 20 70 EGIDRO CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCC(=O)C[C@@H]1C)Cc1ccccc1 ZINC000159854553 528243195 /nfs/dbraw/zinc/24/31/95/528243195.db2.gz UKUHLKWPAZOKSN-HQRMLTQVSA-N 1 0 344.499 3.061 20 70 EGIDRO CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000160194356 528268883 /nfs/dbraw/zinc/26/88/83/528268883.db2.gz PCMLWLZLIMDPBT-AWEZNQCLSA-N 1 0 343.446 3.492 20 70 EGIDRO Cc1cccc([C@H](NC(=O)CCCn2ccnc2)c2ccccn2)c1 ZINC000159858173 546941580 /nfs/dbraw/zinc/94/15/80/546941580.db2.gz HMDUKRMODMOHPR-FQEVSTJZSA-N 1 0 334.423 3.273 20 70 EGIDRO CCC[NH+]1CCC(NCc2ccc(N3CCCCCC3)nc2)CC1 ZINC000160515657 546947571 /nfs/dbraw/zinc/94/75/71/546947571.db2.gz IHNLMELEFRUDJV-UHFFFAOYSA-N 1 0 330.520 3.426 20 70 EGIDRO Cc1csc(CCCC[NH2+][C@H](C)c2cccc(-n3cnnn3)c2)n1 ZINC000160639502 546949654 /nfs/dbraw/zinc/94/96/54/546949654.db2.gz WJPJKZNPHDFWTH-CQSZACIVSA-N 1 0 342.472 3.101 20 70 EGIDRO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)cc1 ZINC000160338079 282147313 /nfs/dbraw/zinc/14/73/13/282147313.db2.gz PIOULAXJXPJHDD-GOSISDBHSA-N 1 0 330.472 3.360 20 70 EGIDRO CC[C@H]([NH3+])C(=O)Nc1ccc(Oc2ccc(CCOC)cc2)cc1 ZINC000159440581 529443434 /nfs/dbraw/zinc/44/34/34/529443434.db2.gz BGUNTELIJMXEHG-SFHVURJKSA-N 1 0 328.412 3.344 20 70 EGIDRO C[C@@H]([NH2+]C[C@@H](C1CCCCC1)N(C)C)c1ccc(-n2cncn2)cc1 ZINC000160419786 296127496 /nfs/dbraw/zinc/12/74/96/296127496.db2.gz ZWFDVSAZRITQBY-UZLBHIALSA-N 1 0 341.503 3.428 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC000160713623 532968416 /nfs/dbraw/zinc/96/84/16/532968416.db2.gz BOCMDWCXBUBTDH-QGZVFWFLSA-N 1 0 344.842 3.353 20 70 EGIDRO C[C@@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(O)c1 ZINC000159774513 533123200 /nfs/dbraw/zinc/12/32/00/533123200.db2.gz DALMKRRJGKMMAJ-WBVHZDCISA-N 1 0 331.460 3.113 20 70 EGIDRO COCc1ccccc1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160271671 533257093 /nfs/dbraw/zinc/25/70/93/533257093.db2.gz LSYRHQYSLFLBCC-UHFFFAOYSA-N 1 0 347.503 3.096 20 70 EGIDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Br)c1cnccn1 ZINC000160379457 533428494 /nfs/dbraw/zinc/42/84/94/533428494.db2.gz COSYTVZMSNDYLO-NWDGAFQWSA-N 1 0 336.233 3.357 20 70 EGIDRO CSCCCNC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000160375024 533567589 /nfs/dbraw/zinc/56/75/89/533567589.db2.gz FFHWFTZLJFIYLH-FUHWJXTLSA-N 1 0 349.544 3.434 20 70 EGIDRO CCSCC[C@@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000160017809 140951334 /nfs/dbraw/zinc/95/13/34/140951334.db2.gz LUIFLDLDYJVJKV-BXUZGUMPSA-N 1 0 331.478 3.166 20 70 EGIDRO COc1ccccc1C[C@@H](NC(=O)N(CC[NH+](C)C)C(C)C)C(C)C ZINC000159409862 264857895 /nfs/dbraw/zinc/85/78/95/264857895.db2.gz MUSVGIBQFWGKMB-GOSISDBHSA-N 1 0 349.519 3.244 20 70 EGIDRO O=C(CCOc1cccc(Cl)c1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160509016 264875636 /nfs/dbraw/zinc/87/56/36/264875636.db2.gz KJJKOLPQCGAZAO-TXEJJXNPSA-N 1 0 343.254 3.115 20 70 EGIDRO CC[NH+](CC)[C@H](C)CNC(=O)CCc1ccc(Cl)c(OC)c1 ZINC000161426073 264892905 /nfs/dbraw/zinc/89/29/05/264892905.db2.gz UOLFHMCENWUVIU-CYBMUJFWSA-N 1 0 326.868 3.128 20 70 EGIDRO CC(=O)c1ccccc1OCC[N@H+](C)CCOc1ccc(F)cc1 ZINC000216902585 266195018 /nfs/dbraw/zinc/19/50/18/266195018.db2.gz XCHRRNDGWFGGII-UHFFFAOYSA-N 1 0 331.387 3.418 20 70 EGIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1OC ZINC000160351781 276590377 /nfs/dbraw/zinc/59/03/77/276590377.db2.gz MMENBKBWOBDHAB-HIFRSBDPSA-N 1 0 334.851 3.304 20 70 EGIDRO Fc1ccc(C2(C[NH2+]C3CCC4(CC3)OCCO4)CCOCC2)cc1 ZINC000161349401 303129557 /nfs/dbraw/zinc/12/95/57/303129557.db2.gz XLWPJLGOIBLDKE-UHFFFAOYSA-N 1 0 349.446 3.149 20 70 EGIDRO CCCCn1ncc(NC(=O)N(CC[NH+](C)C)Cc2ccco2)c1C ZINC000159920012 307882283 /nfs/dbraw/zinc/88/22/83/307882283.db2.gz LTAVSDYAMZCAJD-UHFFFAOYSA-N 1 0 347.463 3.180 20 70 EGIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000159991761 307883497 /nfs/dbraw/zinc/88/34/97/307883497.db2.gz GGCAJMVTVUQBSO-GFCCVEGCSA-N 1 0 332.366 3.398 20 70 EGIDRO Cc1nc(COc2ccc(C[NH2+][C@@H]3CCOC(C)(C)C3)cc2)no1 ZINC000160435156 307889816 /nfs/dbraw/zinc/88/98/16/307889816.db2.gz KFOAJOKOELGIIU-OAHLLOKOSA-N 1 0 331.416 3.004 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NCCC[NH2+]C2CCCCC2)n1 ZINC000160890318 307895639 /nfs/dbraw/zinc/89/56/39/307895639.db2.gz UBADNWNQHLDTBR-UHFFFAOYSA-N 1 0 335.496 3.363 20 70 EGIDRO CCCCn1ncc(NC(=O)NCCC[NH2+]C2CCCCC2)c1C ZINC000159676252 455394509 /nfs/dbraw/zinc/39/45/09/455394509.db2.gz KZQHOSXGRUBGFD-UHFFFAOYSA-N 1 0 335.496 3.426 20 70 EGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000160040039 455423879 /nfs/dbraw/zinc/42/38/79/455423879.db2.gz COAQRUGEBZOYLB-OAHLLOKOSA-N 1 0 344.425 3.052 20 70 EGIDRO Cc1nc(CC(=O)N2CCC[N@H+](Cc3ccccc3)CC2)c(C)s1 ZINC000160405451 455455177 /nfs/dbraw/zinc/45/51/77/455455177.db2.gz PMZXCODXFLVREO-UHFFFAOYSA-N 1 0 343.496 3.037 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)CCCc1ncc(-c2ccccc2)o1 ZINC000160417508 455457029 /nfs/dbraw/zinc/45/70/29/455457029.db2.gz XDGVDKGYDNIERK-UHFFFAOYSA-N 1 0 329.444 3.298 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCSc3ccc(Cl)cc31)CC2 ZINC000160424227 455457154 /nfs/dbraw/zinc/45/71/54/455457154.db2.gz ZOJMKEMZXQMJBC-JSGCOSHPSA-N 1 0 334.876 3.381 20 70 EGIDRO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2OC)cc1 ZINC000160425353 455457236 /nfs/dbraw/zinc/45/72/36/455457236.db2.gz JUGFJZGEIFSWKY-OAHLLOKOSA-N 1 0 343.423 3.268 20 70 EGIDRO COc1cccc(N2CC[NH+](Cc3c[nH]nc3-c3ccccc3)CC2)c1 ZINC000160685272 455487625 /nfs/dbraw/zinc/48/76/25/455487625.db2.gz AGMXWSPHFMXZIB-UHFFFAOYSA-N 1 0 348.450 3.408 20 70 EGIDRO CC[C@H]([NH2+]C[C@@]1(N2CCOCC2)CCSC1)c1ccc(F)cc1 ZINC000160812663 455502200 /nfs/dbraw/zinc/50/22/00/455502200.db2.gz MTQFTULBIVCHMQ-ROUUACIJSA-N 1 0 338.492 3.074 20 70 EGIDRO CCC[C@@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000159565655 455386335 /nfs/dbraw/zinc/38/63/35/455386335.db2.gz XURPQVQOYYPXAX-MOPGFXCFSA-N 1 0 345.487 3.034 20 70 EGIDRO Fc1cccc(CCC[NH2+]C2CCN(Cc3cccnc3)CC2)c1 ZINC000159816686 455407128 /nfs/dbraw/zinc/40/71/28/455407128.db2.gz VAAYWDSFKXOZOU-UHFFFAOYSA-N 1 0 327.447 3.408 20 70 EGIDRO O=C([C@@H]1C[C@]12CCCc1ccccc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000159825035 455407307 /nfs/dbraw/zinc/40/73/07/455407307.db2.gz WTPABXCIIQFRQJ-UNMCSNQZSA-N 1 0 338.495 3.271 20 70 EGIDRO CC[C@H](C(=O)N(C)CCCc1cc(-c2ccccc2)no1)[NH+](C)C ZINC000159897476 455413736 /nfs/dbraw/zinc/41/37/36/455413736.db2.gz SGGODDLDCFZGIG-GOSISDBHSA-N 1 0 329.444 3.073 20 70 EGIDRO CCC[NH+]1CCC([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000159994924 455421218 /nfs/dbraw/zinc/42/12/18/455421218.db2.gz VVFOJOWUYUWJHS-UHFFFAOYSA-N 1 0 337.552 3.077 20 70 EGIDRO C[NH+](C)CCN(C(=O)Cc1csc(-c2ccoc2)n1)C1CCCC1 ZINC000160058545 455424806 /nfs/dbraw/zinc/42/48/06/455424806.db2.gz QYKPOXZRWVLQII-UHFFFAOYSA-N 1 0 347.484 3.278 20 70 EGIDRO COc1cc(C2(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)CC2)ccc1C ZINC000160062368 455424981 /nfs/dbraw/zinc/42/49/81/455424981.db2.gz WBOZDDHEIRWATE-QGZVFWFLSA-N 1 0 344.499 3.416 20 70 EGIDRO CC[NH+](CC)CCOc1ccc(CN[C@@H](C)c2cnccn2)cc1 ZINC000160275861 455443945 /nfs/dbraw/zinc/44/39/45/455443945.db2.gz GLVDJDCMRPSHOM-INIZCTEOSA-N 1 0 328.460 3.048 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(OCC(C)C)cc1)CC2 ZINC000160454110 455461630 /nfs/dbraw/zinc/46/16/30/455461630.db2.gz PMSITFURMWCMKS-PBHICJAKSA-N 1 0 328.460 3.287 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCCOc3c(C)cc(C)cc31)CC2 ZINC000160518246 455468238 /nfs/dbraw/zinc/46/82/38/455468238.db2.gz RDSFWQGHIMLWEU-WBVHZDCISA-N 1 0 326.444 3.022 20 70 EGIDRO CC(C)C[C@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000160558859 455473626 /nfs/dbraw/zinc/47/36/26/455473626.db2.gz XIRMYHYRDGYWHU-SJORKVTESA-N 1 0 338.879 3.312 20 70 EGIDRO C[N@H+](CCNC(=O)CCc1ccc(F)cc1F)Cc1ccccc1 ZINC000160678642 455486645 /nfs/dbraw/zinc/48/66/45/455486645.db2.gz KNDCDQPWNPSXJB-UHFFFAOYSA-N 1 0 332.394 3.146 20 70 EGIDRO CC[C@H]([NH2+]CCNC(=O)c1cccc(OC)c1)c1ccc(F)cc1 ZINC000160712756 455490916 /nfs/dbraw/zinc/49/09/16/455490916.db2.gz YKGMQAVPARFGJY-SFHVURJKSA-N 1 0 330.403 3.305 20 70 EGIDRO CSCC[C@H]([NH3+])C(=O)N(CCc1ccc(Cl)cc1)CC1CC1 ZINC000160882266 455508805 /nfs/dbraw/zinc/50/88/05/455508805.db2.gz CRNJWDHWPGPXKE-INIZCTEOSA-N 1 0 340.920 3.202 20 70 EGIDRO C[C@@H]([NH2+]C[C@H](C)N(C)Cc1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000160892950 455509948 /nfs/dbraw/zinc/50/99/48/455509948.db2.gz HVQOBIGNIUEZGY-ZWKOTPCHSA-N 1 0 349.482 3.438 20 70 EGIDRO CCCN(CCc1ccccn1)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160895935 455510840 /nfs/dbraw/zinc/51/08/40/455510840.db2.gz IEKSKVPZOBSUGQ-GOSISDBHSA-N 1 0 344.503 3.063 20 70 EGIDRO CC(C)C[C@@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000160898605 455511173 /nfs/dbraw/zinc/51/11/73/455511173.db2.gz CDZIFHIGUSSHLK-CVEARBPZSA-N 1 0 332.492 3.341 20 70 EGIDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C[C@@H](C)O1 ZINC000160929836 455515168 /nfs/dbraw/zinc/51/51/68/455515168.db2.gz QEQLQFTYAGXPIT-HUUCEWRRSA-N 1 0 342.483 3.214 20 70 EGIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C(C)C ZINC000160944602 455516712 /nfs/dbraw/zinc/51/67/12/455516712.db2.gz RIAUZLKKLRHQGK-FCEWJHQRSA-N 1 0 332.488 3.460 20 70 EGIDRO Cc1noc(C)c1[C@H](C)CC(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000160973913 455519107 /nfs/dbraw/zinc/51/91/07/455519107.db2.gz DZFADFJRRRROJL-PBHICJAKSA-N 1 0 335.492 3.269 20 70 EGIDRO CC(C)CNC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161035777 455526091 /nfs/dbraw/zinc/52/60/91/455526091.db2.gz QQDVWHREZXUDOU-QGZVFWFLSA-N 1 0 341.459 3.108 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)CCCCOc2cccc(C)c2)CC1 ZINC000161048460 455527455 /nfs/dbraw/zinc/52/74/55/455527455.db2.gz WRLBADMHLPJHJS-UHFFFAOYSA-N 1 0 332.488 3.392 20 70 EGIDRO Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)c(Br)c1 ZINC000161138820 455539222 /nfs/dbraw/zinc/53/92/22/455539222.db2.gz RPOSMXYOFYRULA-UHFFFAOYSA-N 1 0 339.277 3.171 20 70 EGIDRO Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c(Br)c1 ZINC000161166616 455542892 /nfs/dbraw/zinc/54/28/92/455542892.db2.gz AJGFCAGSHJSBNX-CYBMUJFWSA-N 1 0 337.261 3.068 20 70 EGIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCCCCC2)CC1 ZINC000161170937 455542911 /nfs/dbraw/zinc/54/29/11/455542911.db2.gz ITBCTDNUFYPQAK-MRXNPFEDSA-N 1 0 330.476 3.193 20 70 EGIDRO C[C@@]1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC[NH2+]C1 ZINC000161175620 455544306 /nfs/dbraw/zinc/54/43/06/455544306.db2.gz DUZDWCDLQBSZIJ-MRXNPFEDSA-N 1 0 340.389 3.243 20 70 EGIDRO C[NH+](C)[C@H](CNC(=O)c1c(F)cc(F)cc1F)c1ccc(F)cc1 ZINC000161178633 455544604 /nfs/dbraw/zinc/54/46/04/455544604.db2.gz XZPKZOHJRZNEJS-OAHLLOKOSA-N 1 0 340.320 3.276 20 70 EGIDRO Cc1noc(C)c1[C@@H](C)CC(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000161201778 455547751 /nfs/dbraw/zinc/54/77/51/455547751.db2.gz AMROCIFIYXQMQO-WMLDXEAASA-N 1 0 335.492 3.412 20 70 EGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000161200244 455547868 /nfs/dbraw/zinc/54/78/68/455547868.db2.gz ZZYTZVKOQWGVKG-FXAWDEMLSA-N 1 0 326.488 3.456 20 70 EGIDRO Cc1ccc(C(=O)CC[NH+]2CCC(OC[C@@H]3CCOC3)CC2)cc1 ZINC000161207401 455548533 /nfs/dbraw/zinc/54/85/33/455548533.db2.gz IDFWYFALUPVJTO-QGZVFWFLSA-N 1 0 331.456 3.085 20 70 EGIDRO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161222753 455549350 /nfs/dbraw/zinc/54/93/50/455549350.db2.gz YBOOUENHLRVGLY-GJZGRUSLSA-N 1 0 329.469 3.042 20 70 EGIDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CCOCC1 ZINC000161267341 455553530 /nfs/dbraw/zinc/55/35/30/455553530.db2.gz MCNWTUBONJIWCT-GDBMZVCRSA-N 1 0 328.497 3.331 20 70 EGIDRO C[NH+]1CCC(NC(=O)Nc2ccc(Br)c(Cl)c2)CC1 ZINC000161294138 455556531 /nfs/dbraw/zinc/55/65/31/455556531.db2.gz OXGSWRHLNAOQJJ-UHFFFAOYSA-N 1 0 346.656 3.318 20 70 EGIDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccccc2OC2CCCCC2)C1 ZINC000161329164 455559944 /nfs/dbraw/zinc/55/99/44/455559944.db2.gz UKZTYIPSTMDJBK-INIZCTEOSA-N 1 0 330.472 3.470 20 70 EGIDRO C[C@@]1(C(=O)NCc2ccc(OCc3ccccc3)cc2)CCC[NH2+]C1 ZINC000161346786 455561231 /nfs/dbraw/zinc/56/12/31/455561231.db2.gz QJYWOAXUXBUSBU-OAQYLSRUSA-N 1 0 338.451 3.272 20 70 EGIDRO CO[C@@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000161359147 455563133 /nfs/dbraw/zinc/56/31/33/455563133.db2.gz NGVDNZPCSXFRHS-WOJBJXKFSA-N 1 0 338.451 3.327 20 70 EGIDRO Cc1cccc(-c2cncc(C(=O)NC3CC[NH+](C4CC4)CC3)c2)c1 ZINC000161404237 455566724 /nfs/dbraw/zinc/56/67/24/455566724.db2.gz VLNMGJNGEMMOCG-UHFFFAOYSA-N 1 0 335.451 3.414 20 70 EGIDRO CSc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161406549 455567671 /nfs/dbraw/zinc/56/76/71/455567671.db2.gz MOISULHEVMVZJN-OAHLLOKOSA-N 1 0 328.485 3.326 20 70 EGIDRO C[C@H](C[NH+]1CCCCC1)NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000161430408 455569758 /nfs/dbraw/zinc/56/97/58/455569758.db2.gz OLJHFRWJMQPTMN-CYBMUJFWSA-N 1 0 344.377 3.118 20 70 EGIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161464904 455573184 /nfs/dbraw/zinc/57/31/84/455573184.db2.gz PDKRASFYZXVCAZ-BYCMXARLSA-N 1 0 328.378 3.270 20 70 EGIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H](CCO)C(C)(C)C ZINC000161506134 455576330 /nfs/dbraw/zinc/57/63/30/455576330.db2.gz HMKPLYFCZBJTOW-GOSISDBHSA-N 1 0 349.519 3.125 20 70 EGIDRO Fc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000217673489 456033171 /nfs/dbraw/zinc/03/31/71/456033171.db2.gz UMAVVVVFESXDJY-GJZGRUSLSA-N 1 0 327.241 3.305 20 70 EGIDRO C[N@@H+]1CCN(Cc2cnn(-c3ccccc3)c2)[C@@H](c2ccccc2)C1 ZINC000217715622 456033951 /nfs/dbraw/zinc/03/39/51/456033951.db2.gz SBBRSUMIWMENPA-OAQYLSRUSA-N 1 0 332.451 3.361 20 70 EGIDRO COc1cccc([C@H](CNC(=O)c2cccn2C(C)C)[NH+](C)C)c1 ZINC000161085025 533779741 /nfs/dbraw/zinc/77/97/41/533779741.db2.gz SZVKHOUCDPPUKF-SFHVURJKSA-N 1 0 329.444 3.110 20 70 EGIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000160129590 534230500 /nfs/dbraw/zinc/23/05/00/534230500.db2.gz ZDUWSNWUSWKVIP-SWLSCSKDSA-N 1 0 328.378 3.094 20 70 EGIDRO [NH3+]C1(CNC(=O)c2cc(Br)ccc2Cl)CCCCC1 ZINC000159688854 534547891 /nfs/dbraw/zinc/54/78/91/534547891.db2.gz LEZNMQGLMIXMBX-UHFFFAOYSA-N 1 0 345.668 3.494 20 70 EGIDRO O=S(=O)(c1ccc(Cl)s1)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000160176629 534872861 /nfs/dbraw/zinc/87/28/61/534872861.db2.gz FKVURCUSDMOFBH-GFCCVEGCSA-N 1 0 348.921 3.041 20 70 EGIDRO CC[N@@H+]1CC[C@H](NCc2c(C)nn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000159839811 527883115 /nfs/dbraw/zinc/88/31/15/527883115.db2.gz APEWIJIQONJMQI-QRWLVFNGSA-N 1 0 326.488 3.309 20 70 EGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)cn1 ZINC000160080712 528162716 /nfs/dbraw/zinc/16/27/16/528162716.db2.gz LYHBVRWDRHEYCH-FATZIPQQSA-N 1 0 332.469 3.457 20 70 EGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCO3)c1 ZINC000160566566 528463328 /nfs/dbraw/zinc/46/33/28/528463328.db2.gz ZCWHXQKTARLDOF-AWEZNQCLSA-N 1 0 340.423 3.406 20 70 EGIDRO CCCOc1cccc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000159418061 528763770 /nfs/dbraw/zinc/76/37/70/528763770.db2.gz KYHSOUXHJVRMPV-YJBOKZPZSA-N 1 0 331.460 3.423 20 70 EGIDRO CC(C)[N@H+]1[C@@H]2CC[C@H]1CCN(C(=O)CCc1ccc(F)cc1F)C2 ZINC000159561577 529109011 /nfs/dbraw/zinc/10/90/11/529109011.db2.gz GYUAHWHUVVMPEH-DLBZAZTESA-N 1 0 336.426 3.371 20 70 EGIDRO C[C@@H](CC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccncc1 ZINC000159980480 546942729 /nfs/dbraw/zinc/94/27/29/546942729.db2.gz NOIYGCOLUURMNK-INIZCTEOSA-N 1 0 347.528 3.053 20 70 EGIDRO C[C@@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160743894 546950049 /nfs/dbraw/zinc/95/00/49/546950049.db2.gz BKALTJWGMOKDNB-XPTSAGLGSA-N 1 0 331.243 3.023 20 70 EGIDRO CCC[NH+]1CCC(NCc2cccc(C(=O)N[C@@H](C)CC)c2)CC1 ZINC000161043177 546951992 /nfs/dbraw/zinc/95/19/92/546951992.db2.gz FYJZUXXYYQHNNX-INIZCTEOSA-N 1 0 331.504 3.179 20 70 EGIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc([S@](C)=O)cc1 ZINC000161135346 546953585 /nfs/dbraw/zinc/95/35/85/546953585.db2.gz VFJZAUZJLNUFMW-JCQPUDPBSA-N 1 0 331.437 3.046 20 70 EGIDRO Cc1ccc(-c2nnc([C@H](C)N3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000161362862 546954240 /nfs/dbraw/zinc/95/42/40/546954240.db2.gz RMCLTSQYGHKGJX-INIZCTEOSA-N 1 0 349.438 3.323 20 70 EGIDRO COc1ccc(CN2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Br ZINC000218010561 547240347 /nfs/dbraw/zinc/24/03/47/547240347.db2.gz DPEGKQYXHGEFHP-KGLIPLIRSA-N 1 0 339.277 3.126 20 70 EGIDRO C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000216762511 574917174 /nfs/dbraw/zinc/91/71/74/574917174.db2.gz BKLHPEBUIFQKAC-QRQLOZEOSA-N 1 0 329.488 3.210 20 70 EGIDRO C[N@H+](CCC(=O)Nc1cccc2ccccc21)C[C@H]1CCC[C@@H]1O ZINC000159528826 529871449 /nfs/dbraw/zinc/87/14/49/529871449.db2.gz JLMBDUJQKMFYJI-APWZRJJASA-N 1 0 326.440 3.261 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)C1 ZINC000160684921 532968707 /nfs/dbraw/zinc/96/87/07/532968707.db2.gz MWGNROISTGDDSH-CYBMUJFWSA-N 1 0 329.831 3.200 20 70 EGIDRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@H]([NH3+])C(C)C)s2)cc1 ZINC000160130551 533191462 /nfs/dbraw/zinc/19/14/62/533191462.db2.gz AZGYBRZHOZXERE-IAQYHMDHSA-N 1 0 347.484 3.288 20 70 EGIDRO Cc1cccc(C)c1OCC[NH2+][C@H](C)c1ccc(-n2cnnn2)cc1 ZINC000160279137 140956218 /nfs/dbraw/zinc/95/62/18/140956218.db2.gz YMLHBEHULMXASA-MRXNPFEDSA-N 1 0 337.427 3.009 20 70 EGIDRO C[C@@H](NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)c1cccc(O)c1 ZINC000159774791 225275349 /nfs/dbraw/zinc/27/53/49/225275349.db2.gz DALMKRRJGKMMAJ-NVXWUHKLSA-N 1 0 331.460 3.113 20 70 EGIDRO Cc1ccc(C(=O)N(C)CC(C)(C)CN2CCOCC2)cc1Cl ZINC000159797431 225279792 /nfs/dbraw/zinc/27/97/92/225279792.db2.gz DTIUCAMEZIEKJN-UHFFFAOYSA-N 1 0 338.879 3.079 20 70 EGIDRO O=C(N1CCC([NH2+]CC2CC2)CC1)C1(c2ccccc2)CCCC1 ZINC000159849273 225290958 /nfs/dbraw/zinc/29/09/58/225290958.db2.gz UIIMXDIAZACWCI-UHFFFAOYSA-N 1 0 326.484 3.489 20 70 EGIDRO COc1ccc(C2(CNC(=O)[C@@H]([NH3+])C(C)C)CCCCC2)cc1OC ZINC000160140693 225346534 /nfs/dbraw/zinc/34/65/34/225346534.db2.gz TXXFRKILLIZSLU-SFHVURJKSA-N 1 0 348.487 3.005 20 70 EGIDRO CCOCCC1(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)CCC1 ZINC000160584117 264880799 /nfs/dbraw/zinc/88/07/99/264880799.db2.gz MFCWYGQNMZYSNS-INIZCTEOSA-N 1 0 334.460 3.130 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)CC1 ZINC000161079363 264888313 /nfs/dbraw/zinc/88/83/13/264888313.db2.gz QEXCFHBPSUZPFQ-CQSZACIVSA-N 1 0 338.879 3.264 20 70 EGIDRO Cc1nc2c(s1)[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CCC2 ZINC000161174989 279119390 /nfs/dbraw/zinc/11/93/90/279119390.db2.gz CKMLHMLRDIKTHZ-CQSZACIVSA-N 1 0 345.516 3.369 20 70 EGIDRO Cc1ccc(CCN(CC(F)(F)F)C(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000161250134 280806310 /nfs/dbraw/zinc/80/63/10/280806310.db2.gz CVAGEZOISKGPQX-HNNXBMFYSA-N 1 0 328.378 3.071 20 70 EGIDRO C[C@H](CC(=O)N1C[C@@H](C)OC[C@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000161088797 289420630 /nfs/dbraw/zinc/42/06/30/289420630.db2.gz KHXIZMVVZDUUAV-MDZRGWNJSA-N 1 0 330.472 3.001 20 70 EGIDRO c1ccc([C@@H]2OCCC[C@@H]2C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161355454 304855901 /nfs/dbraw/zinc/85/59/01/304855901.db2.gz YQXBUWKGWVWXSW-MJGOQNOKSA-N 1 0 331.456 3.430 20 70 EGIDRO CC[NH+](CC)CCCNC(=O)N1CCC[C@@H](Nc2ccccc2)C1 ZINC000160660810 307893331 /nfs/dbraw/zinc/89/33/31/307893331.db2.gz FQJNDCZOPKZLAF-GOSISDBHSA-N 1 0 332.492 3.004 20 70 EGIDRO O=C(/C=C/C1CCCCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160743994 307894221 /nfs/dbraw/zinc/89/42/21/307894221.db2.gz SFEOQQDCJZGLLM-MMKWGKFASA-N 1 0 334.504 3.007 20 70 EGIDRO C[NH+](C)Cc1ccc(C(=O)NC2CCN(c3ccccc3)CC2)cc1 ZINC000160930854 307896182 /nfs/dbraw/zinc/89/61/82/307896182.db2.gz KNFMNGOMWHGUTF-UHFFFAOYSA-N 1 0 337.467 3.147 20 70 EGIDRO C[NH+](C)CCN(C(=O)NCC1(c2ccccc2)CC1)C1CCCC1 ZINC000159660653 455393608 /nfs/dbraw/zinc/39/36/08/455393608.db2.gz SRAIFQYKXQZHPO-UHFFFAOYSA-N 1 0 329.488 3.234 20 70 EGIDRO CCN(Cc1cc(F)cc(F)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000159877556 455411265 /nfs/dbraw/zinc/41/12/65/455411265.db2.gz CTLOSKLUURCWFC-UHFFFAOYSA-N 1 0 329.350 3.223 20 70 EGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@H]1OCc1ccccc1 ZINC000159778747 455403788 /nfs/dbraw/zinc/40/37/88/455403788.db2.gz IMHLDAGOWWMNCA-RBUKOAKNSA-N 1 0 347.503 3.106 20 70 EGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000160040123 455424040 /nfs/dbraw/zinc/42/40/40/455424040.db2.gz COAQRUGEBZOYLB-HNNXBMFYSA-N 1 0 344.425 3.052 20 70 EGIDRO C[C@H]1C[C@@H](NC(=O)N(C)C(C2CC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160092721 455428503 /nfs/dbraw/zinc/42/85/03/455428503.db2.gz VVGMWVNZSDKSAH-HNAYVOBHSA-N 1 0 341.499 3.479 20 70 EGIDRO Cc1cccc(C)c1CCNC(=O)C1(c2ccccc2)CC[NH2+]CC1 ZINC000160210382 455438586 /nfs/dbraw/zinc/43/85/86/455438586.db2.gz LZRXOKQJICMYFF-UHFFFAOYSA-N 1 0 336.479 3.284 20 70 EGIDRO CN(Cc1cnc2ccccn12)C1CC[NH+](Cc2ccccc2)CC1 ZINC000160403867 455455242 /nfs/dbraw/zinc/45/52/42/455455242.db2.gz GTBQXAAQSBXQAM-UHFFFAOYSA-N 1 0 334.467 3.431 20 70 EGIDRO CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1 ZINC000160563073 455474860 /nfs/dbraw/zinc/47/48/60/455474860.db2.gz CJGZGLXJZQFVHI-XAUMDUMWSA-N 1 0 330.472 3.203 20 70 EGIDRO CC1CCN(c2ccc(C[NH2+][C@H]3CCCc4c3cnn4C)cn2)CC1 ZINC000160512148 455467614 /nfs/dbraw/zinc/46/76/14/455467614.db2.gz ZBZZBDCPSJRZNK-SFHVURJKSA-N 1 0 339.487 3.219 20 70 EGIDRO CC(C)c1csc(CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000160792163 455498620 /nfs/dbraw/zinc/49/86/20/455498620.db2.gz PSMWLBWERXRNBR-CQSZACIVSA-N 1 0 338.521 3.330 20 70 EGIDRO COCCOc1cccc(C[N@H+](C)Cc2ccc(OC)cc2OC)c1 ZINC000160829854 455502628 /nfs/dbraw/zinc/50/26/28/455502628.db2.gz PWAVSAKAFMOCQQ-UHFFFAOYSA-N 1 0 345.439 3.361 20 70 EGIDRO CC[C@@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000159447585 455377181 /nfs/dbraw/zinc/37/71/81/455377181.db2.gz WWEAOACRLSOMMX-MLGOLLRUSA-N 1 0 325.403 3.057 20 70 EGIDRO Cc1ccccc1[C@@H]1C[C@@H](C)N(C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000159446310 455377286 /nfs/dbraw/zinc/37/72/86/455377286.db2.gz JEVFBODVLPRSIT-FGTMMUONSA-N 1 0 329.488 3.224 20 70 EGIDRO CCC[C@H]1CN(C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000159565809 455386103 /nfs/dbraw/zinc/38/61/03/455386103.db2.gz XURPQVQOYYPXAX-OALUTQOASA-N 1 0 345.487 3.034 20 70 EGIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000160002532 455421153 /nfs/dbraw/zinc/42/11/53/455421153.db2.gz YIUUPSKTHRKVBJ-YJBOKZPZSA-N 1 0 348.535 3.393 20 70 EGIDRO CSCC[C@H]([NH3+])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000160083429 455427670 /nfs/dbraw/zinc/42/76/70/455427670.db2.gz WKONDQUEOKSILT-RYUDHWBXSA-N 1 0 333.284 3.177 20 70 EGIDRO CC[C@@H](C)[N@H+](C)CCN[C@@H](C)c1nnn(-c2ccc(F)cc2)c1C ZINC000160115379 455429385 /nfs/dbraw/zinc/42/93/85/455429385.db2.gz RKGCMBPNZZZODZ-KGLIPLIRSA-N 1 0 333.455 3.096 20 70 EGIDRO CC[C@@H](C)N(C)CC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000160140977 455431924 /nfs/dbraw/zinc/43/19/24/455431924.db2.gz CLXFSKXRZABNIL-LSWWBPAMSA-N 1 0 329.488 3.139 20 70 EGIDRO COc1ccccc1-c1nnc(C[N@H+](C[C@H](C)O)C2CCCCC2)o1 ZINC000160314510 455447359 /nfs/dbraw/zinc/44/73/59/455447359.db2.gz BZCAGKWEEVBTFD-AWEZNQCLSA-N 1 0 345.443 3.261 20 70 EGIDRO C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)c1 ZINC000160326509 455448239 /nfs/dbraw/zinc/44/82/39/455448239.db2.gz JFODAMLTFWEAFW-SFHVURJKSA-N 1 0 330.472 3.360 20 70 EGIDRO C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000160409711 455456063 /nfs/dbraw/zinc/45/60/63/455456063.db2.gz PSEHYNSCZZXDER-ZWKOTPCHSA-N 1 0 326.488 3.421 20 70 EGIDRO CC(C)(C)n1ncc2c1ncnc2N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000160458081 455461003 /nfs/dbraw/zinc/46/10/03/455461003.db2.gz OQDGKKQVPCLIDS-OAHLLOKOSA-N 1 0 342.491 3.036 20 70 EGIDRO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000160471613 455463837 /nfs/dbraw/zinc/46/38/37/455463837.db2.gz CTKUOONNHMICDG-AWEZNQCLSA-N 1 0 331.387 3.398 20 70 EGIDRO O=C(N[C@@H]1CCC[C@H]1Cc1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160485292 455465419 /nfs/dbraw/zinc/46/54/19/455465419.db2.gz WKOIKWKIUGIAOH-SLFFLAALSA-N 1 0 341.499 3.278 20 70 EGIDRO C[C@H]([NH2+]CCSc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000160525580 455469596 /nfs/dbraw/zinc/46/95/96/455469596.db2.gz SUPBOIJVRMDZNC-AWEZNQCLSA-N 1 0 325.441 3.105 20 70 EGIDRO CCOc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)ccc1OC ZINC000160537435 455472147 /nfs/dbraw/zinc/47/21/47/455472147.db2.gz MRDIWXNVCNQPDH-UHFFFAOYSA-N 1 0 328.412 3.408 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)c2cnn(-c3ccc(Cl)cc3)c2C(C)C)C1 ZINC000160569651 455475602 /nfs/dbraw/zinc/47/56/02/455475602.db2.gz TWENIPGKRWTKNL-CQSZACIVSA-N 1 0 346.862 3.083 20 70 EGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000160588695 455477378 /nfs/dbraw/zinc/47/73/78/455477378.db2.gz YMTHZAPYCOJKFE-CYBMUJFWSA-N 1 0 326.444 3.084 20 70 EGIDRO CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160642076 455483054 /nfs/dbraw/zinc/48/30/54/455483054.db2.gz QHNQJYCITRCPPB-VQIMIIECSA-N 1 0 329.488 3.481 20 70 EGIDRO Cc1cncc(/C=C/C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000160876072 455507356 /nfs/dbraw/zinc/50/73/56/455507356.db2.gz BYQPXYOTVNHJHQ-SQUSKLHYSA-N 1 0 335.451 3.357 20 70 EGIDRO Cc1cncc(/C=C/C(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)c1 ZINC000160875954 455507836 /nfs/dbraw/zinc/50/78/36/455507836.db2.gz BYQPXYOTVNHJHQ-XTXLJPNXSA-N 1 0 335.451 3.357 20 70 EGIDRO CC[C@@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1F ZINC000160908779 455512283 /nfs/dbraw/zinc/51/22/83/455512283.db2.gz JSFVBOCMUSQGKH-CHWSQXEVSA-N 1 0 336.304 3.169 20 70 EGIDRO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](CC4CC4)CC3)o2)cc1C ZINC000160925567 455513835 /nfs/dbraw/zinc/51/38/35/455513835.db2.gz CTYRUYQAMAVJKU-INIZCTEOSA-N 1 0 340.471 3.442 20 70 EGIDRO C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)COCc1ccccc1 ZINC000160950060 455517033 /nfs/dbraw/zinc/51/70/33/455517033.db2.gz LBNIXSWQSBRLCL-QGZVFWFLSA-N 1 0 340.467 3.331 20 70 EGIDRO CC[C@H](C)[NH+]1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000160969051 455519035 /nfs/dbraw/zinc/51/90/35/455519035.db2.gz JKFZOYBVWNEJOG-NSHDSACASA-N 1 0 343.240 3.145 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H]1C[C@@H](C)c2c1cccc2Br ZINC000160977750 455520105 /nfs/dbraw/zinc/52/01/05/455520105.db2.gz VKRFVIAIJQBDRL-MFKMUULPSA-N 1 0 325.250 3.112 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)CCOc2ccc(F)cc2Cl)CC1 ZINC000161083485 455531068 /nfs/dbraw/zinc/53/10/68/455531068.db2.gz VYJXHBRCHJVVBK-UHFFFAOYSA-N 1 0 342.842 3.096 20 70 EGIDRO COc1cccc([C@@H](CNC(=O)c2cccn2C(C)C)[NH+](C)C)c1 ZINC000161085158 455531456 /nfs/dbraw/zinc/53/14/56/455531456.db2.gz SZVKHOUCDPPUKF-GOSISDBHSA-N 1 0 329.444 3.110 20 70 EGIDRO COc1ccc(COCCC[NH2+][C@@H]2CCCc3c2cnn3C)cc1 ZINC000161105658 455534118 /nfs/dbraw/zinc/53/41/18/455534118.db2.gz FUJSXFWGJKXBSX-GOSISDBHSA-N 1 0 329.444 3.003 20 70 EGIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000161107967 455535031 /nfs/dbraw/zinc/53/50/31/455535031.db2.gz CJQXKJIKEBPTLQ-UXPWSPDFSA-N 1 0 326.488 3.455 20 70 EGIDRO Cc1ccc(C(=O)N2CCC(C[NH+](C)C)CC2)c(Br)c1 ZINC000161141840 455539499 /nfs/dbraw/zinc/53/94/99/455539499.db2.gz MPQIEYGMXHJXKA-UHFFFAOYSA-N 1 0 339.277 3.171 20 70 EGIDRO CC(C)(C)C(=O)N1CCC(C[N@H+](Cc2cccnc2)C2CC2)CC1 ZINC000161158181 455541249 /nfs/dbraw/zinc/54/12/49/455541249.db2.gz GQFHNRCSEPLYOW-UHFFFAOYSA-N 1 0 329.488 3.331 20 70 EGIDRO Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C)c(Br)c1 ZINC000161177051 455544529 /nfs/dbraw/zinc/54/45/29/455544529.db2.gz VXKUEZMJBJUPRO-OLZOCXBDSA-N 1 0 337.261 3.066 20 70 EGIDRO CCn1cc([C@H](C)[NH2+][C@H](C)c2ccc(OCCOC)c(OC)c2)cn1 ZINC000161192536 455546421 /nfs/dbraw/zinc/54/64/21/455546421.db2.gz XMAZIXBCJBCCNT-CABCVRRESA-N 1 0 347.459 3.349 20 70 EGIDRO CCN(CC)[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000161210370 455548345 /nfs/dbraw/zinc/54/83/45/455548345.db2.gz MDGBTVZZDCEUOD-SOAGJPPSSA-N 1 0 331.504 3.106 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000161208876 455548836 /nfs/dbraw/zinc/54/88/36/455548836.db2.gz SMSHOCXYVUUDBD-KRWDZBQOSA-N 1 0 343.475 3.354 20 70 EGIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1cn2cccnc2n1 ZINC000161234695 455551340 /nfs/dbraw/zinc/55/13/40/455551340.db2.gz KNZMXMQQJIFMMU-UHFFFAOYSA-N 1 0 346.438 3.184 20 70 EGIDRO CC[NH+](CC)[C@H](CNC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000161256592 455553025 /nfs/dbraw/zinc/55/30/25/455553025.db2.gz LEMHPRJQMKYTRR-ZWKOTPCHSA-N 1 0 347.503 3.326 20 70 EGIDRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)c21 ZINC000161325566 455559046 /nfs/dbraw/zinc/55/90/46/455559046.db2.gz XEIZXWZZMCIYHZ-CHWSQXEVSA-N 1 0 342.443 3.223 20 70 EGIDRO O=C(CSc1nccc2ccccc21)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161337106 455559891 /nfs/dbraw/zinc/55/98/91/455559891.db2.gz TYUFXTROCZGXAY-INIZCTEOSA-N 1 0 341.480 3.024 20 70 EGIDRO FC(F)Oc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161394149 455565643 /nfs/dbraw/zinc/56/56/43/455565643.db2.gz DEDSJVYXSGTFAS-CQSZACIVSA-N 1 0 348.397 3.205 20 70 EGIDRO COc1ccc(CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)cc1Cl ZINC000161493154 455575620 /nfs/dbraw/zinc/57/56/20/455575620.db2.gz RMQNYWYDRCFISH-SJCJKPOMSA-N 1 0 332.831 3.301 20 70 EGIDRO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217144080 456031041 /nfs/dbraw/zinc/03/10/41/456031041.db2.gz XBTYHBAPYOIULI-RVKKMQEKSA-N 1 0 330.472 3.389 20 70 EGIDRO Cc1ccc(CCNC(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000217224238 456032852 /nfs/dbraw/zinc/03/28/52/456032852.db2.gz JSUBESJSPGWWTK-GOSISDBHSA-N 1 0 331.504 3.349 20 70 EGIDRO Fc1ccc(Br)cc1CN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217640493 456033641 /nfs/dbraw/zinc/03/36/41/456033641.db2.gz WFVQWKTUJDWHDE-GJZGRUSLSA-N 1 0 327.241 3.305 20 70 EGIDRO C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(=O)n2C)cc1 ZINC000159916940 534163148 /nfs/dbraw/zinc/16/31/48/534163148.db2.gz ULWWZQDRZDPCGG-OAHLLOKOSA-N 1 0 339.439 3.012 20 70 EGIDRO Cc1ccc(-c2cnc(CCC(=O)NCC3([NH3+])CCCCC3)o2)cc1 ZINC000159457371 534193841 /nfs/dbraw/zinc/19/38/41/534193841.db2.gz MSIKZEYKXAPFNO-UHFFFAOYSA-N 1 0 341.455 3.360 20 70 EGIDRO Cc1ccc(-c2noc(CCC[N@@H+](C)C[C@H]3CCC[C@@H]3O)n2)cc1F ZINC000159510382 534231188 /nfs/dbraw/zinc/23/11/88/534231188.db2.gz WSCZOMMACIAVPK-WBVHZDCISA-N 1 0 347.434 3.210 20 70 EGIDRO CC(C)c1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cn1 ZINC000159924409 528070813 /nfs/dbraw/zinc/07/08/13/528070813.db2.gz GMICUSXVQUABOL-KRWDZBQOSA-N 1 0 327.428 3.365 20 70 EGIDRO CC(C)c1nn(C)c2sc(C(=O)NCC3([NH3+])CCCCC3)cc12 ZINC000159641868 528391857 /nfs/dbraw/zinc/39/18/57/528391857.db2.gz IJUSFGIQYFHLDI-UHFFFAOYSA-N 1 0 334.489 3.150 20 70 EGIDRO CCc1cccc(C)c1NC(=O)C[NH2+]CC(CC)(CC)C(=O)OC ZINC000159650940 529156426 /nfs/dbraw/zinc/15/64/26/529156426.db2.gz SGXPAXIHZAZMGQ-UHFFFAOYSA-N 1 0 334.460 3.065 20 70 EGIDRO Cn1ncc2c1CCC[C@@H]2[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160555950 537706074 /nfs/dbraw/zinc/70/60/74/537706074.db2.gz QEAMEVBSWFPZQT-SFHVURJKSA-N 1 0 339.487 3.363 20 70 EGIDRO CCN(Cc1ccoc1)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160251120 546945255 /nfs/dbraw/zinc/94/52/55/546945255.db2.gz WSLJBOLOKMZRRS-QFBILLFUSA-N 1 0 341.455 3.474 20 70 EGIDRO C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000160608615 546948806 /nfs/dbraw/zinc/94/88/06/546948806.db2.gz GCPRNWJOBUBULT-YLJYHZDGSA-N 1 0 337.467 3.356 20 70 EGIDRO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)NC1CCCCC1 ZINC000216718312 574770408 /nfs/dbraw/zinc/77/04/08/574770408.db2.gz JAZVOXZTTCFKDN-CQSZACIVSA-N 1 0 332.444 3.075 20 70 EGIDRO c1ccc(OCCC[NH2+][C@H](CN2CCOCC2)c2ccccc2)cc1 ZINC000216771417 574808777 /nfs/dbraw/zinc/80/87/77/574808777.db2.gz CJYPLOWXNCONIL-OAQYLSRUSA-N 1 0 340.467 3.119 20 70 EGIDRO CCc1cccc(NC(=O)CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000216733561 574808819 /nfs/dbraw/zinc/80/88/19/574808819.db2.gz FJIQQTKYFSTISK-HXUWFJFHSA-N 1 0 337.467 3.176 20 70 EGIDRO C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCOC3(CCCCC3)C2)cc1 ZINC000160338210 282147301 /nfs/dbraw/zinc/14/73/01/282147301.db2.gz PIOULAXJXPJHDD-SFHVURJKSA-N 1 0 330.472 3.360 20 70 EGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[C@H]1C1CCCCC1 ZINC000160471162 283933947 /nfs/dbraw/zinc/93/39/47/283933947.db2.gz HFPWCISWNPNPAI-HAGHYFMRSA-N 1 0 348.531 3.087 20 70 EGIDRO COc1cccc(CCC[NH+]2CCN(Cc3c(C)noc3C)CC2)c1 ZINC000159712067 225263747 /nfs/dbraw/zinc/26/37/47/225263747.db2.gz WRNGEQWGFKLYHT-UHFFFAOYSA-N 1 0 343.471 3.050 20 70 EGIDRO Cc1ccc(C(=O)CCN2CCN([C@H](C)c3cccnc3)CC2)cc1 ZINC000159800725 225279407 /nfs/dbraw/zinc/27/94/07/225279407.db2.gz DBRDWZDQISTRLH-GOSISDBHSA-N 1 0 337.467 3.342 20 70 EGIDRO COCCC1(CNC(=O)NC[C@H](C)[N@H+](C)Cc2ccccc2)CCC1 ZINC000160067735 225330432 /nfs/dbraw/zinc/33/04/32/225330432.db2.gz RZJHAXNTZZTVTI-KRWDZBQOSA-N 1 0 347.503 3.013 20 70 EGIDRO O=C(NCc1cccc(C[NH+]2CCCC2)c1)N1CCC2(CCC2)C1 ZINC000160130803 225345201 /nfs/dbraw/zinc/34/52/01/225345201.db2.gz IEXLKMFVJPTUAN-UHFFFAOYSA-N 1 0 327.472 3.368 20 70 EGIDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](CCO)c1ccccc1 ZINC000160967435 292631456 /nfs/dbraw/zinc/63/14/56/292631456.db2.gz PWNYBDOGDZRQOW-VQTJNVASSA-N 1 0 331.431 3.487 20 70 EGIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@H](C)C2)CC1 ZINC000161208521 290274123 /nfs/dbraw/zinc/27/41/23/290274123.db2.gz RCHZRQKUTPLULA-JKSUJKDBSA-N 1 0 330.476 3.049 20 70 EGIDRO CCCOc1ccc(CNC(=O)[C@H](CC)[NH+](C)C)c(OC(F)F)c1 ZINC000159380338 307873021 /nfs/dbraw/zinc/87/30/21/307873021.db2.gz MFPOSBFUOWYDIB-AWEZNQCLSA-N 1 0 344.402 3.033 20 70 EGIDRO COc1cc(C2(C(=O)NC[C@H](CC(C)C)[NH+](C)C)CC2)ccc1C ZINC000160347413 307888251 /nfs/dbraw/zinc/88/82/51/307888251.db2.gz JSTSQNFQHGKBLK-KRWDZBQOSA-N 1 0 332.488 3.128 20 70 EGIDRO Cc1cc(CCC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000161003149 455521945 /nfs/dbraw/zinc/52/19/45/455521945.db2.gz DVHIDSYKHMCLHE-UONOGXRCSA-N 1 0 339.277 3.076 20 70 EGIDRO Cc1ccc(C(=O)CCC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159672771 455394337 /nfs/dbraw/zinc/39/43/37/455394337.db2.gz LTDGSBZSSPYPOJ-UHFFFAOYSA-N 1 0 330.472 3.387 20 70 EGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N1CCc2[nH]c3ccccc3c2C1 ZINC000159577620 455387093 /nfs/dbraw/zinc/38/70/93/455387093.db2.gz XTXDWDWWCUJGKQ-YWZLYKJASA-N 1 0 337.467 3.317 20 70 EGIDRO CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159747352 455400364 /nfs/dbraw/zinc/40/03/64/455400364.db2.gz YIIISMFMVLMORV-WBAXXEDZSA-N 1 0 332.488 3.231 20 70 EGIDRO C[C@H](C(=O)NCc1ccc(F)cc1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159783092 455403473 /nfs/dbraw/zinc/40/34/73/455403473.db2.gz FOPVPSCQFCXDMH-OAHLLOKOSA-N 1 0 343.446 3.028 20 70 EGIDRO C[C@H]([NH2+]CCc1ccc(Cl)s1)c1ccc(-n2cnnn2)cc1 ZINC000160381753 455452359 /nfs/dbraw/zinc/45/23/59/455452359.db2.gz SNOBQZBBIQRBFP-NSHDSACASA-N 1 0 333.848 3.271 20 70 EGIDRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000160378307 455453231 /nfs/dbraw/zinc/45/32/31/455453231.db2.gz LTWLUMJHAWEFAN-HFTRVMKXSA-N 1 0 334.891 3.461 20 70 EGIDRO CCSc1ccccc1[C@H](C)[NH2+]C1CCN(CC(=O)N(C)C)CC1 ZINC000160387104 455454021 /nfs/dbraw/zinc/45/40/21/455454021.db2.gz KMWYVBQEHWNZHC-HNNXBMFYSA-N 1 0 349.544 3.002 20 70 EGIDRO O=C(C[NH2+][C@@H]1CCSc2ccc(Cl)cc21)NCC(F)(F)F ZINC000160562090 455474823 /nfs/dbraw/zinc/47/48/23/455474823.db2.gz GHHKZEBNIZMQDR-SNVBAGLBSA-N 1 0 338.782 3.145 20 70 EGIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1 ZINC000160758356 455495971 /nfs/dbraw/zinc/49/59/71/455495971.db2.gz TVEWTTHWOYLPME-MOPGFXCFSA-N 1 0 347.503 3.136 20 70 EGIDRO CN(Cc1cccc(Cl)c1Cl)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000160780212 455498134 /nfs/dbraw/zinc/49/81/34/455498134.db2.gz OTXGGUBATFSSRV-GFCCVEGCSA-N 1 0 347.311 3.389 20 70 EGIDRO C[C@H]([NH2+]C(C)(C)CNC(=O)c1cccc2[nH]cnc21)c1ccccc1 ZINC000159397177 455374329 /nfs/dbraw/zinc/37/43/29/455374329.db2.gz QABWRTPPDCHGCM-AWEZNQCLSA-N 1 0 336.439 3.422 20 70 EGIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000159404350 455375633 /nfs/dbraw/zinc/37/56/33/455375633.db2.gz FCBUOTBWDAIJEB-GJZGRUSLSA-N 1 0 344.480 3.477 20 70 EGIDRO CC(C)(C)C1CCC(c2cc(NC(=O)C[C@@H]3C[NH2+]CCO3)n[nH]2)CC1 ZINC000159475273 455379551 /nfs/dbraw/zinc/37/95/51/455379551.db2.gz WYVVWHHYRVEFDN-YMAMQOFZSA-N 1 0 348.491 3.047 20 70 EGIDRO C[C@H](CCn1cccn1)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000159493685 455380125 /nfs/dbraw/zinc/38/01/25/455380125.db2.gz JEOUJAHLOZKWHK-ZIAGYGMSSA-N 1 0 336.842 3.323 20 70 EGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccccc1N1CCCC1=O ZINC000159599622 455387918 /nfs/dbraw/zinc/38/79/18/455387918.db2.gz ZVGPCMMVUAFHKI-RDJZCZTQSA-N 1 0 341.455 3.016 20 70 EGIDRO COc1cccc(C[N@H+](CCOCC2CC2)C2CCC(O)CC2)c1 ZINC000160203036 455437423 /nfs/dbraw/zinc/43/74/23/455437423.db2.gz WVTIBPRCFONTDF-UHFFFAOYSA-N 1 0 333.472 3.227 20 70 EGIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000160234868 455440846 /nfs/dbraw/zinc/44/08/46/455440846.db2.gz RQCMWXDPXLBNDN-LLVKDONJSA-N 1 0 340.267 3.288 20 70 EGIDRO COc1ccccc1[C@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000160375744 455451482 /nfs/dbraw/zinc/45/14/82/455451482.db2.gz FMHQNQVZONDEMF-HKUYNNGSSA-N 1 0 338.451 3.491 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1sc(C(C)(C)C)nc1C)CC2 ZINC000160498091 455466689 /nfs/dbraw/zinc/46/66/89/455466689.db2.gz HPBDJMYZWQBWQK-MFKMUULPSA-N 1 0 333.505 3.315 20 70 EGIDRO CCc1cc(=O)[nH]c(CN(C)Cc2ccc(Br)cc2)n1 ZINC000160525586 455469489 /nfs/dbraw/zinc/46/94/89/455469489.db2.gz UCZIMZQGPAUGCD-UHFFFAOYSA-N 1 0 336.233 3.139 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)F ZINC000160540749 455472061 /nfs/dbraw/zinc/47/20/61/455472061.db2.gz LNBYOMRKPBGFAO-QWHCGFSZSA-N 1 0 326.387 3.025 20 70 EGIDRO CCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1OCC ZINC000160556252 455473589 /nfs/dbraw/zinc/47/35/89/455473589.db2.gz XXCVRVSEPXAJSB-CZUORRHYSA-N 1 0 344.459 3.050 20 70 EGIDRO Cc1cccc2c(CCC(=O)NCC[N@H+]3CCC[C@H](C)C3)c[nH]c21 ZINC000160586698 455477412 /nfs/dbraw/zinc/47/74/12/455477412.db2.gz HVWPQLSTKPKWAW-HNNXBMFYSA-N 1 0 327.472 3.257 20 70 EGIDRO O=S(=O)(CC[NH2+][C@@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000160590292 455478121 /nfs/dbraw/zinc/47/81/21/455478121.db2.gz GWHYNNBSCGXEOA-GOSISDBHSA-N 1 0 333.428 3.267 20 70 EGIDRO CCOCCCNC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000160665771 455485534 /nfs/dbraw/zinc/48/55/34/455485534.db2.gz NPWJNADVWOCTOH-KRWDZBQOSA-N 1 0 339.524 3.099 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NC[C@@H](c1cccc(F)c1)[NH+](C)C ZINC000160715647 455491245 /nfs/dbraw/zinc/49/12/45/455491245.db2.gz UQPQRKVRVMSEHX-SFHVURJKSA-N 1 0 346.450 3.416 20 70 EGIDRO C[C@H]1C[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000160806539 455500905 /nfs/dbraw/zinc/50/09/05/455500905.db2.gz GAZNWNMPIMPHEJ-BBRMVZONSA-N 1 0 335.879 3.274 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C2(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000160816639 455501477 /nfs/dbraw/zinc/50/14/77/455501477.db2.gz LPIGWZCSEWOQFB-KGLIPLIRSA-N 1 0 326.362 3.123 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H](C)c1cccc(OCc2ccccc2)c1 ZINC000160905477 455511543 /nfs/dbraw/zinc/51/15/43/455511543.db2.gz KNOKTCJPCAKAKF-MRXNPFEDSA-N 1 0 326.440 3.441 20 70 EGIDRO C[C@H](NCc1ccccc1CS(C)(=O)=O)c1cccnc1Cl ZINC000160936133 455515428 /nfs/dbraw/zinc/51/54/28/455515428.db2.gz BCWBOZPKJJKCHB-LBPRGKRZSA-N 1 0 338.860 3.130 20 70 EGIDRO CC(=O)Nc1cccc(NC(=O)NC[C@@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000160944848 455516559 /nfs/dbraw/zinc/51/65/59/455516559.db2.gz ZTXARFYYWDCPSL-SFHVURJKSA-N 1 0 346.475 3.277 20 70 EGIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1 ZINC000160951792 455517768 /nfs/dbraw/zinc/51/77/68/455517768.db2.gz DBLZBCGXMLGLKF-CLCXKQKWSA-N 1 0 330.472 3.214 20 70 EGIDRO Cc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160970065 455519599 /nfs/dbraw/zinc/51/95/99/455519599.db2.gz BQLCSOPKBKLKOM-SJORKVTESA-N 1 0 336.435 3.226 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)cc2C)cc1 ZINC000160997688 455522633 /nfs/dbraw/zinc/52/26/33/455522633.db2.gz PUSFVMABCSAUOU-INIZCTEOSA-N 1 0 326.440 3.279 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000161009498 455522999 /nfs/dbraw/zinc/52/29/99/455522999.db2.gz IJESLZHWSWYQFG-STQMWFEESA-N 1 0 335.860 3.463 20 70 EGIDRO CC(C)Cc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000161098352 455533083 /nfs/dbraw/zinc/53/30/83/455533083.db2.gz MLHSYFGKBXXFJN-ROUUACIJSA-N 1 0 330.472 3.234 20 70 EGIDRO C[C@@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)c2ccc(F)cc2O1 ZINC000161102522 455533939 /nfs/dbraw/zinc/53/39/39/455533939.db2.gz FBSJYSKQEDQHOD-CZUORRHYSA-N 1 0 328.387 3.420 20 70 EGIDRO COCCC[NH+]1CCC(NC(=O)c2[nH]c3ccc(C)cc3c2C)CC1 ZINC000161183919 455545544 /nfs/dbraw/zinc/54/55/44/455545544.db2.gz GUWCHGXKVVHBIJ-UHFFFAOYSA-N 1 0 343.471 3.015 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@H]2O)cc1 ZINC000161234137 455551245 /nfs/dbraw/zinc/55/12/45/455551245.db2.gz SLGJYXPXLKDPCC-SJORKVTESA-N 1 0 334.460 3.073 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(-c2cccc(Cl)c2)n1 ZINC000161248425 455552083 /nfs/dbraw/zinc/55/20/83/455552083.db2.gz MNSPZEJPHASAET-CYBMUJFWSA-N 1 0 335.860 3.288 20 70 EGIDRO C(CN1CCC[C@H](c2nnc3n2CCCCC3)C1)C[NH+]1CCCCC1 ZINC000161267404 455553987 /nfs/dbraw/zinc/55/39/87/455553987.db2.gz ZBHATQOYMPICQV-SFHVURJKSA-N 1 0 345.535 3.060 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000161268496 455554186 /nfs/dbraw/zinc/55/41/86/455554186.db2.gz XPGSUTHQZSEQOG-QZTJIDSGSA-N 1 0 342.414 3.404 20 70 EGIDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc2c(c1)OCCO2 ZINC000161314445 455558043 /nfs/dbraw/zinc/55/80/43/455558043.db2.gz ICLHWHOMAYQNKN-ZWKOTPCHSA-N 1 0 343.423 3.241 20 70 EGIDRO O=C(CSc1nccc2ccccc21)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161337230 455560311 /nfs/dbraw/zinc/56/03/11/455560311.db2.gz TYUFXTROCZGXAY-MRXNPFEDSA-N 1 0 341.480 3.024 20 70 EGIDRO CO[C@@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000161358907 455562943 /nfs/dbraw/zinc/56/29/43/455562943.db2.gz NGVDNZPCSXFRHS-VQTJNVASSA-N 1 0 338.451 3.327 20 70 EGIDRO CC(C)Oc1ccc(CC[C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000161368487 455563953 /nfs/dbraw/zinc/56/39/53/455563953.db2.gz NOOUKAFRZUCEFL-OXQOHEQNSA-N 1 0 332.488 3.301 20 70 EGIDRO CO[C@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000161412265 455567517 /nfs/dbraw/zinc/56/75/17/455567517.db2.gz HFYVJPJHPKWDOK-CXAGYDPISA-N 1 0 338.879 3.170 20 70 EGIDRO CO[C@@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000161409555 455567849 /nfs/dbraw/zinc/56/78/49/455567849.db2.gz LPBRSOGGPFAHPJ-BVGQSLNGSA-N 1 0 346.858 3.480 20 70 EGIDRO C[C@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc2c(c1)OCO2 ZINC000161430723 455569864 /nfs/dbraw/zinc/56/98/64/455569864.db2.gz FLMLUORMFQBFIE-AWEZNQCLSA-N 1 0 346.471 3.351 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCCOc2cccc3cccnc32)CC1 ZINC000161437245 455570340 /nfs/dbraw/zinc/57/03/40/455570340.db2.gz ZUCPBRODAVGPPH-UHFFFAOYSA-N 1 0 341.455 3.041 20 70 EGIDRO c1cnc2c(c1)cccc2OCCC[NH2+]C1CCC2(CC1)OCCO2 ZINC000161437378 455570546 /nfs/dbraw/zinc/57/05/46/455570546.db2.gz QHLQUBPTDOBDJW-UHFFFAOYSA-N 1 0 342.439 3.279 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2cccc(C)c2)c1 ZINC000161492688 455574825 /nfs/dbraw/zinc/57/48/25/455574825.db2.gz NABSYGALVYTPLB-CABCVRRESA-N 1 0 332.469 3.315 20 70 EGIDRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161500906 455575271 /nfs/dbraw/zinc/57/52/71/455575271.db2.gz WWFGTDUBUSTUBZ-GARJFASQSA-N 1 0 331.243 3.147 20 70 EGIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)[C@@H](C)C3(C)CC3)c2c1 ZINC000161495283 455575325 /nfs/dbraw/zinc/57/53/25/455575325.db2.gz KZLUSLFXBJBTMG-LBPRGKRZSA-N 1 0 328.412 3.258 20 70 EGIDRO Cc1nc(Cl)ccc1C(=O)NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000159657968 534429640 /nfs/dbraw/zinc/42/96/40/534429640.db2.gz VBPRXGGLSQBYHL-OAHLLOKOSA-N 1 0 335.810 3.215 20 70 EGIDRO CC(=O)NC1CCC(Nc2cccc(C[NH+]3CCSCC3)c2)CC1 ZINC000161159484 526702351 /nfs/dbraw/zinc/70/23/51/526702351.db2.gz JLVHQUXTWJEESR-UHFFFAOYSA-N 1 0 347.528 3.095 20 70 EGIDRO Cc1noc(C)c1N(C)C(=O)Nc1ccc(C)cc1OCC[NH+](C)C ZINC000161061848 546952154 /nfs/dbraw/zinc/95/21/54/546952154.db2.gz STFIMYLJRGLXHE-UHFFFAOYSA-N 1 0 346.431 3.209 20 70 EGIDRO Cc1ccc(-c2nnc([C@@H](C)N3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000161362733 546954823 /nfs/dbraw/zinc/95/48/23/546954823.db2.gz RMCLTSQYGHKGJX-MRXNPFEDSA-N 1 0 349.438 3.323 20 70 EGIDRO O[C@@H](Cc1ccccc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000218709108 547240675 /nfs/dbraw/zinc/24/06/75/547240675.db2.gz OHUUEZMVZHBORZ-FQEVSTJZSA-N 1 0 344.886 3.061 20 70 EGIDRO CCCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159594913 282910389 /nfs/dbraw/zinc/91/03/89/282910389.db2.gz NAMPFDZHSSQIPO-HOCLYGCPSA-N 1 0 327.490 3.336 20 70 EGIDRO COCCC1(C(=O)NC[C@H](c2cccs2)[NH+]2CCCC2)CCC1 ZINC000159670319 284855954 /nfs/dbraw/zinc/85/59/54/284855954.db2.gz QFPPDSDHBOMNNN-OAHLLOKOSA-N 1 0 336.501 3.208 20 70 EGIDRO COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCC[NH3+])s2)cc1 ZINC000160131744 533191125 /nfs/dbraw/zinc/19/11/25/533191125.db2.gz GUAOJKQYXFQOLJ-NSHDSACASA-N 1 0 333.457 3.043 20 70 EGIDRO Cc1cnn([C@@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc[nH]c1 ZINC000159744297 225271173 /nfs/dbraw/zinc/27/11/73/225271173.db2.gz LHVZIFHDVIXPEL-GOSISDBHSA-N 1 0 349.438 3.219 20 70 EGIDRO Cc1nc(-c2ccco2)ccc1C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159761047 225273014 /nfs/dbraw/zinc/27/30/14/225273014.db2.gz KDFLNAXTYJMQLU-UHFFFAOYSA-N 1 0 339.439 3.254 20 70 EGIDRO C[C@H](COc1ccc(F)cc1F)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161356218 225610773 /nfs/dbraw/zinc/61/07/73/225610773.db2.gz QULLKZUZZCIZRY-GFCCVEGCSA-N 1 0 327.371 3.007 20 70 EGIDRO CC[C@H](C)[N@H+](C)CCNCc1cc(Br)ccc1OC ZINC000217379757 266194680 /nfs/dbraw/zinc/19/46/80/266194680.db2.gz BRXFKPLZNRNMMI-LBPRGKRZSA-N 1 0 329.282 3.278 20 70 EGIDRO CC(C)C[C@H](CNC(=O)Cc1csc(-c2ccoc2)n1)[NH+](C)C ZINC000160045024 279148529 /nfs/dbraw/zinc/14/85/29/279148529.db2.gz VJVDRJXWSYXGRG-OAHLLOKOSA-N 1 0 335.473 3.038 20 70 EGIDRO CCOc1cc(Cl)ccc1CNC(=O)NC1CC[NH+](CC)CC1 ZINC000159578380 307875940 /nfs/dbraw/zinc/87/59/40/307875940.db2.gz KURATOIVKGRETO-UHFFFAOYSA-N 1 0 339.867 3.022 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000159899716 307881823 /nfs/dbraw/zinc/88/18/23/307881823.db2.gz NAPVZAMLHIEGNR-OAHLLOKOSA-N 1 0 335.496 3.235 20 70 EGIDRO COCc1ccc(C[NH+]2CCN(c3cccc(OC)c3)CC2)cc1 ZINC000160686311 307893584 /nfs/dbraw/zinc/89/35/84/307893584.db2.gz PHCDNUHZQHORJE-UHFFFAOYSA-N 1 0 326.440 3.164 20 70 EGIDRO CO[C@H](C(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000161358766 307901848 /nfs/dbraw/zinc/90/18/48/307901848.db2.gz NGVDNZPCSXFRHS-PMACEKPBSA-N 1 0 338.451 3.327 20 70 EGIDRO COC[C@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)C(C)C ZINC000159577463 455387300 /nfs/dbraw/zinc/38/73/00/455387300.db2.gz ADCATKKEVBHTLV-PMACEKPBSA-N 1 0 340.467 3.497 20 70 EGIDRO CCCCn1ncc(NC(=O)NCC[N@H+](C)Cc2ccccc2)c1C ZINC000159609674 455389568 /nfs/dbraw/zinc/38/95/68/455389568.db2.gz XAUZUWXPWIVKRS-UHFFFAOYSA-N 1 0 343.475 3.245 20 70 EGIDRO [NH3+][C@H](C(=O)N[C@@H](Cc1ccccc1)C1CC1)c1cccc(Cl)c1 ZINC000159827323 455408209 /nfs/dbraw/zinc/40/82/09/455408209.db2.gz BADUUYZUZMUEPQ-ROUUACIJSA-N 1 0 328.843 3.477 20 70 EGIDRO COC[C@@H]([NH2+]Cc1ccc(OCc2ccncc2)c(OC)c1)C1CC1 ZINC000159867845 455410922 /nfs/dbraw/zinc/41/09/22/455410922.db2.gz ZLKJDYSYWSPABC-GOSISDBHSA-N 1 0 342.439 3.184 20 70 EGIDRO CCC[NH+]1CCC(NC(=O)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000159789704 455403531 /nfs/dbraw/zinc/40/35/31/455403531.db2.gz GFCICQNYWMVCMM-UHFFFAOYSA-N 1 0 344.377 3.118 20 70 EGIDRO CC(C)c1noc2nc(-c3ccco3)cc(C(=O)NCC(C)(C)[NH3+])c21 ZINC000160092175 455428558 /nfs/dbraw/zinc/42/85/58/455428558.db2.gz YFIOCMQUXIATQW-UHFFFAOYSA-N 1 0 342.399 3.073 20 70 EGIDRO COc1cccc(C2(NC(=O)NC[C@H](C)[N@@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000160269580 455442726 /nfs/dbraw/zinc/44/27/26/455442726.db2.gz KUNJDCYTKJPSBP-CVEARBPZSA-N 1 0 345.487 3.104 20 70 EGIDRO O[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000160561685 455474435 /nfs/dbraw/zinc/47/44/35/455474435.db2.gz LFBRAEKTJUDNGN-QFBILLFUSA-N 1 0 336.907 3.445 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3c(C)cc(C)cc31)CC2 ZINC000160518123 455468685 /nfs/dbraw/zinc/46/86/85/455468685.db2.gz RDSFWQGHIMLWEU-NVXWUHKLSA-N 1 0 326.444 3.022 20 70 EGIDRO COc1ccccc1C[C@@H]([NH2+]CC(=O)Nc1ccccc1)C(C)C ZINC000160794257 455498450 /nfs/dbraw/zinc/49/84/50/455498450.db2.gz FXJVMNTYJZNMNF-GOSISDBHSA-N 1 0 326.440 3.491 20 70 EGIDRO C[C@@H]([NH2+]C(C)(C)CNC(=O)c1cccc2[nH]cnc21)c1ccccc1 ZINC000159397379 455374021 /nfs/dbraw/zinc/37/40/21/455374021.db2.gz QABWRTPPDCHGCM-CQSZACIVSA-N 1 0 336.439 3.422 20 70 EGIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)c(Br)c1 ZINC000159480392 455379281 /nfs/dbraw/zinc/37/92/81/455379281.db2.gz WGAYDFYJVKYTBG-NSHDSACASA-N 1 0 343.240 3.251 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)c1C ZINC000159616930 455389133 /nfs/dbraw/zinc/38/91/33/455389133.db2.gz FHDJEWFIISXDOB-GJZGRUSLSA-N 1 0 335.496 3.234 20 70 EGIDRO C[C@@H](C(=O)NCCc1cc2ccccc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000159679576 455395656 /nfs/dbraw/zinc/39/56/56/455395656.db2.gz VQVBAIOIRYOPOD-INIZCTEOSA-N 1 0 347.462 3.273 20 70 EGIDRO COc1ccccc1SCC(=O)N1CC[N@H+](C)CC12CCCCC2 ZINC000159737347 455399131 /nfs/dbraw/zinc/39/91/31/455399131.db2.gz IGRKYCSKZNEAGI-UHFFFAOYSA-N 1 0 348.512 3.264 20 70 EGIDRO C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159846362 455409017 /nfs/dbraw/zinc/40/90/17/455409017.db2.gz OTEGUDLVFQCKOZ-CQSZACIVSA-N 1 0 329.419 3.351 20 70 EGIDRO CCCN(CC(F)F)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159899482 455413427 /nfs/dbraw/zinc/41/34/27/455413427.db2.gz NADTZGLRUOKWHV-ZBFHGGJFSA-N 1 0 339.430 3.336 20 70 EGIDRO Cc1cccc2c(CCC(=O)N3CC[NH+](C4CCCC4)CC3)c[nH]c21 ZINC000160008946 455422274 /nfs/dbraw/zinc/42/22/74/455422274.db2.gz MLMSGDKTEWJGRL-UHFFFAOYSA-N 1 0 339.483 3.496 20 70 EGIDRO CCOCCC[N@@H+]1CC[C@H](NCc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160055223 455425369 /nfs/dbraw/zinc/42/53/69/455425369.db2.gz HPXULTIHLKJUGO-MJGOQNOKSA-N 1 0 349.519 3.095 20 70 EGIDRO CCN(C(=O)N[C@@H](C)CSC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160308760 455447380 /nfs/dbraw/zinc/44/73/80/455447380.db2.gz VUDXBABYZSODQY-RDJZCZTQSA-N 1 0 335.517 3.044 20 70 EGIDRO CC(C)n1cc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cn1 ZINC000160495978 455466849 /nfs/dbraw/zinc/46/68/49/455466849.db2.gz KZYLCYFEIYEEDP-KRWDZBQOSA-N 1 0 342.487 3.147 20 70 EGIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H](C)c1nc2ccccc2s1 ZINC000160573403 455475753 /nfs/dbraw/zinc/47/57/53/455475753.db2.gz NKHBHSJBUHAAOZ-UWVGGRQHSA-N 1 0 345.390 3.056 20 70 EGIDRO O=S(=O)(CC[NH2+][C@H]1CCCc2ccccc21)c1ccc(F)cc1 ZINC000160590174 455477646 /nfs/dbraw/zinc/47/76/46/455477646.db2.gz GWHYNNBSCGXEOA-SFHVURJKSA-N 1 0 333.428 3.267 20 70 EGIDRO Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000160922234 455514207 /nfs/dbraw/zinc/51/42/07/455514207.db2.gz OKDOCFHKEGQUKM-LLVKDONJSA-N 1 0 335.448 3.433 20 70 EGIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N(Cc1cccnc1)C1CC1 ZINC000160954647 455517785 /nfs/dbraw/zinc/51/77/85/455517785.db2.gz KZYNZBUCRXFMRX-LJQANCHMSA-N 1 0 344.503 3.266 20 70 EGIDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)Nc2ccn(CCC(C)C)n2)C1 ZINC000160951125 455518029 /nfs/dbraw/zinc/51/80/29/455518029.db2.gz DKXIRNQSNGAPDN-MRXNPFEDSA-N 1 0 335.496 3.125 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@H](CC(C)C)c2ccccn2)cc1 ZINC000160959179 455518397 /nfs/dbraw/zinc/51/83/97/455518397.db2.gz SUPHWYXJVIBYKA-LJQANCHMSA-N 1 0 341.455 3.083 20 70 EGIDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160998332 455522543 /nfs/dbraw/zinc/52/25/43/455522543.db2.gz IWDMUYKJJYNHEU-PWSUYJOCSA-N 1 0 338.249 3.061 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCCc3sccc32)cc1 ZINC000160999250 455522234 /nfs/dbraw/zinc/52/22/34/455522234.db2.gz WWGBEGCTHQGOPE-INIZCTEOSA-N 1 0 330.453 3.040 20 70 EGIDRO COc1cc([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000161055679 455528630 /nfs/dbraw/zinc/52/86/30/455528630.db2.gz KCYODNDBKQANMJ-IMJJTQAJSA-N 1 0 336.476 3.236 20 70 EGIDRO CCN(Cc1ccccn1)[C@H]1CCCN(c2ccccc2F)C1=O ZINC000161118548 455536349 /nfs/dbraw/zinc/53/63/49/455536349.db2.gz QMSMLYAWBRTASU-SFHVURJKSA-N 1 0 327.403 3.238 20 70 EGIDRO CC(=O)NC1CCC(Nc2ccc(CC[NH+]3CCCC3)cc2)CC1 ZINC000161153618 455541303 /nfs/dbraw/zinc/54/13/03/455541303.db2.gz UVGGSPRXNOKOSX-UHFFFAOYSA-N 1 0 329.488 3.184 20 70 EGIDRO CCC[NH+]1CCC(NC(=O)c2ccc(C)cc2Br)CC1 ZINC000161151966 455541524 /nfs/dbraw/zinc/54/15/24/455541524.db2.gz WUGCXWDXPRNJHA-UHFFFAOYSA-N 1 0 339.277 3.362 20 70 EGIDRO CC[C@@H](C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)on1 ZINC000161278492 455555896 /nfs/dbraw/zinc/55/58/96/455555896.db2.gz GCRFDPZLSJRUGI-ZBFHGGJFSA-N 1 0 329.444 3.091 20 70 EGIDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1OC1CCCC1 ZINC000161303725 455557144 /nfs/dbraw/zinc/55/71/44/455557144.db2.gz FYFAHCVWUIVAMF-GJZGRUSLSA-N 1 0 332.444 3.016 20 70 EGIDRO C[C@H](CC(=O)N1CC[C@@H](COCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000161326179 455559128 /nfs/dbraw/zinc/55/91/28/455559128.db2.gz FYLRZHLMAPOZJD-MISYRCLQSA-N 1 0 344.499 3.078 20 70 EGIDRO O=C(CCCOc1ccc2c(c1)CCC2)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000161330303 455560353 /nfs/dbraw/zinc/56/03/53/455560353.db2.gz JYWXXEOFNWERQF-IBGZPJMESA-N 1 0 342.483 3.031 20 70 EGIDRO CC(C)Oc1ccccc1C[N@@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000161392828 455565937 /nfs/dbraw/zinc/56/59/37/455565937.db2.gz BXFOOGXZQWBQIW-KRWDZBQOSA-N 1 0 340.471 3.391 20 70 EGIDRO CCCn1nc(C)c(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C ZINC000161392799 455566142 /nfs/dbraw/zinc/56/61/42/455566142.db2.gz GURJZTDNINSVDS-AWEZNQCLSA-N 1 0 334.489 3.004 20 70 EGIDRO CCOc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161403825 455567020 /nfs/dbraw/zinc/56/70/20/455567020.db2.gz GQTPHNXIKXASMV-INIZCTEOSA-N 1 0 326.444 3.003 20 70 EGIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](CC)C[C@H](C)CC)nc(N)c21 ZINC000161407397 455567610 /nfs/dbraw/zinc/56/76/10/455567610.db2.gz YERHUHPORJGYQC-LLVKDONJSA-N 1 0 348.447 3.158 20 70 EGIDRO COc1cccc(CCC[NH+]2CCC([C@@H](O)C(F)(F)F)CC2)c1 ZINC000161441741 455570929 /nfs/dbraw/zinc/57/09/29/455570929.db2.gz ZNJCNCOPNUOKHO-MRXNPFEDSA-N 1 0 331.378 3.263 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)CSC(C)(C)C)c1 ZINC000161445042 455571132 /nfs/dbraw/zinc/57/11/32/455571132.db2.gz YCADQJMZUULOIH-OLZOCXBDSA-N 1 0 344.546 3.166 20 70 EGIDRO CC1CC[NH+](C2CCC(NC(=O)COc3ccccc3F)CC2)CC1 ZINC000161463695 455572737 /nfs/dbraw/zinc/57/27/37/455572737.db2.gz ONJPKWJYLCFFMZ-UHFFFAOYSA-N 1 0 348.462 3.364 20 70 EGIDRO COc1cccc([C@H](CNC(=O)c2cccc(C)c2F)[NH+](C)C)c1 ZINC000159647066 533779810 /nfs/dbraw/zinc/77/98/10/533779810.db2.gz KXIGEIVJGJWBBL-KRWDZBQOSA-N 1 0 330.403 3.175 20 70 EGIDRO Cc1ccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000161165218 534268024 /nfs/dbraw/zinc/26/80/24/534268024.db2.gz RXIXFMGEZWJAGB-ZDUSSCGKSA-N 1 0 339.277 3.219 20 70 EGIDRO CC[NH+](CC)CCCCNC(=O)c1cc(NC(C)=O)ccc1Cl ZINC000159668351 528099355 /nfs/dbraw/zinc/09/93/55/528099355.db2.gz QKMGCPMRDTZSFE-UHFFFAOYSA-N 1 0 339.867 3.150 20 70 EGIDRO CC(C)c1ccc([C@@H](C)CC(=O)NC[C@@H](C)N2CC[NH+](C)CC2)cc1 ZINC000160159516 528128525 /nfs/dbraw/zinc/12/85/25/528128525.db2.gz LOVPWXTYLFHEIM-ZWKOTPCHSA-N 1 0 345.531 3.056 20 70 EGIDRO CCC[C@H]([NH2+][C@H](COC)C(C)C)C(=O)N1CCc2sccc2C1 ZINC000160194930 528239987 /nfs/dbraw/zinc/23/99/87/528239987.db2.gz HYTCGJISGPTGLJ-JKSUJKDBSA-N 1 0 338.517 3.062 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccccc2)cc1 ZINC000159532670 529163270 /nfs/dbraw/zinc/16/32/70/529163270.db2.gz KRZXQNGQBHAPLJ-BEFAXECRSA-N 1 0 347.480 3.039 20 70 EGIDRO COCCC1(C(=O)NC[C@H](c2ccccc2)[NH+]2CCCC2)CCC1 ZINC000159664769 533182948 /nfs/dbraw/zinc/18/29/48/533182948.db2.gz AHCAMRZJOLNZGP-GOSISDBHSA-N 1 0 330.472 3.147 20 70 EGIDRO C[C@@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159555399 533322773 /nfs/dbraw/zinc/32/27/73/533322773.db2.gz SIAYFCYDZLNVRU-PGUXBMHVSA-N 1 0 345.270 3.413 20 70 EGIDRO COc1ccc2nc(C)cc(C(=O)NC[C@@H](C)C[NH+]3CCCC3)c2c1 ZINC000161073556 140967053 /nfs/dbraw/zinc/96/70/53/140967053.db2.gz CRBZFNZMRNQJKM-CQSZACIVSA-N 1 0 341.455 3.014 20 70 EGIDRO CCOc1ccccc1[C@@H](CC)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159794396 225279486 /nfs/dbraw/zinc/27/94/86/225279486.db2.gz NTMMOMSYJQYHPG-QGZVFWFLSA-N 1 0 333.476 3.274 20 70 EGIDRO Cc1cc(NC(=O)[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000159565244 225241706 /nfs/dbraw/zinc/24/17/06/225241706.db2.gz CSXSIJKNYNAPFN-NWDGAFQWSA-N 1 0 330.350 3.392 20 70 EGIDRO COc1ccc(C[C@@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1OC ZINC000161033137 225530923 /nfs/dbraw/zinc/53/09/23/225530923.db2.gz VEDFTQRZROKJAJ-CRAIPNDOSA-N 1 0 329.440 3.348 20 70 EGIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](CC(C)C)CC2)c1C ZINC000159715947 307878387 /nfs/dbraw/zinc/87/83/87/307878387.db2.gz MEMIAUQVPRAVML-UHFFFAOYSA-N 1 0 335.496 3.234 20 70 EGIDRO CC(C)[NH+](CCSCCN1C(=O)c2ccccc2C1=O)C(C)C ZINC000160930738 307896300 /nfs/dbraw/zinc/89/63/00/307896300.db2.gz PMJQGWNWKVWYNC-UHFFFAOYSA-N 1 0 334.485 3.135 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc(C)c(C)c2)cc1 ZINC000160977303 307896619 /nfs/dbraw/zinc/89/66/19/307896619.db2.gz VSDCSTWIOZZLGK-INIZCTEOSA-N 1 0 326.440 3.279 20 70 EGIDRO C[C@H](C(=O)N(C)CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000161365300 307901842 /nfs/dbraw/zinc/90/18/42/307901842.db2.gz BGWGXERIUCFGIN-ZDUSSCGKSA-N 1 0 339.277 3.107 20 70 EGIDRO Cc1ccc(NC(=O)CN2CCO[C@]3(CCc4ccccc43)C2)cc1 ZINC000159672300 455394427 /nfs/dbraw/zinc/39/44/27/455394427.db2.gz HSCRIYHTARXGQT-OAQYLSRUSA-N 1 0 336.435 3.107 20 70 EGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2CCCN2C(=O)c3ccccc3C2=O)n1 ZINC000159754736 455400292 /nfs/dbraw/zinc/40/02/92/455400292.db2.gz JZGLOQPWMRCHCL-IBGZPJMESA-N 1 0 349.434 3.213 20 70 EGIDRO CCCCn1ncc(NC(=O)N[C@@H]2CC[N@H+](CC3CCCC3)C2)c1C ZINC000159944758 455417629 /nfs/dbraw/zinc/41/76/29/455417629.db2.gz YBVNJLPCIRXNAL-QGZVFWFLSA-N 1 0 347.507 3.378 20 70 EGIDRO COCC[N@H+](Cc1cn(C)nc1-c1cccnc1)Cc1ccccc1 ZINC000160443115 455459250 /nfs/dbraw/zinc/45/92/50/455459250.db2.gz LCWASHJESCVKEP-UHFFFAOYSA-N 1 0 336.439 3.131 20 70 EGIDRO COc1ccc(CCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1F ZINC000160561818 455474900 /nfs/dbraw/zinc/47/49/00/455474900.db2.gz NXCPKRHIMSDRLS-MRXNPFEDSA-N 1 0 336.451 3.004 20 70 EGIDRO CN(Cc1cccc(Cl)c1Cl)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000160780340 455498033 /nfs/dbraw/zinc/49/80/33/455498033.db2.gz OTXGGUBATFSSRV-LBPRGKRZSA-N 1 0 347.311 3.389 20 70 EGIDRO Cc1nc(CC(=O)N2CCC[N@H+](CC3CCCCC3)CC2)c(C)s1 ZINC000160796416 455499157 /nfs/dbraw/zinc/49/91/57/455499157.db2.gz YJUQAOWVSVYMSG-UHFFFAOYSA-N 1 0 349.544 3.417 20 70 EGIDRO CC(C)(NC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)c1cccc(F)c1 ZINC000160825666 455502914 /nfs/dbraw/zinc/50/29/14/455502914.db2.gz UJAPCTXFRXCTIH-INIZCTEOSA-N 1 0 333.451 3.377 20 70 EGIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Sc1ccccc1 ZINC000159404462 455375462 /nfs/dbraw/zinc/37/54/62/455375462.db2.gz FCBUOTBWDAIJEB-CABCVRRESA-N 1 0 344.480 3.477 20 70 EGIDRO COC(=O)c1sc2ccccc2c1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159454143 455378644 /nfs/dbraw/zinc/37/86/44/455378644.db2.gz QSAXRWHHUQOVCF-DOMZBBRYSA-N 1 0 333.453 3.281 20 70 EGIDRO Cc1noc(Cl)c1CC(=O)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000159600019 455388445 /nfs/dbraw/zinc/38/84/45/455388445.db2.gz VRHAVVMFDJIDGG-INIZCTEOSA-N 1 0 347.846 3.132 20 70 EGIDRO COc1ccc2c(c1)CCC[C@H]2CC(=O)NCC1([NH3+])CCCCC1 ZINC000159626297 455389973 /nfs/dbraw/zinc/38/99/73/455389973.db2.gz HNJFVKBEXKISIS-INIZCTEOSA-N 1 0 330.472 3.283 20 70 EGIDRO C[C@@H]1CCN(C(=O)c2ccc3cc(Br)ccc3c2)C[C@@H]1[NH3+] ZINC000159650343 455392319 /nfs/dbraw/zinc/39/23/19/455392319.db2.gz AAYPZMMBIIISMJ-BZNIZROVSA-N 1 0 347.256 3.412 20 70 EGIDRO CCCC[NH+]1CCC(NC(=O)Nc2ccn(CCC(C)C)n2)CC1 ZINC000159699356 455396540 /nfs/dbraw/zinc/39/65/40/455396540.db2.gz SMSOVFGEEKXFRZ-UHFFFAOYSA-N 1 0 335.496 3.315 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000159772110 455402571 /nfs/dbraw/zinc/40/25/71/455402571.db2.gz ACQCCDQKRBRFMQ-KRWDZBQOSA-N 1 0 331.504 3.480 20 70 EGIDRO O=C(c1csc([C@H]2CCCO2)n1)N1CC[NH+](C2CCCCC2)CC1 ZINC000159816336 455407243 /nfs/dbraw/zinc/40/72/43/455407243.db2.gz IBXFKAKRSUXGBK-MRXNPFEDSA-N 1 0 349.500 3.085 20 70 EGIDRO CCCCn1ncc(NC(=O)NCC[N@@H+]2CCCC[C@H]2CC)c1C ZINC000159959579 455418237 /nfs/dbraw/zinc/41/82/37/455418237.db2.gz XQVSMABQASBDMN-MRXNPFEDSA-N 1 0 335.496 3.378 20 70 EGIDRO CC[NH+](CC)[C@@H](CNc1ccc2nnc(C(F)F)n2n1)CC(C)C ZINC000160061391 455425116 /nfs/dbraw/zinc/42/51/16/455425116.db2.gz IMNAIRZWGDZKDP-GFCCVEGCSA-N 1 0 340.422 3.230 20 70 EGIDRO Cc1cccc([C@H]2CCCN2CC(=O)NCCc2ccc(F)cc2)n1 ZINC000160129978 455430633 /nfs/dbraw/zinc/43/06/33/455430633.db2.gz FJNXWGHVSCTCAS-LJQANCHMSA-N 1 0 341.430 3.025 20 70 EGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1sc(-c2cccnc2)nc1C ZINC000160296154 455446169 /nfs/dbraw/zinc/44/61/69/455446169.db2.gz GEPCDUVNKDFXGK-SMDDNHRTSA-N 1 0 337.514 3.278 20 70 EGIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1OC ZINC000160352176 455450626 /nfs/dbraw/zinc/45/06/26/455450626.db2.gz MMENBKBWOBDHAB-DZGCQCFKSA-N 1 0 334.851 3.304 20 70 EGIDRO CC1CCN(c2ccc(CN[C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486351 455465468 /nfs/dbraw/zinc/46/54/68/455465468.db2.gz QOXNWQITPWYTFF-YQVWRLOYSA-N 1 0 330.520 3.136 20 70 EGIDRO Cc1cccc2[nH]c(CCC(=O)NC[C@H]3CCC[N@H+]3CC(C)C)nc21 ZINC000160515958 455468223 /nfs/dbraw/zinc/46/82/23/455468223.db2.gz NPXSRCFJCUKXTJ-MRXNPFEDSA-N 1 0 342.487 3.041 20 70 EGIDRO Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160595322 455478048 /nfs/dbraw/zinc/47/80/48/455478048.db2.gz KKGZFGQSJIIBEM-QMMMGPOBSA-N 1 0 337.411 3.078 20 70 EGIDRO Cc1cc(C(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc(Cl)n1 ZINC000160810458 455500724 /nfs/dbraw/zinc/50/07/24/455500724.db2.gz ZHKUGBOYXUDYRY-XJKSGUPXSA-N 1 0 333.863 3.132 20 70 EGIDRO Cc1ccc(C[N@@H+](C)Cc2ccc(OCc3noc(C)n3)cc2)o1 ZINC000160871311 455507084 /nfs/dbraw/zinc/50/70/84/455507084.db2.gz JFURMVAJLQXBJZ-UHFFFAOYSA-N 1 0 327.384 3.490 20 70 EGIDRO CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160919580 455513329 /nfs/dbraw/zinc/51/33/29/455513329.db2.gz IRSURJRHAKIXKD-QGZVFWFLSA-N 1 0 332.488 3.467 20 70 EGIDRO CS(=O)(=O)c1ccc(C[NH2+]Cc2cc(F)cc(Cl)c2)cc1 ZINC000160923080 455513765 /nfs/dbraw/zinc/51/37/65/455513765.db2.gz PKIQSOPTQOIVFF-UHFFFAOYSA-N 1 0 327.808 3.172 20 70 EGIDRO COc1ccc(NC(=O)[C@@H]([NH3+])C(C)C)cc1NC(=O)C1CCCCC1 ZINC000160920994 455514246 /nfs/dbraw/zinc/51/42/46/455514246.db2.gz MSNUECQTVJWJPU-KRWDZBQOSA-N 1 0 347.459 3.136 20 70 EGIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C(C)C ZINC000160944850 455516729 /nfs/dbraw/zinc/51/67/29/455516729.db2.gz RIAUZLKKLRHQGK-MDZRGWNJSA-N 1 0 332.488 3.460 20 70 EGIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(N2CCOC2=O)cc1 ZINC000160965292 455518411 /nfs/dbraw/zinc/51/84/11/455518411.db2.gz SIVPKCTYOLHSLW-DNVCBOLYSA-N 1 0 340.423 3.418 20 70 EGIDRO COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC(=O)NC(C)C)s2)cc1 ZINC000160980224 455520114 /nfs/dbraw/zinc/52/01/14/455520114.db2.gz UJLUNRCMEVIVDH-LBPRGKRZSA-N 1 0 347.484 3.302 20 70 EGIDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)[C@H]1CCOC1 ZINC000161026670 455524993 /nfs/dbraw/zinc/52/49/93/455524993.db2.gz JQTGRZPHJWEZQX-PKOBYXMFSA-N 1 0 330.472 3.004 20 70 EGIDRO COc1cc(C2(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)CCCC2)ccc1C ZINC000161046190 455526544 /nfs/dbraw/zinc/52/65/44/455526544.db2.gz MJMJKCGKKAXJIP-SJORKVTESA-N 1 0 330.472 3.202 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)Oc2ccc(Cl)cc2C)CC1 ZINC000161079489 455530900 /nfs/dbraw/zinc/53/09/00/455530900.db2.gz QEXCFHBPSUZPFQ-AWEZNQCLSA-N 1 0 338.879 3.264 20 70 EGIDRO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@H]1CCCC[C@@H]1O ZINC000161086403 455532023 /nfs/dbraw/zinc/53/20/23/455532023.db2.gz QGEGULZCSXMZOL-STQMWFEESA-N 1 0 331.243 3.167 20 70 EGIDRO C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H](c2ccccc2)O1 ZINC000161093807 455532726 /nfs/dbraw/zinc/53/27/26/455532726.db2.gz HYLTWKVYIUWRHM-OXJNMPFZSA-N 1 0 338.451 3.350 20 70 EGIDRO C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H](c2ccccc2)O1 ZINC000161093932 455532858 /nfs/dbraw/zinc/53/28/58/455532858.db2.gz HYLTWKVYIUWRHM-UZLBHIALSA-N 1 0 338.451 3.350 20 70 EGIDRO C[NH+](C)Cc1cccc(CNC(=O)c2nc3ccccc3s2)c1 ZINC000161095591 455532948 /nfs/dbraw/zinc/53/29/48/455532948.db2.gz LZNTXBWLHYWRAU-UHFFFAOYSA-N 1 0 325.437 3.288 20 70 EGIDRO CCCCn1ncc(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)c1C ZINC000161101886 455533628 /nfs/dbraw/zinc/53/36/28/455533628.db2.gz XJEKHDIMUNMDGL-GOSISDBHSA-N 1 0 346.450 3.163 20 70 EGIDRO CC(=O)Nc1cccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000161115761 455536387 /nfs/dbraw/zinc/53/63/87/455536387.db2.gz YYCAGMAMTBLDNB-CYBMUJFWSA-N 1 0 326.396 3.267 20 70 EGIDRO COCCOc1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)cc1 ZINC000161122221 455537087 /nfs/dbraw/zinc/53/70/87/455537087.db2.gz DZTHZIOAGJZZEQ-OAHLLOKOSA-N 1 0 343.423 3.334 20 70 EGIDRO CC[C@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(F)cc1F ZINC000161208838 455548260 /nfs/dbraw/zinc/54/82/60/455548260.db2.gz RUASNNDHOLVGJO-ZWKOTPCHSA-N 1 0 330.378 3.247 20 70 EGIDRO C[C@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)C(=O)NCc1ccccc1 ZINC000161208582 455548635 /nfs/dbraw/zinc/54/86/35/455548635.db2.gz QBAOJEZXLQWABY-GJZGRUSLSA-N 1 0 343.446 3.247 20 70 EGIDRO Cc1ccc(C(=O)CC[NH+]2CCC(OC[C@H]3CCOC3)CC2)cc1 ZINC000161207524 455548663 /nfs/dbraw/zinc/54/86/63/455548663.db2.gz IDFWYFALUPVJTO-KRWDZBQOSA-N 1 0 331.456 3.085 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)NCCCO[C@@H]1CCCc2ccccc21 ZINC000161228392 455550434 /nfs/dbraw/zinc/55/04/34/455550434.db2.gz LBCVBAYGJISEOW-GOSISDBHSA-N 1 0 332.488 3.352 20 70 EGIDRO CN(CCCc1cc(-c2ccc(F)cc2)n[nH]1)Cc1nccn1C ZINC000161227941 455550488 /nfs/dbraw/zinc/55/04/88/455550488.db2.gz MDWLVYSHCMUECQ-UHFFFAOYSA-N 1 0 327.407 3.014 20 70 EGIDRO O=C(CCCOc1ccc2c(c1)CCC2)NC1CC[NH+](C2CC2)CC1 ZINC000161228096 455550671 /nfs/dbraw/zinc/55/06/71/455550671.db2.gz VKDSSLOFPHBESA-UHFFFAOYSA-N 1 0 342.483 3.077 20 70 EGIDRO CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CCOCC1 ZINC000161267085 455554206 /nfs/dbraw/zinc/55/42/06/455554206.db2.gz MCNWTUBONJIWCT-GOEBONIOSA-N 1 0 328.497 3.331 20 70 EGIDRO COc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161287921 455555925 /nfs/dbraw/zinc/55/59/25/455555925.db2.gz POUKGTASKCYQNN-KGLIPLIRSA-N 1 0 330.453 3.423 20 70 EGIDRO C[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)COCc1ccccc1 ZINC000161296431 455556459 /nfs/dbraw/zinc/55/64/59/455556459.db2.gz FNDYKMXXTBUAMW-OAHLLOKOSA-N 1 0 344.421 3.456 20 70 EGIDRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)c21 ZINC000161325437 455559048 /nfs/dbraw/zinc/55/90/48/455559048.db2.gz XEIZXWZZMCIYHZ-STQMWFEESA-N 1 0 342.443 3.223 20 70 EGIDRO CCCn1nc(C)c(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1C ZINC000161406449 455567871 /nfs/dbraw/zinc/56/78/71/455567871.db2.gz JCUWJFQUXSHOTO-INIZCTEOSA-N 1 0 344.459 3.070 20 70 EGIDRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161422827 455568914 /nfs/dbraw/zinc/56/89/14/455568914.db2.gz KWYLJZCGZORQAN-HUUCEWRRSA-N 1 0 347.459 3.181 20 70 EGIDRO C[NH+](C)Cc1ccc(C(N)=O)cc1NC(=O)C1CCC(C)(C)CC1 ZINC000161430054 455569299 /nfs/dbraw/zinc/56/92/99/455569299.db2.gz IAQIHANGYXLFOH-UHFFFAOYSA-N 1 0 331.460 3.002 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCc3ccc(F)cc32)c1 ZINC000161455947 455571907 /nfs/dbraw/zinc/57/19/07/455571907.db2.gz SWAIVFRCISMMPO-XIKOKIGWSA-N 1 0 348.443 3.072 20 70 EGIDRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@@H](CCO)C(C)(C)C)cc1 ZINC000161500610 455575356 /nfs/dbraw/zinc/57/53/56/455575356.db2.gz MMMGBADDBYOCLU-SFHVURJKSA-N 1 0 349.519 3.125 20 70 EGIDRO Fc1cc(Br)ccc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217667276 456033807 /nfs/dbraw/zinc/03/38/07/456033807.db2.gz YLWFFBQWNBKKGT-CABCVRRESA-N 1 0 327.241 3.305 20 70 EGIDRO CC(C)(C(=O)NC1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000160064489 527514002 /nfs/dbraw/zinc/51/40/02/527514002.db2.gz BBQSAHRTNZNAPE-UHFFFAOYSA-N 1 0 329.488 3.379 20 70 EGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(S(C)(=O)=O)cc2)cn1 ZINC000160042616 528163290 /nfs/dbraw/zinc/16/32/90/528163290.db2.gz STFTWQMIKRCAMN-CQSZACIVSA-N 1 0 348.468 3.123 20 70 EGIDRO CCOc1ccc([C@H](C)[NH2+]CCCN2CCCC2=O)cc1OCC ZINC000159578919 528605817 /nfs/dbraw/zinc/60/58/17/528605817.db2.gz RCTFKGOQXIHEGF-HNNXBMFYSA-N 1 0 334.460 3.147 20 70 EGIDRO CCC(CC)[C@H](O)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159379005 528859428 /nfs/dbraw/zinc/85/94/28/528859428.db2.gz IGKYUNRKWWIEOM-LJQANCHMSA-N 1 0 346.515 3.202 20 70 EGIDRO CC1(C(=O)Nc2ccc3n[nH]nc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000159432263 528859680 /nfs/dbraw/zinc/85/96/80/528859680.db2.gz IKVLKLYVJXIBFZ-UHFFFAOYSA-N 1 0 349.438 3.199 20 70 EGIDRO CC[NH+]1CCC(NC(=O)c2ccccc2NC(=O)OC(C)(C)C)CC1 ZINC000159912518 528985643 /nfs/dbraw/zinc/98/56/43/528985643.db2.gz XQRRMTLFSLNDOF-UHFFFAOYSA-N 1 0 347.459 3.248 20 70 EGIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000160396017 536300157 /nfs/dbraw/zinc/30/01/57/536300157.db2.gz QBNPDKMJWMWXPH-CJNGLKHVSA-N 1 0 344.459 3.066 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCCOc3c(Cl)cccc31)CC2 ZINC000160364581 538553640 /nfs/dbraw/zinc/55/36/40/538553640.db2.gz NHAPKEAKAHEFMR-IUODEOHRSA-N 1 0 332.835 3.058 20 70 EGIDRO CO[C@H](CNC(=O)N(CC[NH+](C)C)C(C)C)c1ccccc1Cl ZINC000159720681 546940572 /nfs/dbraw/zinc/94/05/72/546940572.db2.gz CYNYUJBXSAUKSG-MRXNPFEDSA-N 1 0 341.883 3.009 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCCc2c[nH]c3cc(Cl)ccc23)CC1 ZINC000159777914 546941925 /nfs/dbraw/zinc/94/19/25/546941925.db2.gz PXJGKOLSYFNZEI-UHFFFAOYSA-N 1 0 348.878 3.101 20 70 EGIDRO COc1cccc2cc(C(=O)NC[C@H]3CCC[N@@H+]3CC(C)C)oc21 ZINC000160414010 546946405 /nfs/dbraw/zinc/94/64/05/546946405.db2.gz SLONGMIGFFULJL-OAHLLOKOSA-N 1 0 330.428 3.292 20 70 EGIDRO CC[C@@H](C)Oc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159841011 529383497 /nfs/dbraw/zinc/38/34/97/529383497.db2.gz VYLYIBHLQSAIAP-OAHLLOKOSA-N 1 0 330.472 3.468 20 70 EGIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](c1ccco1)N1CCCC1 ZINC000159569587 529766488 /nfs/dbraw/zinc/76/64/88/529766488.db2.gz ZHXMSBSEGRMMMK-GOSISDBHSA-N 1 0 330.476 3.065 20 70 EGIDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000160366469 529980094 /nfs/dbraw/zinc/98/00/94/529980094.db2.gz QSZKYNJORBQOGC-DOMZBBRYSA-N 1 0 326.868 3.408 20 70 EGIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c2ccccc12 ZINC000160383507 533174767 /nfs/dbraw/zinc/17/47/67/533174767.db2.gz YHEKAVHWBZBMOB-DZGCQCFKSA-N 1 0 336.439 3.414 20 70 EGIDRO COCC[C@@H](Cc1cccc(F)c1)[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000159915902 533281605 /nfs/dbraw/zinc/28/16/05/533281605.db2.gz LTIKSJLETBAKCO-ZWKOTPCHSA-N 1 0 337.460 3.332 20 70 EGIDRO C[NH+](C)CC1CCC(NC(=O)Nc2ccc3c(c2)OC(C)(C)O3)CC1 ZINC000159584829 140941242 /nfs/dbraw/zinc/94/12/42/140941242.db2.gz MGLIZPJNAYLPLC-UHFFFAOYSA-N 1 0 347.459 3.436 20 70 EGIDRO COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159731421 225268275 /nfs/dbraw/zinc/26/82/75/225268275.db2.gz SQTFQIVBIHQORR-HNAYVOBHSA-N 1 0 345.487 3.035 20 70 EGIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(S(C)(=O)=O)cc1 ZINC000160227756 225365258 /nfs/dbraw/zinc/36/52/58/225365258.db2.gz CSNICHIJWZYWHV-BEFAXECRSA-N 1 0 344.480 3.023 20 70 EGIDRO CCCOc1cc(C)ccc1CNC(=O)N(CC[NH+](C)C)C(C)C ZINC000159559454 264860079 /nfs/dbraw/zinc/86/00/79/264860079.db2.gz PGTJAPPCSITNER-UHFFFAOYSA-N 1 0 335.492 3.265 20 70 EGIDRO CC(C)c1cc(C(=O)N2CCC([NH2+]CC3CC3)CC2)nn1C(C)(C)C ZINC000159801926 264865309 /nfs/dbraw/zinc/86/53/09/264865309.db2.gz NELNWBUIFBLACW-UHFFFAOYSA-N 1 0 346.519 3.366 20 70 EGIDRO COc1ccc(C[N@H+](C)Cc2c[nH]nc2-c2cccnc2)c(OC)c1 ZINC000160837602 275196228 /nfs/dbraw/zinc/19/62/28/275196228.db2.gz JZYGPRCDHFFMTE-UHFFFAOYSA-N 1 0 338.411 3.121 20 70 EGIDRO OCC[NH2+][C@H](Cc1ccccc1F)c1ccccc1Br ZINC000159725746 307878378 /nfs/dbraw/zinc/87/83/78/307878378.db2.gz KRMYVWDPZRIYCL-MRXNPFEDSA-N 1 0 338.220 3.454 20 70 EGIDRO CCCN(CC)c1ccc(C(=O)N2CC[NH+](C3CCCC3)CC2)cn1 ZINC000159827763 307880512 /nfs/dbraw/zinc/88/05/12/307880512.db2.gz VLJULBZQUOJJQN-UHFFFAOYSA-N 1 0 344.503 3.018 20 70 EGIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(Br)cc1 ZINC000159996467 307883356 /nfs/dbraw/zinc/88/33/56/307883356.db2.gz SZNPQXRTWZBPOW-LBPRGKRZSA-N 1 0 327.266 3.262 20 70 EGIDRO Cc1nc(C)c(CNc2ccc(OC3CC[NH+](C)CC3)nc2)s1 ZINC000160067903 307884223 /nfs/dbraw/zinc/88/42/23/307884223.db2.gz JXDRJAXRHCGENU-UHFFFAOYSA-N 1 0 332.473 3.240 20 70 EGIDRO C[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000161233463 307900527 /nfs/dbraw/zinc/90/05/27/307900527.db2.gz ZTMWCKQSYKZAPX-DOMZBBRYSA-N 1 0 339.277 3.105 20 70 EGIDRO O[C@@H](C1CC[NH+](Cc2ccc(-n3cccn3)cc2)CC1)C(F)(F)F ZINC000161504289 307903380 /nfs/dbraw/zinc/90/33/80/307903380.db2.gz LKCRMIXBUQBPII-INIZCTEOSA-N 1 0 339.361 3.008 20 70 EGIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)C1 ZINC000159367089 455372780 /nfs/dbraw/zinc/37/27/80/455372780.db2.gz HNPUTMQOMZTQAS-YSVLISHTSA-N 1 0 331.489 3.377 20 70 EGIDRO CCC[C@@H]([NH3+])C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000159656219 455394044 /nfs/dbraw/zinc/39/40/44/455394044.db2.gz WYXGNJWOKVIKIA-GXFFZTMASA-N 1 0 345.306 3.173 20 70 EGIDRO Cc1cccc([C@@H]2CCCN2CC(=O)NCc2cc(F)cc(F)c2)n1 ZINC000159834574 455407809 /nfs/dbraw/zinc/40/78/09/455407809.db2.gz RNMBNQYBYAKNPW-SFHVURJKSA-N 1 0 345.393 3.122 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000160423107 455457431 /nfs/dbraw/zinc/45/74/31/455457431.db2.gz CBGUENWLBVDABD-CHWSQXEVSA-N 1 0 344.377 3.322 20 70 EGIDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(-n2cncn2)c(C)c1 ZINC000160439460 455459230 /nfs/dbraw/zinc/45/92/30/455459230.db2.gz RPVPFJVIRZGLQJ-UHFFFAOYSA-N 1 0 336.439 3.224 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)/C=C/c1cc(Cl)c(OC)c(OC)c1 ZINC000160507451 455467789 /nfs/dbraw/zinc/46/77/89/455467789.db2.gz FULQIOGTALARRQ-BQYQJAHWSA-N 1 0 340.851 3.004 20 70 EGIDRO C[C@@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccc(Br)cc1 ZINC000159460783 455378568 /nfs/dbraw/zinc/37/85/68/455378568.db2.gz LRPOUOBOFKBYHC-ABAIWWIYSA-N 1 0 339.277 3.009 20 70 EGIDRO Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000159532244 455382923 /nfs/dbraw/zinc/38/29/23/455382923.db2.gz FHPKITKWLLSWCX-MSOLQXFVSA-N 1 0 330.472 3.098 20 70 EGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H](C)c1cccc(N2CCCC2)c1 ZINC000159566896 455386510 /nfs/dbraw/zinc/38/65/10/455386510.db2.gz ZOWKHRBRKBLOGE-KRWDZBQOSA-N 1 0 346.519 3.329 20 70 EGIDRO CC(C)Oc1cncc(C(=O)N2CC[NH+](CCC(C)(C)C)CC2)c1 ZINC000159636354 455391630 /nfs/dbraw/zinc/39/16/30/455391630.db2.gz KHYNJQRONCAEQI-UHFFFAOYSA-N 1 0 333.476 3.063 20 70 EGIDRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159759825 455401331 /nfs/dbraw/zinc/40/13/31/455401331.db2.gz SWPFHXMBZOXACD-ZETOZRRWSA-N 1 0 345.270 3.413 20 70 EGIDRO CCCCn1ncc(NC(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000159818205 455406539 /nfs/dbraw/zinc/40/65/39/455406539.db2.gz QCSWSLXUMSTRGQ-GJZGRUSLSA-N 1 0 335.496 3.234 20 70 EGIDRO CCC[C@@H]1CN(C(=O)NCc2cccc(C[NH+](CC)CC)c2)CCO1 ZINC000159904638 455414611 /nfs/dbraw/zinc/41/46/11/455414611.db2.gz PXIQLHDJNRDWRN-LJQANCHMSA-N 1 0 347.503 3.239 20 70 EGIDRO CCCC[C@H](C(=O)OC)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160071442 455425991 /nfs/dbraw/zinc/42/59/91/455425991.db2.gz JEBKUKHMJGTNGJ-GOSISDBHSA-N 1 0 347.503 3.352 20 70 EGIDRO COc1ccc([C@H](C)[NH2+][C@@H](CCO)CSC)cc1Br ZINC000160152030 455432934 /nfs/dbraw/zinc/43/29/34/455432934.db2.gz WYWXMYAPISAMJY-JQWIXIFHSA-N 1 0 348.306 3.222 20 70 EGIDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000160279352 455443926 /nfs/dbraw/zinc/44/39/26/455443926.db2.gz GVNQJTWDOZJQJJ-INIZCTEOSA-N 1 0 330.472 3.422 20 70 EGIDRO CC[N@H+](Cc1ccc(C(=O)NC[C@@H](C)Cn2cccn2)cc1)C(C)C ZINC000160323393 455448829 /nfs/dbraw/zinc/44/88/29/455448829.db2.gz RFXXCGRVEAEQDD-QGZVFWFLSA-N 1 0 342.487 3.180 20 70 EGIDRO COc1ccccc1[C@@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000160375628 455451619 /nfs/dbraw/zinc/45/16/19/455451619.db2.gz FMHQNQVZONDEMF-MJGOQNOKSA-N 1 0 338.451 3.491 20 70 EGIDRO COCC[N@H+](Cc1ccccc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000160438051 455458863 /nfs/dbraw/zinc/45/88/63/455458863.db2.gz CETWSXZEKJQFAT-UHFFFAOYSA-N 1 0 329.396 3.073 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@H](C)Oc1ccccc1C(F)(F)F ZINC000160497307 455466549 /nfs/dbraw/zinc/46/65/49/455466549.db2.gz DHTSXKUNRHDRTB-NSHDSACASA-N 1 0 332.366 3.106 20 70 EGIDRO CC(C)C[C@@H](NC(=O)C[NH2+]C[C@H]1CCCO1)c1ccc(Cl)cc1 ZINC000160558985 455473575 /nfs/dbraw/zinc/47/35/75/455473575.db2.gz XIRMYHYRDGYWHU-IAGOWNOFSA-N 1 0 338.879 3.312 20 70 EGIDRO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000160617925 455481183 /nfs/dbraw/zinc/48/11/83/455481183.db2.gz CESQOWHXCYNCQU-KBXCAEBGSA-N 1 0 333.451 3.403 20 70 EGIDRO CC[C@H]1c2ccsc2CCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160637039 455482785 /nfs/dbraw/zinc/48/27/85/455482785.db2.gz VCQKDKWRRWVNAW-ZBFHGGJFSA-N 1 0 333.501 3.251 20 70 EGIDRO C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1c(F)cccc1F ZINC000160926798 455513872 /nfs/dbraw/zinc/51/38/72/455513872.db2.gz QULJURFGWVXNKN-GUYCJALGSA-N 1 0 332.394 3.487 20 70 EGIDRO CC[N@@H+](Cc1ccc([S@](C)=O)cc1)C[C@@H]1COc2ccccc2O1 ZINC000160956000 455517566 /nfs/dbraw/zinc/51/75/66/455517566.db2.gz AVBWQSSZNMCCET-VOIUYBSRSA-N 1 0 345.464 3.086 20 70 EGIDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCCC(C)C ZINC000160958046 455518779 /nfs/dbraw/zinc/51/87/79/455518779.db2.gz LOGMZSWFOIZGCG-JKSUJKDBSA-N 1 0 334.460 3.120 20 70 EGIDRO CC(C)[NH+](CCSCc1nc2ccccc2c(=O)n1C)C(C)C ZINC000160972408 455519123 /nfs/dbraw/zinc/51/91/23/455519123.db2.gz GMJZYWSQVKAJJZ-UHFFFAOYSA-N 1 0 333.501 3.286 20 70 EGIDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000160976891 455520490 /nfs/dbraw/zinc/52/04/90/455520490.db2.gz CQNVFCMCQIJPBU-PBHICJAKSA-N 1 0 344.480 3.439 20 70 EGIDRO CCc1ccc([C@H](C)[NH2+]CC(=O)NCc2ccc(OC)cc2)s1 ZINC000161014658 455524007 /nfs/dbraw/zinc/52/40/07/455524007.db2.gz XDLBDDIQBFUOQB-ZDUSSCGKSA-N 1 0 332.469 3.286 20 70 EGIDRO C[C@@H](CC(=O)Nc1ccc(F)cc1OC(F)F)C1CC[NH2+]CC1 ZINC000161084851 455531636 /nfs/dbraw/zinc/53/16/36/455531636.db2.gz MVLVAZUNCSFWPK-JTQLQIEISA-N 1 0 330.350 3.391 20 70 EGIDRO CC[NH+]1CCC(N(C)C(=O)c2ccc(C)cc2Br)CC1 ZINC000161098038 455532651 /nfs/dbraw/zinc/53/26/51/455532651.db2.gz YPXYCTCFWIGIBH-UHFFFAOYSA-N 1 0 339.277 3.314 20 70 EGIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCO2 ZINC000161131285 455538166 /nfs/dbraw/zinc/53/81/66/455538166.db2.gz PFEYJYUANOABFD-ZDUSSCGKSA-N 1 0 327.380 3.080 20 70 EGIDRO Cc1ccc(C(=O)NCC[NH+]2CCC(C)CC2)c(Br)c1 ZINC000161149228 455540246 /nfs/dbraw/zinc/54/02/46/455540246.db2.gz IBNDTHLEUHRHEF-UHFFFAOYSA-N 1 0 339.277 3.219 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(Br)cc1Cl ZINC000161196357 455546531 /nfs/dbraw/zinc/54/65/31/455546531.db2.gz MMBWFZLUMRPOGT-UHFFFAOYSA-N 1 0 347.684 3.484 20 70 EGIDRO CCOc1ccc(CC[NH2+]C2CCC(NC(C)=O)CC2)cc1OCC ZINC000161223710 455549376 /nfs/dbraw/zinc/54/93/76/455549376.db2.gz PFZVRTVRXKVYCQ-UHFFFAOYSA-N 1 0 348.487 3.063 20 70 EGIDRO Cc1nn(C)cc1C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000161231806 455550597 /nfs/dbraw/zinc/55/05/97/455550597.db2.gz WUWFPKMMRYFXLE-ZDUSSCGKSA-N 1 0 327.407 3.213 20 70 EGIDRO Cc1cc(C(=O)NC[C@H](c2cccs2)[NH+]2CCC(C)CC2)ncn1 ZINC000161246207 455552527 /nfs/dbraw/zinc/55/25/27/455552527.db2.gz QDWRGGBAQLFNLD-MRXNPFEDSA-N 1 0 344.484 3.050 20 70 EGIDRO CCCC(C)(C)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161260331 455553290 /nfs/dbraw/zinc/55/32/90/455553290.db2.gz RZCDWNJJXLBFCX-OAHLLOKOSA-N 1 0 332.492 3.485 20 70 EGIDRO COc1ccc([C@@H](NC(=O)[C@H](C)[NH3+])c2ccccc2Cl)c(C)c1 ZINC000161271881 455554722 /nfs/dbraw/zinc/55/47/22/455554722.db2.gz QKEMSFJLDCJHKZ-YVEFUNNKSA-N 1 0 332.831 3.210 20 70 EGIDRO Cc1cccc(CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000161398229 455566977 /nfs/dbraw/zinc/56/69/77/455566977.db2.gz WYYQQSQJADESLR-UHFFFAOYSA-N 1 0 331.504 3.301 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000161474115 455573550 /nfs/dbraw/zinc/57/35/50/455573550.db2.gz LBASWDJTXJIJIJ-RRQGHBQHSA-N 1 0 336.501 3.214 20 70 EGIDRO Cc1ccc(OC2CCN(C(=O)[C@]3(C)CCC[NH2+]C3)CC2)cc1C ZINC000161484116 455574815 /nfs/dbraw/zinc/57/48/15/455574815.db2.gz KSDLDUYVHRXONQ-HXUWFJFHSA-N 1 0 330.472 3.063 20 70 EGIDRO C[C@H](NC(C)(C)C[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000161490895 455574916 /nfs/dbraw/zinc/57/49/16/455574916.db2.gz VMNDAQGQSNBNRH-INIZCTEOSA-N 1 0 332.488 3.391 20 70 EGIDRO Cc1c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)cnn1CC(C)C ZINC000159538242 533792874 /nfs/dbraw/zinc/79/28/74/533792874.db2.gz CJWZYQWPPVSPGO-GOSISDBHSA-N 1 0 346.450 3.019 20 70 EGIDRO CS[C@H]1CCCCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000161125241 534084127 /nfs/dbraw/zinc/08/41/27/534084127.db2.gz OOPWZXJNKZKLMD-UONOGXRCSA-N 1 0 341.546 3.278 20 70 EGIDRO C[C@@H](CSC(C)(C)C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160218311 534190244 /nfs/dbraw/zinc/19/02/44/534190244.db2.gz REWIKGCDVMPXGC-AWEZNQCLSA-N 1 0 335.517 3.196 20 70 EGIDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000160281475 534239702 /nfs/dbraw/zinc/23/97/02/534239702.db2.gz CXGLVCZRDYXSIO-DZGCQCFKSA-N 1 0 342.405 3.294 20 70 EGIDRO O=C([C@@H]1C[C@H]1c1cccc(F)c1F)N1CC[NH+](C2CCCC2)CC1 ZINC000160007552 534608852 /nfs/dbraw/zinc/60/88/52/534608852.db2.gz UEIUEYDJNXPTEJ-JKSUJKDBSA-N 1 0 334.410 3.155 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cccc(-c3ccncc3)c1)CC2 ZINC000160576039 534702950 /nfs/dbraw/zinc/70/29/50/534702950.db2.gz KYDYEFKGYMWCCB-KUHUBIRLSA-N 1 0 333.439 3.314 20 70 EGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)cn1 ZINC000160080591 528161803 /nfs/dbraw/zinc/16/18/03/528161803.db2.gz LYHBVRWDRHEYCH-PSLXWICFSA-N 1 0 332.469 3.457 20 70 EGIDRO CCCCNC(=O)c1ccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000160103351 528550655 /nfs/dbraw/zinc/55/06/55/528550655.db2.gz HAGIPBDMJYILGV-LPHOPBHVSA-N 1 0 331.504 3.036 20 70 EGIDRO CCCC[C@H](COC)[NH2+][C@@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159595055 528968079 /nfs/dbraw/zinc/96/80/79/528968079.db2.gz NAMPFDZHSSQIPO-GOEBONIOSA-N 1 0 327.490 3.336 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000159635002 529029177 /nfs/dbraw/zinc/02/91/77/529029177.db2.gz DKKGXXFMPLNQAW-INIZCTEOSA-N 1 0 333.476 3.272 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000159558468 529030005 /nfs/dbraw/zinc/03/00/05/529030005.db2.gz ROARPCZWDSCUTQ-GOSISDBHSA-N 1 0 333.476 3.130 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccc(OC(C)C)c2)CC1 ZINC000159635148 529030799 /nfs/dbraw/zinc/03/07/99/529030799.db2.gz DKKGXXFMPLNQAW-MRXNPFEDSA-N 1 0 333.476 3.272 20 70 EGIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1cccc(Br)c1 ZINC000160525531 537706599 /nfs/dbraw/zinc/70/65/99/537706599.db2.gz DYXFNNPCFWUKSI-HUUCEWRRSA-N 1 0 349.276 3.405 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000160990671 546952253 /nfs/dbraw/zinc/95/22/53/546952253.db2.gz ZWCQNTPTRHZZDV-CQSZACIVSA-N 1 0 347.459 3.441 20 70 EGIDRO C[NH2+]C[C@H](C)C(=O)N[C@@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000160366202 529993646 /nfs/dbraw/zinc/99/36/46/529993646.db2.gz QSZKYNJORBQOGC-WFASDCNBSA-N 1 0 326.868 3.408 20 70 EGIDRO C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218239458 241307462 /nfs/dbraw/zinc/30/74/62/241307462.db2.gz JEQAYTBICYKVEJ-CHWSQXEVSA-N 1 0 325.478 3.441 20 70 EGIDRO O=C1[C@H]([NH2+][C@@H]2CCCc3cc(F)ccc32)CCCN1CC(F)(F)F ZINC000159550610 285003656 /nfs/dbraw/zinc/00/36/56/285003656.db2.gz XUPIWGAHYZLQCG-HUUCEWRRSA-N 1 0 344.352 3.346 20 70 EGIDRO COc1cc(-c2nc(C[N@H+](C)C[C@H]3CCC[C@@H]3O)cs2)ccc1O ZINC000159777757 533454859 /nfs/dbraw/zinc/45/48/59/533454859.db2.gz SBHZDBJDMZLLMK-HIFRSBDPSA-N 1 0 348.468 3.117 20 70 EGIDRO COc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1OCCC(C)C ZINC000159797228 533553476 /nfs/dbraw/zinc/55/34/76/533553476.db2.gz IDSPGLFOSVVDGY-UHFFFAOYSA-N 1 0 348.487 3.208 20 70 EGIDRO C[C@H](CCn1cccn1)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000159428594 225215706 /nfs/dbraw/zinc/21/57/06/225215706.db2.gz HMYZOVRDPWLJHA-CQSZACIVSA-N 1 0 336.867 3.368 20 70 EGIDRO O=C(c1cc2sc(Nc3ccccc3)nc2s1)N1CC[NH2+]CC1 ZINC000159448243 225220076 /nfs/dbraw/zinc/22/00/76/225220076.db2.gz ZVYXRVQGCRJUNJ-UHFFFAOYSA-N 1 0 344.465 3.147 20 70 EGIDRO Cc1ccc(C)c(OCCC(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159792528 225278432 /nfs/dbraw/zinc/27/84/32/225278432.db2.gz FZYVUKNNSJAMIR-UHFFFAOYSA-N 1 0 330.472 3.063 20 70 EGIDRO Cc1cc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1F ZINC000160067162 225330516 /nfs/dbraw/zinc/33/05/16/225330516.db2.gz YPINECZIXRKQEE-UHFFFAOYSA-N 1 0 335.467 3.398 20 70 EGIDRO COCCC1(CNC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000160087508 225335433 /nfs/dbraw/zinc/33/54/33/225335433.db2.gz OZYDDLQUFIWXQO-UHFFFAOYSA-N 1 0 347.503 3.013 20 70 EGIDRO FC(F)(F)c1cccc(OCC[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161333767 225605073 /nfs/dbraw/zinc/60/50/73/225605073.db2.gz ASWMGPVAOFDQRE-UHFFFAOYSA-N 1 0 345.361 3.360 20 70 EGIDRO CC(C)C[C@@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000160558747 264877743 /nfs/dbraw/zinc/87/77/43/264877743.db2.gz XIRMYHYRDGYWHU-DLBZAZTESA-N 1 0 338.879 3.312 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NCc1ccccc1C[NH+](C)C ZINC000160685383 264882304 /nfs/dbraw/zinc/88/23/04/264882304.db2.gz FMRCZXSOHBKOFC-UHFFFAOYSA-N 1 0 328.460 3.236 20 70 EGIDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)Cc1cccc(OC(F)(F)F)c1 ZINC000161430302 264892852 /nfs/dbraw/zinc/89/28/52/264892852.db2.gz OLJHFRWJMQPTMN-ZDUSSCGKSA-N 1 0 344.377 3.118 20 70 EGIDRO C[N@@H+](Cc1ccc(Br)cc1)C[C@@H](O)Cc1ccccc1 ZINC000218686297 266194772 /nfs/dbraw/zinc/19/47/72/266194772.db2.gz ZOFNSMCZOHNAER-KRWDZBQOSA-N 1 0 334.257 3.485 20 70 EGIDRO C[N@@H+](Cc1ccccc1Br)C[C@@H](O)Cc1ccccc1 ZINC000218684808 266195105 /nfs/dbraw/zinc/19/51/05/266195105.db2.gz GYJMECGLXCSDLE-INIZCTEOSA-N 1 0 334.257 3.485 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSCc1ccc(Cl)cc1Cl ZINC000161229949 277276759 /nfs/dbraw/zinc/27/67/59/277276759.db2.gz FDAFTKNTFFLWFE-ZDUSSCGKSA-N 1 0 347.311 3.437 20 70 EGIDRO COCCC1(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCCC1 ZINC000159638495 307876950 /nfs/dbraw/zinc/87/69/50/307876950.db2.gz OHDXPGIGMKYLGB-QGZVFWFLSA-N 1 0 336.451 3.142 20 70 EGIDRO CC(C)(CNC(=O)[C@H]1[NH2+]CCc2ccccc21)c1cccc(F)c1 ZINC000159707724 307878154 /nfs/dbraw/zinc/87/81/54/307878154.db2.gz HNCMGNDBRWPXPM-SFHVURJKSA-N 1 0 326.415 3.107 20 70 EGIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](CCCC)CC2)c1C ZINC000160095902 307884768 /nfs/dbraw/zinc/88/47/68/307884768.db2.gz UGOPCGVAVSFWOV-UHFFFAOYSA-N 1 0 335.496 3.378 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)c1C ZINC000160119813 307885192 /nfs/dbraw/zinc/88/51/92/307885192.db2.gz JUBHFLUPDHIDPA-HNNXBMFYSA-N 1 0 349.504 3.478 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000161144667 307899173 /nfs/dbraw/zinc/89/91/73/307899173.db2.gz WSJYPGHDSLJZFM-CYBMUJFWSA-N 1 0 329.396 3.326 20 70 EGIDRO COc1cc(/C=C/C(=O)NC2CCC(C[NH+](C)C)CC2)ccc1F ZINC000161227976 307900566 /nfs/dbraw/zinc/90/05/66/307900566.db2.gz PVQHLAHBNNCYMN-YRNVUSSQSA-N 1 0 334.435 3.084 20 70 EGIDRO Cc1cc(C(=O)NC[C@@H](c2cccs2)[NH+]2CCC(C)CC2)ncn1 ZINC000161246080 307900819 /nfs/dbraw/zinc/90/08/19/307900819.db2.gz QDWRGGBAQLFNLD-INIZCTEOSA-N 1 0 344.484 3.050 20 70 EGIDRO COc1ccc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)cc1O ZINC000159364543 455372691 /nfs/dbraw/zinc/37/26/91/455372691.db2.gz USIMVKXXEJDKSW-UHFFFAOYSA-N 1 0 328.456 3.401 20 70 EGIDRO Clc1cnc(N2CCC([NH2+]CC3CC3)CC2)c(Br)c1 ZINC000159681738 455395286 /nfs/dbraw/zinc/39/52/86/455395286.db2.gz SJBWKBYHJHRMPN-UHFFFAOYSA-N 1 0 344.684 3.466 20 70 EGIDRO C[C@@H]1CC[C@@H](C)[NH+]1CCN1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000159655700 455393976 /nfs/dbraw/zinc/39/39/76/455393976.db2.gz PQTUIRPVOUFONF-QZTJIDSGSA-N 1 0 349.563 3.220 20 70 EGIDRO CCOc1ccc([C@H](C)[NH2+]C2CCN(CC(F)F)CC2)cc1OC ZINC000159958194 455418619 /nfs/dbraw/zinc/41/86/19/455418619.db2.gz GWMLNSJMLKDQPU-ZDUSSCGKSA-N 1 0 342.430 3.474 20 70 EGIDRO CSCC[C@H](C)N(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000159960031 455418668 /nfs/dbraw/zinc/41/86/68/455418668.db2.gz FQMUXAILYDFXKV-BQFCYCMXSA-N 1 0 349.544 3.290 20 70 EGIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C ZINC000160048307 455423797 /nfs/dbraw/zinc/42/37/97/455423797.db2.gz BTMMONWUBSHBQM-HNAYVOBHSA-N 1 0 330.472 3.148 20 70 EGIDRO CCCCNC(=O)c1ccc(CNC2CC[NH+](CC3CC3)CC2)cc1 ZINC000160100369 455428117 /nfs/dbraw/zinc/42/81/17/455428117.db2.gz IUSPUWZEFXFAGY-UHFFFAOYSA-N 1 0 343.515 3.181 20 70 EGIDRO CO[C@@]1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CCOC1 ZINC000160134941 455431977 /nfs/dbraw/zinc/43/19/77/455431977.db2.gz KBXSRPNCDAJFSK-AVVWSFFYSA-N 1 0 340.261 3.090 20 70 EGIDRO CC(C)c1ccc([C@H](C)CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160387718 455453606 /nfs/dbraw/zinc/45/36/06/455453606.db2.gz FKXBMYQKMGKDMY-YLJYHZDGSA-N 1 0 346.515 3.267 20 70 EGIDRO COC[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Br)C1CC1 ZINC000160405138 455455344 /nfs/dbraw/zinc/45/53/44/455455344.db2.gz LHHFQYKIVMJEJB-SMDDNHRTSA-N 1 0 328.250 3.231 20 70 EGIDRO CC(C)C[C@H](NC(=O)C[NH2+]C[C@@H]1CCCO1)c1ccc(Cl)cc1 ZINC000160558628 455474100 /nfs/dbraw/zinc/47/41/00/455474100.db2.gz XIRMYHYRDGYWHU-IRXDYDNUSA-N 1 0 338.879 3.312 20 70 EGIDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000160683971 455487900 /nfs/dbraw/zinc/48/79/00/455487900.db2.gz LTVGPQITHXZTJX-YGRLFVJLSA-N 1 0 332.341 3.257 20 70 EGIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)NC1(c2ccccc2F)CC1 ZINC000160794158 455498775 /nfs/dbraw/zinc/49/87/75/455498775.db2.gz XVVJUUJHPSIZIU-AWEZNQCLSA-N 1 0 331.435 3.131 20 70 EGIDRO CN(C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCc2ccccc2C1 ZINC000160796061 455499242 /nfs/dbraw/zinc/49/92/42/455499242.db2.gz ITIHDPCSYWQQPM-ICSRJNTNSA-N 1 0 341.499 3.202 20 70 EGIDRO C[C@H]([NH3+])C(=O)N1CCCc2c(NC(=O)CC3CCCCC3)cccc21 ZINC000159489560 455380199 /nfs/dbraw/zinc/38/01/99/455380199.db2.gz MHWJELFNIPBJHD-AWEZNQCLSA-N 1 0 343.471 3.222 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCc2c(OC)ccc3ccccc32)CC1 ZINC000159593207 455388386 /nfs/dbraw/zinc/38/83/86/455388386.db2.gz IVAJNZKFLSFPAF-UHFFFAOYSA-N 1 0 341.455 3.086 20 70 EGIDRO [NH3+]C1(CNC(=O)c2cccc(Oc3nccs3)c2)CCCCC1 ZINC000159683265 455395668 /nfs/dbraw/zinc/39/56/68/455395668.db2.gz BXOCLQCABUSYAG-UHFFFAOYSA-N 1 0 331.441 3.327 20 70 EGIDRO CC(C)OCC[NH+]1CCC(Nc2nc(C(C)(C)C)ns2)CC1 ZINC000159812384 455405763 /nfs/dbraw/zinc/40/57/63/455405763.db2.gz AQPSDCDNBOFUHC-UHFFFAOYSA-N 1 0 326.510 3.137 20 70 EGIDRO CCN(Cc1nc2ccccc2c(=O)[nH]1)CC1=Cc2ccccc2OC1 ZINC000159897417 455413649 /nfs/dbraw/zinc/41/36/49/455413649.db2.gz PCCOODQFNQLHKL-UHFFFAOYSA-N 1 0 347.418 3.221 20 70 EGIDRO COc1cccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)c1 ZINC000160151593 455432764 /nfs/dbraw/zinc/43/27/64/455432764.db2.gz UEAWYPNRHTYXKU-UHFFFAOYSA-N 1 0 327.428 3.175 20 70 EGIDRO COc1ccc([C@H](C)[NH2+]CCN2CCC([NH+](C)C)CC2)cc1Cl ZINC000160192597 455436011 /nfs/dbraw/zinc/43/60/11/455436011.db2.gz OFUBFWQHHKCCDW-AWEZNQCLSA-N 1 0 339.911 3.025 20 70 EGIDRO C[C@@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)[N@@H+]1CCC[C@@H](C)C1 ZINC000160231942 455440929 /nfs/dbraw/zinc/44/09/29/455440929.db2.gz ZBVWRIDIWJQSFN-KGLIPLIRSA-N 1 0 331.435 3.086 20 70 EGIDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@@H]2CCC(=O)C[C@H]2C)CC1 ZINC000160244874 455441996 /nfs/dbraw/zinc/44/19/96/455441996.db2.gz IDDDKNQABQZFME-GQIGUUNPSA-N 1 0 342.483 3.334 20 70 EGIDRO CS[C@@H]1CCC[C@@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000160273550 455443919 /nfs/dbraw/zinc/44/39/19/455443919.db2.gz OVOVTKUCNNYYKL-IXDOHACOSA-N 1 0 339.549 3.321 20 70 EGIDRO COc1cc(OC)c([C@H](C)[NH2+][C@H](CCO)CSC)cc1Cl ZINC000160363214 455450536 /nfs/dbraw/zinc/45/05/36/455450536.db2.gz XOIALCACNPYNMC-WDEREUQCSA-N 1 0 333.881 3.122 20 70 EGIDRO CCC(CC)[N@H+](CCOC)Cc1nnc(-c2ccccc2OC)o1 ZINC000160459853 455461550 /nfs/dbraw/zinc/46/15/50/455461550.db2.gz KAQHYAMFEISKJQ-UHFFFAOYSA-N 1 0 333.432 3.382 20 70 EGIDRO C[C@@H](C(=O)NCc1csc(-c2ccco2)n1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000160521843 455469262 /nfs/dbraw/zinc/46/92/62/455469262.db2.gz JHENZRNNWXBTJL-XQQFMLRXSA-N 1 0 333.457 3.281 20 70 EGIDRO C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1cccc(F)c1 ZINC000160559167 455473619 /nfs/dbraw/zinc/47/36/19/455473619.db2.gz PUKSKDDXWACUTJ-GFCCVEGCSA-N 1 0 325.380 3.089 20 70 EGIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@@H](C)c1nc2ccccc2s1 ZINC000160573041 455475534 /nfs/dbraw/zinc/47/55/34/455475534.db2.gz NKHBHSJBUHAAOZ-NXEZZACHSA-N 1 0 345.390 3.056 20 70 EGIDRO CC(C)COc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160578032 455476399 /nfs/dbraw/zinc/47/63/99/455476399.db2.gz YOOKFTCNCWWBKL-GFCCVEGCSA-N 1 0 332.366 3.051 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000160586476 455477134 /nfs/dbraw/zinc/47/71/34/455477134.db2.gz IDRARHWGICSGSK-KRWDZBQOSA-N 1 0 344.459 3.404 20 70 EGIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](CC)C3CCCC3)nc(N)c21 ZINC000160588698 455477144 /nfs/dbraw/zinc/47/71/44/455477144.db2.gz QABWOYSMBIHITL-UHFFFAOYSA-N 1 0 346.431 3.055 20 70 EGIDRO CCCNC(=O)c1cccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000160588574 455477260 /nfs/dbraw/zinc/47/72/60/455477260.db2.gz YMTHZAPYCOJKFE-ZDUSSCGKSA-N 1 0 326.444 3.084 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000160646115 455484189 /nfs/dbraw/zinc/48/41/89/455484189.db2.gz KJITTXSUUARFKG-SFHVURJKSA-N 1 0 328.460 3.277 20 70 EGIDRO Cc1c(NC(=O)NC2CC[NH+](C)CC2)cnn1-c1cc(C)ccc1C ZINC000160858653 455505591 /nfs/dbraw/zinc/50/55/91/455505591.db2.gz LGZYUPYSNJLMTJ-UHFFFAOYSA-N 1 0 341.459 3.013 20 70 EGIDRO CCCN(CCc1ccccn1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160896060 455510448 /nfs/dbraw/zinc/51/04/48/455510448.db2.gz IEKSKVPZOBSUGQ-SFHVURJKSA-N 1 0 344.503 3.063 20 70 EGIDRO CC(C)C[C@H](C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000160898720 455510950 /nfs/dbraw/zinc/51/09/50/455510950.db2.gz CDZIFHIGUSSHLK-HOTGVXAUSA-N 1 0 332.492 3.341 20 70 EGIDRO CCCn1c(C)nnc1CN1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000160919817 455513391 /nfs/dbraw/zinc/51/33/91/455513391.db2.gz UVEQAEBYFHDCHM-UHFFFAOYSA-N 1 0 347.551 3.329 20 70 EGIDRO CC[N@@H+](Cc1ccc([S@@](C)=O)cc1)C[C@@H]1COc2ccccc2O1 ZINC000160956141 455517663 /nfs/dbraw/zinc/51/76/63/455517663.db2.gz AVBWQSSZNMCCET-GYCJOSAFSA-N 1 0 345.464 3.086 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000160954479 455517850 /nfs/dbraw/zinc/51/78/50/455517850.db2.gz ZCJOXWFVTKDYTJ-GHMZBOCLSA-N 1 0 333.259 3.263 20 70 EGIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)c3cncs3)CC2)cc1 ZINC000160987683 455521069 /nfs/dbraw/zinc/52/10/69/455521069.db2.gz TVTCEDIYHKILND-CQSZACIVSA-N 1 0 329.469 3.407 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCc3cc(Cl)ccc32)cc1 ZINC000161008720 455523250 /nfs/dbraw/zinc/52/32/50/455523250.db2.gz PDMMTFFDCKYKPX-GOSISDBHSA-N 1 0 344.842 3.242 20 70 EGIDRO COc1cc(C2(C(=O)N[C@@H]3CCC[C@H]([NH3+])C3)CCCC2)ccc1C ZINC000161045823 455527014 /nfs/dbraw/zinc/52/70/14/455527014.db2.gz MJMJKCGKKAXJIP-DLBZAZTESA-N 1 0 330.472 3.202 20 70 EGIDRO CCC[N@H+](CCO)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000161203380 455547935 /nfs/dbraw/zinc/54/79/35/455547935.db2.gz SKWOOUGDMFGKDO-UHFFFAOYSA-N 1 0 335.879 3.406 20 70 EGIDRO CC[C@@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1c(C)noc1C ZINC000161228571 455550125 /nfs/dbraw/zinc/55/01/25/455550125.db2.gz GWMZHMMKHDCIFN-XJKSGUPXSA-N 1 0 336.480 3.306 20 70 EGIDRO COc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)cc1N ZINC000161290908 455556500 /nfs/dbraw/zinc/55/65/00/455556500.db2.gz WGMBTNXJANGUIU-SFHVURJKSA-N 1 0 339.439 3.271 20 70 EGIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000161305815 455557576 /nfs/dbraw/zinc/55/75/76/455557576.db2.gz WWQFWGBJESUJOP-QGZVFWFLSA-N 1 0 338.455 3.443 20 70 EGIDRO COCc1cc([C@@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)ccc1OC ZINC000161346963 455561180 /nfs/dbraw/zinc/56/11/80/455561180.db2.gz GGKVCCCYOQRWOC-KUHUBIRLSA-N 1 0 345.439 3.234 20 70 EGIDRO CCOc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)cc1 ZINC000161403948 455567188 /nfs/dbraw/zinc/56/71/88/455567188.db2.gz GQTPHNXIKXASMV-MRXNPFEDSA-N 1 0 326.444 3.003 20 70 EGIDRO COc1ccc(C(C)(C)C(=O)NCC[N@H+](C)Cc2ccccc2)cc1 ZINC000161456930 455571973 /nfs/dbraw/zinc/57/19/73/455571973.db2.gz BKQJZHDRYRMRCF-UHFFFAOYSA-N 1 0 340.467 3.221 20 70 EGIDRO CN1CCC([NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000161460248 455572080 /nfs/dbraw/zinc/57/20/80/455572080.db2.gz ULRKARYPZXHHHU-OAHLLOKOSA-N 1 0 339.277 3.347 20 70 EGIDRO COc1ccc(NC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cn1 ZINC000160003419 534120056 /nfs/dbraw/zinc/12/00/56/534120056.db2.gz OTBIVWAULUITNC-UHFFFAOYSA-N 1 0 346.475 3.255 20 70 EGIDRO O=C(Nc1cccc(CSC2CCOCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000161000195 534343460 /nfs/dbraw/zinc/34/34/60/534343460.db2.gz HDHNZNGZOICANU-HNNXBMFYSA-N 1 0 334.485 3.037 20 70 EGIDRO Cc1nc(Cl)ccc1C(=O)NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000159657819 534429163 /nfs/dbraw/zinc/42/91/63/534429163.db2.gz VBPRXGGLSQBYHL-HNNXBMFYSA-N 1 0 335.810 3.215 20 70 EGIDRO CC(C)(C)c1nsc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)n1 ZINC000160012292 526906840 /nfs/dbraw/zinc/90/68/40/526906840.db2.gz HKMSBJYFVIWCCU-KBPBESRZSA-N 1 0 338.521 3.015 20 70 EGIDRO CCCC(=O)NC[C@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000160218928 527934818 /nfs/dbraw/zinc/93/48/18/527934818.db2.gz MISKGLJSUCRDCF-GOSISDBHSA-N 1 0 332.488 3.256 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@@H]2O)cc1 ZINC000161233802 528651632 /nfs/dbraw/zinc/65/16/32/528651632.db2.gz SLGJYXPXLKDPCC-DLBZAZTESA-N 1 0 334.460 3.073 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]Cc2sc(C)nc2C)cc1 ZINC000159675418 529164295 /nfs/dbraw/zinc/16/42/95/529164295.db2.gz IRNLQVAMWMSCKG-NSHDSACASA-N 1 0 338.498 3.404 20 70 EGIDRO CC[C@H](CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000160141781 529305342 /nfs/dbraw/zinc/30/53/42/529305342.db2.gz AAAVVGVZVPVZNA-HZPDHXFCSA-N 1 0 330.472 3.179 20 70 EGIDRO CN(C)[C@@H](CNC(=O)N1CCOC2(C1)CCCCCC2)c1ccco1 ZINC000160694757 546949732 /nfs/dbraw/zinc/94/97/32/546949732.db2.gz UAMRIQMPOTWEJB-INIZCTEOSA-N 1 0 349.475 3.017 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c(c1)nc(C)n2-c1ccccc1 ZINC000161272008 529990499 /nfs/dbraw/zinc/99/04/99/529990499.db2.gz QRJIVMBRDBQJOF-SFHVURJKSA-N 1 0 348.450 3.158 20 70 EGIDRO C[C@H]([NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218239528 241307871 /nfs/dbraw/zinc/30/78/71/241307871.db2.gz JEQAYTBICYKVEJ-QWHCGFSZSA-N 1 0 325.478 3.441 20 70 EGIDRO COc1ccc(C[NH2+]C2CCC(NC(C)=O)CC2)c(C(F)(F)F)c1 ZINC000161402374 533658243 /nfs/dbraw/zinc/65/82/43/533658243.db2.gz FLZRONBQEUBLRV-UHFFFAOYSA-N 1 0 344.377 3.251 20 70 EGIDRO Cc1cc(C(=O)NCC2CCN(c3cc[nH+]cc3)CC2)cc(Cl)n1 ZINC000159847364 225289681 /nfs/dbraw/zinc/28/96/81/225289681.db2.gz FOMCLPGAVHOZMO-UHFFFAOYSA-N 1 0 344.846 3.085 20 70 EGIDRO CCn1nccc1C[NH2+]C[C@@H](c1ccc(OC)cc1)N1CCCCC1 ZINC000159882662 225295263 /nfs/dbraw/zinc/29/52/63/225295263.db2.gz PIYWKNXWQYBAMB-FQEVSTJZSA-N 1 0 342.487 3.228 20 70 EGIDRO COCC[C@H](Cc1cccc(F)c1)[NH2+]C[C@](C)(O)c1ccsc1 ZINC000159916314 225301284 /nfs/dbraw/zinc/30/12/84/225301284.db2.gz LTIKSJLETBAKCO-MSOLQXFVSA-N 1 0 337.460 3.332 20 70 EGIDRO C[C@H](C(=O)Nc1ccc(Cl)cc1Cl)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159555536 225238589 /nfs/dbraw/zinc/23/85/89/225238589.db2.gz SIAYFCYDZLNVRU-ZETOZRRWSA-N 1 0 345.270 3.413 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)N[C@@H]2CCc3ccccc32)CC1 ZINC000160046432 225326736 /nfs/dbraw/zinc/32/67/36/225326736.db2.gz UMKUXHYPJMECQV-LJQANCHMSA-N 1 0 329.488 3.437 20 70 EGIDRO C[C@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(N2CCCC2=O)cc1 ZINC000160090267 225335733 /nfs/dbraw/zinc/33/57/33/225335733.db2.gz COXXPDSXFQDSIL-LIRRHRJNSA-N 1 0 344.480 3.433 20 70 EGIDRO O=C([C@@H](Oc1ccccc1)c1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159765626 264865377 /nfs/dbraw/zinc/86/53/77/264865377.db2.gz SQUUPRMBOHWNCS-NSHGMRRFSA-N 1 0 336.435 3.160 20 70 EGIDRO CC(C)[N@H+](CCc1nccs1)Cc1cnn(C)c1C(F)(F)F ZINC000159740579 264865874 /nfs/dbraw/zinc/86/58/74/264865874.db2.gz HWUBPZJPDAVTAO-UHFFFAOYSA-N 1 0 332.395 3.349 20 70 EGIDRO CC[NH+](CC)CCNC(=O)Nc1cnn(-c2cc(C)ccc2C)c1C ZINC000160806460 275196073 /nfs/dbraw/zinc/19/60/73/275196073.db2.gz DABPDFWHWNCWQQ-UHFFFAOYSA-N 1 0 343.475 3.261 20 70 EGIDRO COc1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OC(F)F ZINC000159537171 307875570 /nfs/dbraw/zinc/87/55/70/307875570.db2.gz NBZVFJRQVCVOBU-WQVCFCJDSA-N 1 0 339.382 3.344 20 70 EGIDRO COc1ccc(C(C)(C)C(=O)NCc2ccc(C[NH+](C)C)cc2)cc1 ZINC000159642438 307876983 /nfs/dbraw/zinc/87/69/83/307876983.db2.gz OOSFEDOLPXUUHH-UHFFFAOYSA-N 1 0 340.467 3.351 20 70 EGIDRO CCCCn1ncc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000159955236 307882638 /nfs/dbraw/zinc/88/26/38/307882638.db2.gz UDXUCRCZHWDEBZ-MRXNPFEDSA-N 1 0 337.512 3.480 20 70 EGIDRO CC(C)c1ccc(CC2CC[NH+](CCCS(C)(=O)=O)CC2)cc1 ZINC000159951192 307882849 /nfs/dbraw/zinc/88/28/49/307882849.db2.gz YQUDWXHSGBOZFM-UHFFFAOYSA-N 1 0 337.529 3.499 20 70 EGIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1cccc(Br)c1 ZINC000159983840 307883055 /nfs/dbraw/zinc/88/30/55/307883055.db2.gz PVWMZRHBAJSUMC-GFCCVEGCSA-N 1 0 327.266 3.262 20 70 EGIDRO COCCC1(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)CCC1 ZINC000160627211 307892852 /nfs/dbraw/zinc/89/28/52/307892852.db2.gz TYGDJGFTSDANBH-QGZVFWFLSA-N 1 0 339.524 3.003 20 70 EGIDRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160910308 307895855 /nfs/dbraw/zinc/89/58/55/307895855.db2.gz HSWPKBVNPJEFLX-FQEVSTJZSA-N 1 0 338.426 3.279 20 70 EGIDRO O=C([C@@H](Oc1ccc(F)cc1Cl)c1ccccc1)N1CC[NH2+]CC1 ZINC000159376029 455372513 /nfs/dbraw/zinc/37/25/13/455372513.db2.gz NUTLOAUUMSDTSN-KRWDZBQOSA-N 1 0 348.805 3.031 20 70 EGIDRO CN(C)c1cccc(CN(C)CC(=O)NCc2ccc(Cl)cc2)c1 ZINC000159837398 455407707 /nfs/dbraw/zinc/40/77/07/455407707.db2.gz ZYKVLMGTCMCZTM-UHFFFAOYSA-N 1 0 345.874 3.154 20 70 EGIDRO CC1CC[NH+](CCNC(=O)Cc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000159876211 455411712 /nfs/dbraw/zinc/41/17/12/455411712.db2.gz UAGGZXJCHVUHDK-UHFFFAOYSA-N 1 0 333.863 3.212 20 70 EGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1OCc1ccccc1 ZINC000159778474 455404075 /nfs/dbraw/zinc/40/40/75/455404075.db2.gz IMHLDAGOWWMNCA-OALUTQOASA-N 1 0 347.503 3.106 20 70 EGIDRO COc1cc([C@H](C)[NH2+][C@@H](CCO)CSC)ccc1OC(F)F ZINC000160215570 455438849 /nfs/dbraw/zinc/43/88/49/455438849.db2.gz ZPBJCBRGCALEOT-JQWIXIFHSA-N 1 0 335.416 3.061 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCSc3ccc(Cl)cc31)CC2 ZINC000160423955 455457538 /nfs/dbraw/zinc/45/75/38/455457538.db2.gz ZOJMKEMZXQMJBC-GXTWGEPZSA-N 1 0 334.876 3.381 20 70 EGIDRO C[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)[NH+]1[C@H](C)CC[C@H]1C ZINC000160513379 455467536 /nfs/dbraw/zinc/46/75/36/455467536.db2.gz WKLAQCUPAVOTDJ-OAGGEKHMSA-N 1 0 340.471 3.296 20 70 EGIDRO CCOc1ccccc1CNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160832901 455503906 /nfs/dbraw/zinc/50/39/06/455503906.db2.gz CQQHQWJHQWWQER-UHFFFAOYSA-N 1 0 347.503 3.349 20 70 EGIDRO C[N@H+](CCCOc1ccc(S(C)(=O)=O)cc1)CCC1CCCC1 ZINC000159659914 455393545 /nfs/dbraw/zinc/39/35/45/455393545.db2.gz MAOWYCSPEJNVGO-UHFFFAOYSA-N 1 0 339.501 3.371 20 70 EGIDRO C[C@H](CCc1ccc(O)cc1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000159673419 455395073 /nfs/dbraw/zinc/39/50/73/455395073.db2.gz FJJBGXQAYWQYBD-MRXNPFEDSA-N 1 0 347.503 3.229 20 70 EGIDRO CN(C(=O)c1ccc2cc(Br)ccc2c1)[C@@H](C[NH3+])C1CC1 ZINC000159808866 455405796 /nfs/dbraw/zinc/40/57/96/455405796.db2.gz QMFGNQJGNUNKBC-INIZCTEOSA-N 1 0 347.256 3.412 20 70 EGIDRO CN(C)c1cccc(C[N@H+](C)CCC(=O)N2CCc3ccccc32)c1 ZINC000159882279 455412782 /nfs/dbraw/zinc/41/27/82/455412782.db2.gz DOCFIMRTXBCHNH-UHFFFAOYSA-N 1 0 337.467 3.164 20 70 EGIDRO CCCCn1ncc(NC(=O)NCCC[NH+]2CCC(C)CC2)c1C ZINC000159906845 455414478 /nfs/dbraw/zinc/41/44/78/455414478.db2.gz PIGWAEFLERGVQU-UHFFFAOYSA-N 1 0 335.496 3.235 20 70 EGIDRO Cc1noc(C)c1[C@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000159945674 455417548 /nfs/dbraw/zinc/41/75/48/455417548.db2.gz UQZZEPJTELGQKX-XJKSGUPXSA-N 1 0 334.464 3.012 20 70 EGIDRO CCOc1cccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)c1 ZINC000160082858 455427579 /nfs/dbraw/zinc/42/75/79/455427579.db2.gz PSLPIUDQTHYBOB-UHFFFAOYSA-N 1 0 333.476 3.101 20 70 EGIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000160234990 455440379 /nfs/dbraw/zinc/44/03/79/455440379.db2.gz RQCMWXDPXLBNDN-NSHDSACASA-N 1 0 340.267 3.288 20 70 EGIDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@H]1CCc2nc(C)nn2C1 ZINC000160403503 455454878 /nfs/dbraw/zinc/45/48/78/455454878.db2.gz IAWCNSJCKAODKE-FZMZJTMJSA-N 1 0 334.851 3.304 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C)CC2 ZINC000160498209 455466641 /nfs/dbraw/zinc/46/66/41/455466641.db2.gz HPBDJMYZWQBWQK-GWCFXTLKSA-N 1 0 333.505 3.315 20 70 EGIDRO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000160528680 455469213 /nfs/dbraw/zinc/46/92/13/455469213.db2.gz QUGCFJAGANBQPT-APWZRJJASA-N 1 0 330.472 3.145 20 70 EGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000160571667 455475759 /nfs/dbraw/zinc/47/57/59/455475759.db2.gz CISQFHBJNHQAMU-GJZGRUSLSA-N 1 0 336.476 3.077 20 70 EGIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1Br ZINC000160578226 455476271 /nfs/dbraw/zinc/47/62/71/455476271.db2.gz CZKPFIPBGYYEAA-SWLSCSKDSA-N 1 0 349.276 3.405 20 70 EGIDRO CC[N@H+](CC(=O)c1c[nH]c2ccc(C(=O)OC)cc12)C1CCCC1 ZINC000160588833 455477784 /nfs/dbraw/zinc/47/77/84/455477784.db2.gz XXBILPOLMIEERI-UHFFFAOYSA-N 1 0 328.412 3.402 20 70 EGIDRO CC[C@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1F ZINC000160908898 455511734 /nfs/dbraw/zinc/51/17/34/455511734.db2.gz JSFVBOCMUSQGKH-STQMWFEESA-N 1 0 336.304 3.169 20 70 EGIDRO CC(=O)Nc1cccc(NC(=O)NC[C@H]2CCCC[N@H+]2CC(C)C)c1 ZINC000160944718 455516795 /nfs/dbraw/zinc/51/67/95/455516795.db2.gz ZTXARFYYWDCPSL-GOSISDBHSA-N 1 0 346.475 3.277 20 70 EGIDRO CN(C)C(=O)COc1ccccc1C[NH2+][C@H]1CCCc2sccc21 ZINC000160973948 455519376 /nfs/dbraw/zinc/51/93/76/455519376.db2.gz DHPGQCOJCABTOT-INIZCTEOSA-N 1 0 344.480 3.382 20 70 EGIDRO Cc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160969671 455519746 /nfs/dbraw/zinc/51/97/46/455519746.db2.gz BQLCSOPKBKLKOM-DLBZAZTESA-N 1 0 336.435 3.226 20 70 EGIDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnn(-c2cc(C)ccc2C)c1C ZINC000161085828 455531611 /nfs/dbraw/zinc/53/16/11/455531611.db2.gz ZWIKKPDGXMTMNM-QGZVFWFLSA-N 1 0 340.471 3.012 20 70 EGIDRO COc1ccc(OC)c([C@@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000161116020 455535796 /nfs/dbraw/zinc/53/57/96/455535796.db2.gz WAFFVWXGMYXHMC-CYBMUJFWSA-N 1 0 329.396 3.326 20 70 EGIDRO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000161148131 455540297 /nfs/dbraw/zinc/54/02/97/455540297.db2.gz NBAPOQWCOQFMOD-ZDUSSCGKSA-N 1 0 339.277 3.218 20 70 EGIDRO CCC[N@H+](CCO)Cc1cc(C)c(OCc2ccccn2)c(C)c1 ZINC000161201423 455547287 /nfs/dbraw/zinc/54/72/87/455547287.db2.gz PBBISOZYXFNQPM-UHFFFAOYSA-N 1 0 328.456 3.482 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)Nc1cccc(NC(=O)c2ccoc2)c1 ZINC000161203089 455547465 /nfs/dbraw/zinc/54/74/65/455547465.db2.gz OHHVIWTYMIUWGD-UHFFFAOYSA-N 1 0 329.400 3.236 20 70 EGIDRO [NH3+]C1(c2noc(-c3c(F)cccc3Br)n2)CCCC1 ZINC000161246869 455552008 /nfs/dbraw/zinc/55/20/08/455552008.db2.gz FQAICNZCDGAWFP-UHFFFAOYSA-N 1 0 326.169 3.366 20 70 EGIDRO CCC[C@H]1CN(C(=O)Nc2ccc(F)c(C)c2)CC[N@@H+]1CCOC ZINC000161251584 455552178 /nfs/dbraw/zinc/55/21/78/455552178.db2.gz OFKKMRQEOPYWNT-INIZCTEOSA-N 1 0 337.439 3.099 20 70 EGIDRO C[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc(NC(=O)C2CC2)cc1 ZINC000161253081 455553153 /nfs/dbraw/zinc/55/31/53/455553153.db2.gz LTZCVERBZKKNMN-AWEZNQCLSA-N 1 0 344.455 3.371 20 70 EGIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H](C)C2CC2)CC1 ZINC000161278211 455555829 /nfs/dbraw/zinc/55/58/29/455555829.db2.gz ILOVJANUNDHDEE-HUUCEWRRSA-N 1 0 330.476 3.047 20 70 EGIDRO Cc1nnc([C@H]2Cc3ccccc3CN2CCC[NH+]2CCCCC2)o1 ZINC000161291043 455556375 /nfs/dbraw/zinc/55/63/75/455556375.db2.gz GGIDABQGFIIZNW-LJQANCHMSA-N 1 0 340.471 3.353 20 70 EGIDRO Cc1ccccc1CN1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161309561 455558493 /nfs/dbraw/zinc/55/84/93/455558493.db2.gz NKRCFSUNLRKIRZ-UHFFFAOYSA-N 1 0 344.499 3.235 20 70 EGIDRO CC(=O)NC1CCC([NH2+][C@H](c2ccc(F)cc2)[C@@H]2CCCO2)CC1 ZINC000161366641 455562638 /nfs/dbraw/zinc/56/26/38/455562638.db2.gz ZAQPSGPXPNEVIU-WZOJCFFYSA-N 1 0 334.435 3.083 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3c2cccc3C)c1 ZINC000161408911 455567398 /nfs/dbraw/zinc/56/73/98/455567398.db2.gz VGOFDOZPUUOPBY-AUUYWEPGSA-N 1 0 344.480 3.241 20 70 EGIDRO C[C@H](Cc1ccccc1Cl)C(=O)N[C@@H]1CCN(c2ccccn2)C1 ZINC000161473083 455572985 /nfs/dbraw/zinc/57/29/85/455572985.db2.gz FJHPQJPYQOJELB-GDBMZVCRSA-N 1 0 343.858 3.309 20 70 EGIDRO CC[C@@H]([NH3+])C(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000161478348 455574155 /nfs/dbraw/zinc/57/41/55/455574155.db2.gz YKTOXVRZPGLYIJ-IAGOWNOFSA-N 1 0 332.831 3.292 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)N[C@H](C)c2ccccc2)CC1 ZINC000161490767 455574764 /nfs/dbraw/zinc/57/47/64/455574764.db2.gz VVGUTHHOVBLLLS-VNCLNFNDSA-N 1 0 331.504 3.153 20 70 EGIDRO CC1CCC([NH+]2CCN(CC(=O)N(C)[C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000217213886 456030992 /nfs/dbraw/zinc/03/09/92/456030992.db2.gz XGGUPDBTNSHNNF-ZUPWUQBJSA-N 1 0 349.563 3.220 20 70 EGIDRO CC(C)c1ccccc1OCCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000160138996 528201514 /nfs/dbraw/zinc/20/15/14/528201514.db2.gz RXTXOHGGDQOUKB-INIZCTEOSA-N 1 0 330.472 3.179 20 70 EGIDRO CCCCOc1ccc(CC[NH2+]C2CCC(NC(C)=O)CC2)cc1 ZINC000161307501 528670212 /nfs/dbraw/zinc/67/02/12/528670212.db2.gz YMBFZVVUOOHLQV-UHFFFAOYSA-N 1 0 332.488 3.445 20 70 EGIDRO CCOc1ccccc1C[NH2+][C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000160115382 528732851 /nfs/dbraw/zinc/73/28/51/528732851.db2.gz OLOHRLWINLVBHF-CQSZACIVSA-N 1 0 333.453 3.340 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1csc(Cc2ccc(F)cc2)n1 ZINC000160477749 537706228 /nfs/dbraw/zinc/70/62/28/537706228.db2.gz CXEIGJWKZDLASH-UHFFFAOYSA-N 1 0 335.448 3.120 20 70 EGIDRO Cc1nccc(NC(=O)NCC[N@@H+](C)Cc2ccccc2)c1Cl ZINC000159887955 546941686 /nfs/dbraw/zinc/94/16/86/546941686.db2.gz TXYQGJBTSJKMOU-UHFFFAOYSA-N 1 0 332.835 3.297 20 70 EGIDRO CCN(Cc1ccoc1)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160251488 546945978 /nfs/dbraw/zinc/94/59/78/546945978.db2.gz WSLJBOLOKMZRRS-APWZRJJASA-N 1 0 341.455 3.474 20 70 EGIDRO Fc1ccc(-c2cnc(CN3CCN(c4cc[nH+]cc4)CC3)o2)cc1 ZINC000161357070 546954857 /nfs/dbraw/zinc/95/48/57/546954857.db2.gz ALRGQRMXWRLLNR-UHFFFAOYSA-N 1 0 338.386 3.198 20 70 EGIDRO C[C@@H](c1nnc(-c2cccs2)o1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000161367247 546955035 /nfs/dbraw/zinc/95/50/35/546955035.db2.gz OQTCRANWZOGVGV-ZDUSSCGKSA-N 1 0 341.440 3.076 20 70 EGIDRO COc1ccccc1CC(C)(C)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159806255 140946609 /nfs/dbraw/zinc/94/66/09/140946609.db2.gz HTHFWFRKUXUFHP-UHFFFAOYSA-N 1 0 344.499 3.255 20 70 EGIDRO CCCN(CC1CC1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161339433 140970646 /nfs/dbraw/zinc/97/06/46/140970646.db2.gz NOIVIANVVZHQCB-MRXNPFEDSA-N 1 0 344.503 3.439 20 70 EGIDRO Cc1cnn([C@H]2CC[N@H+](Cc3ccccc3)C2)c1NC(=O)c1cc[nH]c1 ZINC000159744439 225271280 /nfs/dbraw/zinc/27/12/80/225271280.db2.gz LHVZIFHDVIXPEL-SFHVURJKSA-N 1 0 349.438 3.219 20 70 EGIDRO C[NH+](C)C[C@@H]1CCN(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000159670563 225257975 /nfs/dbraw/zinc/25/79/75/225257975.db2.gz ASQSFOUYYNPXHZ-LBPRGKRZSA-N 1 0 337.439 3.472 20 70 EGIDRO C[C@H](C[NH2+][C@@H](C)[C@@H]1CCOC1)Oc1ccccc1Br ZINC000160374260 225399775 /nfs/dbraw/zinc/39/97/75/225399775.db2.gz JANAALFGUZDKLF-FRRDWIJNSA-N 1 0 328.250 3.231 20 70 EGIDRO COCC(C)(C)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000160075401 225331893 /nfs/dbraw/zinc/33/18/93/225331893.db2.gz UTCLPRBLYVSZBW-UHFFFAOYSA-N 1 0 334.460 3.162 20 70 EGIDRO Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161229432 225580217 /nfs/dbraw/zinc/58/02/17/225580217.db2.gz PMQNHNRYIFLOKV-UHFFFAOYSA-N 1 0 341.455 3.264 20 70 EGIDRO [NH3+]C1(CNC(=O)CCc2ccccc2OC(F)(F)F)CCCCC1 ZINC000159679920 264863052 /nfs/dbraw/zinc/86/30/52/264863052.db2.gz KRHFBNUUOSGGCO-UHFFFAOYSA-N 1 0 344.377 3.296 20 70 EGIDRO c1ccc([C@H]2OCCC[C@@H]2C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161355324 275068851 /nfs/dbraw/zinc/06/88/51/275068851.db2.gz YQXBUWKGWVWXSW-IEBWSBKVSA-N 1 0 331.456 3.430 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000159968219 279286821 /nfs/dbraw/zinc/28/68/21/279286821.db2.gz YYNLUZVYUKMILX-QGZVFWFLSA-N 1 0 344.503 3.085 20 70 EGIDRO CN(C(=O)c1ccc2cc(Br)ccc2c1)[C@@H]1CC[NH2+]C1 ZINC000159647090 281883006 /nfs/dbraw/zinc/88/30/06/281883006.db2.gz SPZWJJOVKBRTGL-OAHLLOKOSA-N 1 0 333.229 3.036 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000161234507 282072349 /nfs/dbraw/zinc/07/23/49/282072349.db2.gz ROBUDZMFIAULAE-SWLSCSKDSA-N 1 0 326.868 3.297 20 70 EGIDRO O=C(CC1CCCCCC1)NC1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000160471974 307890122 /nfs/dbraw/zinc/89/01/22/307890122.db2.gz IEGSIJPIKMJZIP-RBUKOAKNSA-N 1 0 336.520 3.231 20 70 EGIDRO CC[C@@H](C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1)[NH+](C)C ZINC000160487693 307890590 /nfs/dbraw/zinc/89/05/90/307890590.db2.gz MDBFUZBLNYKMBI-HNNXBMFYSA-N 1 0 329.400 3.119 20 70 EGIDRO C[C@H](CC1CCCC1)C(=O)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160499199 307890734 /nfs/dbraw/zinc/89/07/34/307890734.db2.gz SXRCMQFBJAKISD-MNEFBYGVSA-N 1 0 336.520 3.087 20 70 EGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCOc1cccc2ccccc21 ZINC000160815348 307895001 /nfs/dbraw/zinc/89/50/01/307895001.db2.gz XMCGVTVSETZSOF-MRXNPFEDSA-N 1 0 328.456 3.455 20 70 EGIDRO Cc1ccc(C)c([C@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000160893863 307895722 /nfs/dbraw/zinc/89/57/22/307895722.db2.gz SEZHZCRBDLHZFV-INIZCTEOSA-N 1 0 347.480 3.437 20 70 EGIDRO CS[C@H](C)CC(=O)N(CC[NH+](C)C)Cc1cccc(Cl)c1 ZINC000161503864 307903564 /nfs/dbraw/zinc/90/35/64/307903564.db2.gz SJCSYVMLKJHSNQ-CYBMUJFWSA-N 1 0 328.909 3.372 20 70 EGIDRO CCOc1c(OC)cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159503169 455381062 /nfs/dbraw/zinc/38/10/62/455381062.db2.gz PCZQEXMYTNAKPC-KYNGSXCRSA-N 1 0 347.455 3.150 20 70 EGIDRO CCCCn1ncc(NC(=O)N[C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)c1C ZINC000159610143 455389302 /nfs/dbraw/zinc/38/93/02/455389302.db2.gz HKEMKIGRNJBCQS-OWCLPIDISA-N 1 0 349.523 3.480 20 70 EGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000160382817 455452572 /nfs/dbraw/zinc/45/25/72/455452572.db2.gz CRKSLPWQFKZCQF-INIZCTEOSA-N 1 0 342.487 3.017 20 70 EGIDRO COC(=O)[C@H](C)Oc1ccc(C[N@H+](C)Cc2ccccc2OC)cc1 ZINC000160425216 455457063 /nfs/dbraw/zinc/45/70/63/455457063.db2.gz JUGFJZGEIFSWKY-HNNXBMFYSA-N 1 0 343.423 3.268 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)c2nn(-c3ccccc3Cl)cc2C)CC1 ZINC000160424117 455457117 /nfs/dbraw/zinc/45/71/17/455457117.db2.gz SQOUDROMAKNWIO-UHFFFAOYSA-N 1 0 346.862 3.002 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000160423392 455457444 /nfs/dbraw/zinc/45/74/44/455457444.db2.gz CBGUENWLBVDABD-QWHCGFSZSA-N 1 0 344.377 3.322 20 70 EGIDRO C[C@@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(OCc2nccn2C)cc1 ZINC000160511994 455467392 /nfs/dbraw/zinc/46/73/92/455467392.db2.gz RCGXSROEHMUURL-SUMDDJOVSA-N 1 0 343.471 3.201 20 70 EGIDRO OCCC[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000160705829 455490049 /nfs/dbraw/zinc/49/00/49/455490049.db2.gz GCMAGUBEGDQHOJ-INIZCTEOSA-N 1 0 330.394 3.117 20 70 EGIDRO Clc1cc(Cl)cc(OCCN2CC[NH+](CC3CC3)CC2)c1 ZINC000159405779 455375348 /nfs/dbraw/zinc/37/53/48/455375348.db2.gz VSZLTDCNVGXZOS-UHFFFAOYSA-N 1 0 329.271 3.400 20 70 EGIDRO CCS[C@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000159441151 455376997 /nfs/dbraw/zinc/37/69/97/455376997.db2.gz JOAAFTNIFDSDLA-QRTARXTBSA-N 1 0 331.489 3.377 20 70 EGIDRO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159472341 455379009 /nfs/dbraw/zinc/37/90/09/455379009.db2.gz MJYHMYWLPIQPQG-BBRMVZONSA-N 1 0 331.412 3.202 20 70 EGIDRO Cc1nn(-c2ccccc2)cc1C(=O)NCC[NH2+]C1CCCCCC1 ZINC000159679471 455395802 /nfs/dbraw/zinc/39/58/02/455395802.db2.gz WEGRUADROMWOON-UHFFFAOYSA-N 1 0 340.471 3.223 20 70 EGIDRO Cc1n[nH]cc1C[NH2+]Cc1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC000159884986 455412716 /nfs/dbraw/zinc/41/27/16/455412716.db2.gz DCSAMZCHQACJMB-UHFFFAOYSA-N 1 0 338.386 3.399 20 70 EGIDRO CCCCn1ncc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)c1C ZINC000159924690 455415448 /nfs/dbraw/zinc/41/54/48/455415448.db2.gz XDWGWFJHTJVMBS-KRWDZBQOSA-N 1 0 344.459 3.152 20 70 EGIDRO CC[C@H]([NH3+])C(=O)Nc1nc(-c2cc(Br)cs2)cs1 ZINC000159945443 455417556 /nfs/dbraw/zinc/41/75/56/455417556.db2.gz FRMRGUPJQRTREO-ZETCQYMHSA-N 1 0 346.275 3.310 20 70 EGIDRO CO[C@@]1(C[NH2+]C2CC(c3cccc(Br)c3)C2)CCOC1 ZINC000160088692 455427306 /nfs/dbraw/zinc/42/73/06/455427306.db2.gz IKTZILLYMQDXPK-AVVWSFFYSA-N 1 0 340.261 3.090 20 70 EGIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000160275460 455444043 /nfs/dbraw/zinc/44/40/43/455444043.db2.gz DDAKUOHWPKUUDV-OAHLLOKOSA-N 1 0 345.462 3.478 20 70 EGIDRO CC1CC[NH+](C[C@H]2CCCN(Cc3cnc4ccccn34)C2)CC1 ZINC000160433894 455457916 /nfs/dbraw/zinc/45/79/16/455457916.db2.gz DOSZSLQVRFWSKA-GOSISDBHSA-N 1 0 326.488 3.278 20 70 EGIDRO Cc1cc(C)c(Br)c(C(=O)N(C)[C@H]2CCC[N@H+](C)C2)c1 ZINC000160462240 455462456 /nfs/dbraw/zinc/46/24/56/455462456.db2.gz MQFUPXNKVMISTN-ZDUSSCGKSA-N 1 0 339.277 3.232 20 70 EGIDRO COC(=O)[C@@H](C)Oc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000160471718 455463735 /nfs/dbraw/zinc/46/37/35/455463735.db2.gz CTKUOONNHMICDG-CQSZACIVSA-N 1 0 331.387 3.398 20 70 EGIDRO CC(C)[NH2+]C1CCN([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000160500576 455466653 /nfs/dbraw/zinc/46/66/53/455466653.db2.gz HBXPGQBVYQTQDN-HNNXBMFYSA-N 1 0 328.460 3.184 20 70 EGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1cccnc1N1CCCC1 ZINC000160534840 455470828 /nfs/dbraw/zinc/47/08/28/455470828.db2.gz OKTQRNHYGBUOAF-UHFFFAOYSA-N 1 0 347.507 3.268 20 70 EGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccnn1Cc1cccs1 ZINC000160540814 455471925 /nfs/dbraw/zinc/47/19/25/455471925.db2.gz DSCVPSDOJFFJBR-HOCLYGCPSA-N 1 0 344.484 3.196 20 70 EGIDRO C[C@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160584106 455477111 /nfs/dbraw/zinc/47/71/11/455477111.db2.gz SOEVOWLCMGJDPA-WCFLWFBJSA-N 1 0 343.254 3.114 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2OCc2ccc(Cl)cc2)C1 ZINC000160650237 455484145 /nfs/dbraw/zinc/48/41/45/455484145.db2.gz JANQVICZXOUXIQ-INIZCTEOSA-N 1 0 344.842 3.353 20 70 EGIDRO Cc1ccc(C(=O)CC[NH2+][C@](C)(C(N)=O)c2cccc(Cl)c2)cc1 ZINC000160663156 455485963 /nfs/dbraw/zinc/48/59/63/455485963.db2.gz UNQNHKDLENQNKR-IBGZPJMESA-N 1 0 344.842 3.212 20 70 EGIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000160678109 455487182 /nfs/dbraw/zinc/48/71/82/455487182.db2.gz FMONYBLLZWOVMC-INIZCTEOSA-N 1 0 349.425 3.123 20 70 EGIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCC[C@@H]1c1ccco1 ZINC000160746681 455494650 /nfs/dbraw/zinc/49/46/50/455494650.db2.gz BRQKRVAWITVGCB-IAGOWNOFSA-N 1 0 331.460 3.391 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H](C)c1ccccc1OCc1ccccc1 ZINC000160928724 455515127 /nfs/dbraw/zinc/51/51/27/455515127.db2.gz CYQUYMYHUSBEEJ-INIZCTEOSA-N 1 0 326.440 3.441 20 70 EGIDRO CC[C@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000160951562 455517671 /nfs/dbraw/zinc/51/76/71/455517671.db2.gz DBLZBCGXMLGLKF-KHYOSLBOSA-N 1 0 330.472 3.214 20 70 EGIDRO C[C@@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000161003882 455523587 /nfs/dbraw/zinc/52/35/87/455523587.db2.gz MFJPDWWRXDFFQX-PBHICJAKSA-N 1 0 329.465 3.471 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc3ccccc3n2)cc1 ZINC000161013487 455524268 /nfs/dbraw/zinc/52/42/68/455524268.db2.gz MPITZIDXLRRNSS-OAHLLOKOSA-N 1 0 349.434 3.210 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2Br)C1 ZINC000161113229 455534663 /nfs/dbraw/zinc/53/46/63/455534663.db2.gz RAEVNUVGUGIIDY-VHSXEESVSA-N 1 0 331.641 3.102 20 70 EGIDRO COCc1c(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)sc2cccc(F)c21 ZINC000161117105 455535780 /nfs/dbraw/zinc/53/57/80/455535780.db2.gz HYCJVEHHHIMNER-QWRGUYRKSA-N 1 0 336.432 3.187 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000161114218 455535926 /nfs/dbraw/zinc/53/59/26/455535926.db2.gz XTEYDJWTMCRNEX-UHFFFAOYSA-N 1 0 328.378 3.096 20 70 EGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000161188149 455545323 /nfs/dbraw/zinc/54/53/23/455545323.db2.gz DAWPNNNIAIAVIU-QFBILLFUSA-N 1 0 329.488 3.338 20 70 EGIDRO CCC[N@H+](CCO)Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000161197568 455546825 /nfs/dbraw/zinc/54/68/25/455546825.db2.gz PFIASTMWNPGKBE-MRXNPFEDSA-N 1 0 327.852 3.102 20 70 EGIDRO Cc1nc2c(s1)[C@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000161207809 455548395 /nfs/dbraw/zinc/54/83/95/455548395.db2.gz IHUYNBLUSUTUTE-IUODEOHRSA-N 1 0 329.469 3.123 20 70 EGIDRO CC[NH+]1CCC(N(C)C(=O)c2cnc(-c3ccccc3)nc2C)CC1 ZINC000161233139 455550502 /nfs/dbraw/zinc/55/05/02/455550502.db2.gz YJDVAEPRBHXXIL-UHFFFAOYSA-N 1 0 338.455 3.008 20 70 EGIDRO COc1cccc([C@H](O)C[NH2+][C@H]2CSCCc3ccccc32)c1 ZINC000161353939 455562001 /nfs/dbraw/zinc/56/20/01/455562001.db2.gz TYWYIPBCXLVDOU-RBUKOAKNSA-N 1 0 329.465 3.349 20 70 EGIDRO CC(C)Oc1cccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000161396697 455565491 /nfs/dbraw/zinc/56/54/91/455565491.db2.gz ZKLAZRWAMLJWPG-QGZVFWFLSA-N 1 0 340.471 3.391 20 70 EGIDRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161422948 455568641 /nfs/dbraw/zinc/56/86/41/455568641.db2.gz KWYLJZCGZORQAN-CABCVRRESA-N 1 0 347.459 3.181 20 70 EGIDRO CC[C@H]1CCCC[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000161423499 455569906 /nfs/dbraw/zinc/56/99/06/455569906.db2.gz NNVZNRFJANDULN-WMLDXEAASA-N 1 0 325.474 3.027 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000161455604 455572316 /nfs/dbraw/zinc/57/23/16/455572316.db2.gz SWAIVFRCISMMPO-KPZWWZAWSA-N 1 0 348.443 3.072 20 70 EGIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161464638 455572929 /nfs/dbraw/zinc/57/29/29/455572929.db2.gz JDHIBTGINQLRRM-UGFHNGPFSA-N 1 0 328.378 3.270 20 70 EGIDRO CCOCCC1(C(=O)N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000161507744 455576512 /nfs/dbraw/zinc/57/65/12/455576512.db2.gz JERGIDIDZHFYHZ-LJQANCHMSA-N 1 0 344.499 3.364 20 70 EGIDRO C[N@H+](CCCSc1ccccc1Cl)CCN1CCOCC1 ZINC000217183703 456030828 /nfs/dbraw/zinc/03/08/28/456030828.db2.gz AEWIYGSKJGCILP-UHFFFAOYSA-N 1 0 328.909 3.086 20 70 EGIDRO C[C@@H]1CCN(C(=O)c2cccc3nc[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000159748926 534012125 /nfs/dbraw/zinc/01/21/25/534012125.db2.gz LLWQLYRMSGGHGT-MRXNPFEDSA-N 1 0 348.450 3.300 20 70 EGIDRO CS[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000159498037 534055269 /nfs/dbraw/zinc/05/52/69/534055269.db2.gz LTMFHAVWGQZMLJ-BFYDXBDKSA-N 1 0 335.517 3.090 20 70 EGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)cn1 ZINC000160104549 528163087 /nfs/dbraw/zinc/16/30/87/528163087.db2.gz NINFWUMOKRBPBJ-OAHLLOKOSA-N 1 0 337.427 3.300 20 70 EGIDRO CCOc1cc(CNC(=O)C(CC)(CC)C[NH3+])ccc1OC(F)F ZINC000161175336 528268965 /nfs/dbraw/zinc/26/89/65/528268965.db2.gz PNALLTNCWPCIOO-UHFFFAOYSA-N 1 0 344.402 3.068 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2ccc(OC(F)F)cc2)CC1 ZINC000161097143 528276764 /nfs/dbraw/zinc/27/67/64/528276764.db2.gz BOUNXLQORVIBCA-VMPITWQZSA-N 1 0 338.398 3.149 20 70 EGIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)c1nnc(C)o1 ZINC000160085950 528349394 /nfs/dbraw/zinc/34/93/94/528349394.db2.gz JCCSWUGDRHAXJG-CQSZACIVSA-N 1 0 329.448 3.073 20 70 EGIDRO CCOc1ccc2c(c1)[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)CCO2 ZINC000159948569 528623299 /nfs/dbraw/zinc/62/32/99/528623299.db2.gz XFUNLYOONOFWNQ-SJLPKXTDSA-N 1 0 333.453 3.468 20 70 EGIDRO CCOCCC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000159639074 528628454 /nfs/dbraw/zinc/62/84/54/528628454.db2.gz YBJXYCLXTNYNLL-LJQANCHMSA-N 1 0 344.499 3.364 20 70 EGIDRO C[C@H](CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000160538167 546947262 /nfs/dbraw/zinc/94/72/62/546947262.db2.gz UNJMPAZRJNFGHI-SJORKVTESA-N 1 0 325.456 3.212 20 70 EGIDRO COc1cc(C[NH2+][C@H]2CCOC(C)(C)C2)c(Br)cc1O ZINC000160526605 546947442 /nfs/dbraw/zinc/94/74/42/546947442.db2.gz BBFUWCDWZAAVPQ-NSHDSACASA-N 1 0 344.249 3.211 20 70 EGIDRO COCCC1(C(=O)NC[C@@H](c2cccc(OC)c2)[NH+](C)C)CCCC1 ZINC000159644825 533182817 /nfs/dbraw/zinc/18/28/17/533182817.db2.gz DBSLBDWOPUUQFP-SFHVURJKSA-N 1 0 348.487 3.011 20 70 EGIDRO [NH3+]C[C@H]1CCN(C(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000159644497 140943702 /nfs/dbraw/zinc/94/37/02/140943702.db2.gz KOBZMQXNOBZMAH-LLVKDONJSA-N 1 0 333.229 3.023 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(Br)s1)CC2 ZINC000160368458 225398453 /nfs/dbraw/zinc/39/84/53/225398453.db2.gz ZSKAKCBESKRMCZ-PSASIEDQSA-N 1 0 341.278 3.076 20 70 EGIDRO CC(C)C[NH+]1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)on2)CC1 ZINC000218087776 266194600 /nfs/dbraw/zinc/19/46/00/266194600.db2.gz JQBMGDGEMYEYSI-UHFFFAOYSA-N 1 0 347.846 3.409 20 70 EGIDRO CCOCCC1(C[NH2+][C@@H](C(=O)NC2CC2)c2ccc(F)cc2)CCC1 ZINC000159965420 279683204 /nfs/dbraw/zinc/68/32/04/279683204.db2.gz FFHMOBGRDUSSAS-GOSISDBHSA-N 1 0 348.462 3.332 20 70 EGIDRO CC[C@H](CC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000159378432 307872832 /nfs/dbraw/zinc/87/28/32/307872832.db2.gz BEYKRISEBOPBRE-DLBZAZTESA-N 1 0 332.488 3.427 20 70 EGIDRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159414743 307873602 /nfs/dbraw/zinc/87/36/02/307873602.db2.gz WTFOJIMXLJTYRP-GASCZTMLSA-N 1 0 345.443 3.224 20 70 EGIDRO CC[C@H](C)OCC(=O)NC[C@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000159654557 307877369 /nfs/dbraw/zinc/87/73/69/307877369.db2.gz ZDPLVQWDJUJSGX-FUHWJXTLSA-N 1 0 348.487 3.154 20 70 EGIDRO C[NH+](C)Cc1ccc(C(=O)Nc2ccc(Br)cc2O)cc1 ZINC000160138006 307885296 /nfs/dbraw/zinc/88/52/96/307885296.db2.gz JVWKASSWTZATHV-UHFFFAOYSA-N 1 0 349.228 3.469 20 70 EGIDRO CCCNC(=O)c1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160227730 307886749 /nfs/dbraw/zinc/88/67/49/307886749.db2.gz WZLJXPCAJGWXNA-UHFFFAOYSA-N 1 0 339.439 3.140 20 70 EGIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]C[C@@H]1CCc2ccccc21 ZINC000160978454 307896797 /nfs/dbraw/zinc/89/67/97/307896797.db2.gz ZEIFCOBRYCMQPH-OCCSQVGLSA-N 1 0 334.261 3.354 20 70 EGIDRO C[C@H](CNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F)C[NH+]1CCCCC1 ZINC000161210737 307900190 /nfs/dbraw/zinc/90/01/90/307900190.db2.gz PTJZTTHOSGFOSG-BMFZPTHFSA-N 1 0 336.426 3.307 20 70 EGIDRO O[C@H](C1CC[NH+](CCCOCCc2ccccc2)CC1)C(F)(F)F ZINC000161344796 307901489 /nfs/dbraw/zinc/90/14/89/307901489.db2.gz IJLKHXOPDIXTMC-QGZVFWFLSA-N 1 0 345.405 3.271 20 70 EGIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000159508818 455381538 /nfs/dbraw/zinc/38/15/38/455381538.db2.gz ZDSNAWOMQKFKFE-DZGCQCFKSA-N 1 0 342.405 3.342 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000159830026 455407849 /nfs/dbraw/zinc/40/78/49/455407849.db2.gz UONJSYBLLJCUEN-CYBMUJFWSA-N 1 0 338.521 3.239 20 70 EGIDRO COc1ccc(C(=O)N2CCC([NH2+][C@H]3CCC[C@@H]3C)CC2)c(OC)c1 ZINC000159981377 455420576 /nfs/dbraw/zinc/42/05/76/455420576.db2.gz DBKTZCRBKZGORA-KSSFIOAISA-N 1 0 346.471 3.087 20 70 EGIDRO O=C(C[C@@H]1CSCCS1)NC1CC[NH+](C2CCCCC2)CC1 ZINC000160032319 455423321 /nfs/dbraw/zinc/42/33/21/455423321.db2.gz HSHZTZRULAZYNM-MRXNPFEDSA-N 1 0 342.574 3.138 20 70 EGIDRO CN(CCCOc1ccccc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160044451 455424150 /nfs/dbraw/zinc/42/41/50/455424150.db2.gz MCCMHBPSEGATDI-UHFFFAOYSA-N 1 0 326.440 3.289 20 70 EGIDRO [NH3+]C[C@H]1CCCN1C(=O)CCCCc1ccc(Br)cc1 ZINC000160173548 455434202 /nfs/dbraw/zinc/43/42/02/455434202.db2.gz OVJRONHTELDSIV-OAHLLOKOSA-N 1 0 339.277 3.112 20 70 EGIDRO O=C1[C@@H](N2CC[C@H]([NH+]3CCCC3)C2)CCCN1c1ccccc1Cl ZINC000160337850 455449346 /nfs/dbraw/zinc/44/93/46/455449346.db2.gz NRPUPMPTRJFIHY-YJBOKZPZSA-N 1 0 347.890 3.006 20 70 EGIDRO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000160771350 455497072 /nfs/dbraw/zinc/49/70/72/455497072.db2.gz SRUSQXQRADKHLL-KYJSFNMBSA-N 1 0 334.891 3.461 20 70 EGIDRO CCC[C@@H]1CN(C(=O)Nc2ccc3[nH]ccc3c2)CC[N@@H+]1CCOC ZINC000160776024 455497193 /nfs/dbraw/zinc/49/71/93/455497193.db2.gz WHFLVIFVMWTHBO-QGZVFWFLSA-N 1 0 344.459 3.133 20 70 EGIDRO C[C@@H]([NH2+]Cc1cn2ccccc2n1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000159408304 455374828 /nfs/dbraw/zinc/37/48/28/455374828.db2.gz OCHYWTVMXQRCKJ-CYBMUJFWSA-N 1 0 334.423 3.415 20 70 EGIDRO C[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C[C@@H]1CCC[C@@H]1O ZINC000159469698 455379471 /nfs/dbraw/zinc/37/94/71/455379471.db2.gz KJHIRSMXCUAZEM-XOBRGWDASA-N 1 0 343.446 3.093 20 70 EGIDRO CCOc1ccc(OCCCC(=O)NCC2([NH3+])CCCCC2)cc1 ZINC000159486008 455380383 /nfs/dbraw/zinc/38/03/83/455380383.db2.gz AGENNHIHTKXCGB-UHFFFAOYSA-N 1 0 334.460 3.022 20 70 EGIDRO CCC(=O)N1CC[C@H]([NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000159820394 455406566 /nfs/dbraw/zinc/40/65/66/455406566.db2.gz DEXAYKKMBHINGN-RISCZKNCSA-N 1 0 325.250 3.111 20 70 EGIDRO COC[C@H](O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000159842664 455409313 /nfs/dbraw/zinc/40/93/13/455409313.db2.gz GDMUUIRQNQVBLY-CQSZACIVSA-N 1 0 339.794 3.368 20 70 EGIDRO O=C(CCOc1cccc(Cl)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159853306 455409960 /nfs/dbraw/zinc/40/99/60/455409960.db2.gz SODAULIJLWAEAN-UHFFFAOYSA-N 1 0 336.863 3.100 20 70 EGIDRO CCCCNC(=O)[C@@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000159884695 455412571 /nfs/dbraw/zinc/41/25/71/455412571.db2.gz ROHIURKATYLZTP-GOSISDBHSA-N 1 0 332.488 3.256 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+][C@H](CCO)CSC)cc1Br ZINC000160152438 455432875 /nfs/dbraw/zinc/43/28/75/455432875.db2.gz WYWXMYAPISAMJY-ZYHUDNBSSA-N 1 0 348.306 3.222 20 70 EGIDRO C[C@H]([NH2+]CCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1 ZINC000160285528 455444898 /nfs/dbraw/zinc/44/48/98/455444898.db2.gz MBAOLODTHBJPDT-INIZCTEOSA-N 1 0 344.890 3.208 20 70 EGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000160296027 455446360 /nfs/dbraw/zinc/44/63/60/455446360.db2.gz GEPCDUVNKDFXGK-BXUZGUMPSA-N 1 0 337.514 3.278 20 70 EGIDRO CCOCCC[N@@H+]1CCC[C@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160448097 455460112 /nfs/dbraw/zinc/46/01/12/455460112.db2.gz PLODQBMQEOGQJF-OAHLLOKOSA-N 1 0 337.439 3.086 20 70 EGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCOc1cccc(C(F)(F)F)c1 ZINC000160503296 455467028 /nfs/dbraw/zinc/46/70/28/455467028.db2.gz CZVXMFJHPFJOIS-OAHLLOKOSA-N 1 0 339.361 3.485 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCc3c1ccc(Cl)c3Cl)CC2 ZINC000160569138 455475396 /nfs/dbraw/zinc/47/53/96/455475396.db2.gz IUQROGIHAQAJJD-YGRLFVJLSA-N 1 0 337.254 3.485 20 70 EGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(N(C)C)cc2F)c1 ZINC000160597045 455477940 /nfs/dbraw/zinc/47/79/40/455477940.db2.gz LKEMZSNVLLZBBA-UHFFFAOYSA-N 1 0 343.446 3.273 20 70 EGIDRO CNS(=O)(=O)c1cccc(C[NH2+][C@H](C)c2cc(C)ccc2C)c1 ZINC000160742087 455493610 /nfs/dbraw/zinc/49/36/10/455493610.db2.gz FEPNJNQCJCDIAT-OAHLLOKOSA-N 1 0 332.469 3.062 20 70 EGIDRO Cc1nc(-c2ccccc2F)sc1[C@H](C)[NH2+]CC(=O)NC(C)C ZINC000160922368 455514040 /nfs/dbraw/zinc/51/40/40/455514040.db2.gz OKDOCFHKEGQUKM-NSHDSACASA-N 1 0 335.448 3.433 20 70 EGIDRO CC(C)[C@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161032935 455525630 /nfs/dbraw/zinc/52/56/30/455525630.db2.gz OYOXEAATQUDWTC-ZDUSSCGKSA-N 1 0 341.293 3.432 20 70 EGIDRO COCCC1(C(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)CC1 ZINC000161075692 455531010 /nfs/dbraw/zinc/53/10/10/455531010.db2.gz DQPCVSRAGKXLRI-UHFFFAOYSA-N 1 0 344.499 3.496 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000161075735 455531178 /nfs/dbraw/zinc/53/11/78/455531178.db2.gz IXMAMWHESLAIDA-KGLIPLIRSA-N 1 0 340.471 3.473 20 70 EGIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000161091016 455532171 /nfs/dbraw/zinc/53/21/71/455532171.db2.gz JQZOTXIKOMZLBP-ILXRZTDVSA-N 1 0 347.894 3.444 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000161096000 455532992 /nfs/dbraw/zinc/53/29/92/455532992.db2.gz JZHLCFZHLCVNII-MNOVXSKESA-N 1 0 331.243 3.148 20 70 EGIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cnn(Cc2ccccc2)c1 ZINC000161107598 455533665 /nfs/dbraw/zinc/53/36/65/455533665.db2.gz CJQXKJIKEBPTLQ-DBVUQKKJSA-N 1 0 326.488 3.455 20 70 EGIDRO Cc1ccc(C(=O)NC[C@H](CC(C)C)[NH+](C)C)c(Br)c1 ZINC000161152767 455540841 /nfs/dbraw/zinc/54/08/41/455540841.db2.gz WNOVCUHTZFKRNW-ZDUSSCGKSA-N 1 0 341.293 3.464 20 70 EGIDRO COC(=O)C1(c2ccccc2)CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161161844 455542174 /nfs/dbraw/zinc/54/21/74/455542174.db2.gz ROJZSPWMDWOQST-UHFFFAOYSA-N 1 0 344.499 3.069 20 70 EGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000161188265 455545558 /nfs/dbraw/zinc/54/55/58/455545558.db2.gz DAWPNNNIAIAVIU-LPHOPBHVSA-N 1 0 329.488 3.338 20 70 EGIDRO c1ccc([C@@H](CN2CCCC2)[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161204016 455547815 /nfs/dbraw/zinc/54/78/15/455547815.db2.gz UFSYKMPPEVQDQE-LJQANCHMSA-N 1 0 330.472 3.099 20 70 EGIDRO CCC[N@H+](CCO)Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000161218571 455549697 /nfs/dbraw/zinc/54/96/97/455549697.db2.gz PURFRYXVTXLECE-UHFFFAOYSA-N 1 0 335.879 3.406 20 70 EGIDRO Cc1nn(C)cc1C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000161231917 455550323 /nfs/dbraw/zinc/55/03/23/455550323.db2.gz WUWFPKMMRYFXLE-CYBMUJFWSA-N 1 0 327.407 3.213 20 70 EGIDRO C[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000161233678 455551299 /nfs/dbraw/zinc/55/12/99/455551299.db2.gz ZTMWCKQSYKZAPX-IUODEOHRSA-N 1 0 339.277 3.105 20 70 EGIDRO C[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000161233557 455551365 /nfs/dbraw/zinc/55/13/65/455551365.db2.gz ZTMWCKQSYKZAPX-SWLSCSKDSA-N 1 0 339.277 3.105 20 70 EGIDRO Cc1nc(-c2ccc(F)cc2)sc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161239867 455551640 /nfs/dbraw/zinc/55/16/40/455551640.db2.gz QYOJMXAYKCSJAM-UONOGXRCSA-N 1 0 333.432 3.257 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000161267206 455553968 /nfs/dbraw/zinc/55/39/68/455553968.db2.gz YDBFIURXQXFMLP-AWEZNQCLSA-N 1 0 329.444 3.299 20 70 EGIDRO c1cc2c(c([C@@H]3CCCN3CCC[NH+]3CCCCC3)c1)OCCO2 ZINC000161323054 455559307 /nfs/dbraw/zinc/55/93/07/455559307.db2.gz DPGRAWCZTJGEHF-SFHVURJKSA-N 1 0 330.472 3.471 20 70 EGIDRO C[C@@]1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCC[NH2+]C1 ZINC000161360502 455563192 /nfs/dbraw/zinc/56/31/92/455563192.db2.gz AKTDHJCHTWLQRG-QGZVFWFLSA-N 1 0 333.432 3.201 20 70 EGIDRO CCN(CCCNC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000161471847 455572951 /nfs/dbraw/zinc/57/29/51/455572951.db2.gz MYAWHUKSNDTBFD-INIZCTEOSA-N 1 0 333.476 3.160 20 70 EGIDRO CC(C)c1ccc([C@H](NC(=O)C[N@H+](CCO)C(C)C)C(C)C)cc1 ZINC000216654953 456030398 /nfs/dbraw/zinc/03/03/98/456030398.db2.gz BZQRPIGGOFLVQP-HXUWFJFHSA-N 1 0 334.504 3.326 20 70 EGIDRO CC1(C)C[C@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000160488071 527744561 /nfs/dbraw/zinc/74/45/61/527744561.db2.gz WRLANNBZLYSRKL-LLVKDONJSA-N 1 0 342.233 3.225 20 70 EGIDRO CC1(C)C[C@H]([NH2+]Cc2cnc3ccc(Br)cn23)CCO1 ZINC000160442014 527745986 /nfs/dbraw/zinc/74/59/86/527745986.db2.gz KXXVTGVPIHEVDT-GFCCVEGCSA-N 1 0 338.249 3.144 20 70 EGIDRO CCOc1ccc2c(c1)[C@H]([NH2+]C[C@](C)(O)c1ccsc1)CCO2 ZINC000159948367 528623051 /nfs/dbraw/zinc/62/30/51/528623051.db2.gz XFUNLYOONOFWNQ-AEFFLSMTSA-N 1 0 333.453 3.468 20 70 EGIDRO COc1cc2c(cc1C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)O[C@H](C)C2 ZINC000159537456 536891738 /nfs/dbraw/zinc/89/17/38/536891738.db2.gz HPANASUEORSUKR-VBRXXALCSA-N 1 0 329.440 3.066 20 70 EGIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C[C@@H](C)c2ccncc2)c1 ZINC000160430457 546946854 /nfs/dbraw/zinc/94/68/54/546946854.db2.gz IDGYHXBIJSLYES-GOSISDBHSA-N 1 0 339.483 3.474 20 70 EGIDRO CC[NH+](CC)CCCNC(=O)NC[C@@H](OC)c1ccccc1Cl ZINC000160662392 546949896 /nfs/dbraw/zinc/94/98/96/546949896.db2.gz UONBUCDFIFAXOC-MRXNPFEDSA-N 1 0 341.883 3.059 20 70 EGIDRO C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160878802 546951040 /nfs/dbraw/zinc/95/10/40/546951040.db2.gz CONOFFKTQPVBFX-MDOVXXIYSA-N 1 0 340.467 3.108 20 70 EGIDRO O=C(NC[C@@H]1CCc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159597851 283982252 /nfs/dbraw/zinc/98/22/52/283982252.db2.gz QMGBBXCHPFQSCP-OALUTQOASA-N 1 0 341.499 3.376 20 70 EGIDRO COCCC1(C(=O)NC[C@H](c2cccc(OC)c2)[NH+](C)C)CCCC1 ZINC000159644953 533183143 /nfs/dbraw/zinc/18/31/43/533183143.db2.gz DBSLBDWOPUUQFP-GOSISDBHSA-N 1 0 348.487 3.011 20 70 EGIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(Br)s1 ZINC000159492624 533381395 /nfs/dbraw/zinc/38/13/95/533381395.db2.gz RXDSZMXMGKFRDL-SNVBAGLBSA-N 1 0 331.279 3.174 20 70 EGIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1cccc(OC(F)(F)F)c1 ZINC000159579724 533382102 /nfs/dbraw/zinc/38/21/02/533382102.db2.gz PRWHIZLWNRLZQS-GFCCVEGCSA-N 1 0 330.350 3.248 20 70 EGIDRO O=C(Cc1c[nH]c2ccc(Cl)cc12)NCC[NH+]1CCCCCC1 ZINC000159652106 140943308 /nfs/dbraw/zinc/94/33/08/140943308.db2.gz CGFYPNNQUJKQNZ-UHFFFAOYSA-N 1 0 333.863 3.356 20 70 EGIDRO COc1ccc([C@H](C)[C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000159707859 286371051 /nfs/dbraw/zinc/37/10/51/286371051.db2.gz FCDMPKWILBSIEK-VFVRVIDISA-N 1 0 330.403 3.143 20 70 EGIDRO O=C([C@H]1C[C@]12CCCc1ccccc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000159824787 304468312 /nfs/dbraw/zinc/46/83/12/304468312.db2.gz WTPABXCIIQFRQJ-IRLDBZIGSA-N 1 0 338.495 3.271 20 70 EGIDRO COCCN(C)CC[NH2+][C@H](C)c1sc(-c2ccccc2)nc1C ZINC000159398974 225210484 /nfs/dbraw/zinc/21/04/84/225210484.db2.gz ZQXDABAOZDBHIS-CQSZACIVSA-N 1 0 333.501 3.347 20 70 EGIDRO C[C@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Oc1ccccc1 ZINC000159934616 225305444 /nfs/dbraw/zinc/30/54/44/225305444.db2.gz BPYDVUZEFXEGJB-QZTJIDSGSA-N 1 0 345.487 3.114 20 70 EGIDRO C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](O)c1ccccc1Cl ZINC000159594008 225244868 /nfs/dbraw/zinc/24/48/68/225244868.db2.gz BDDCOZVMIMMNNE-WMLDXEAASA-N 1 0 338.879 3.144 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cc(C)ccc1OC(F)F)CC2 ZINC000160377294 225398897 /nfs/dbraw/zinc/39/88/97/225398897.db2.gz CCLKQBNQOPTHQL-WCQYABFASA-N 1 0 336.386 3.162 20 70 EGIDRO COc1ccc2cc([C@H](C)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000159821541 264865907 /nfs/dbraw/zinc/86/59/07/264865907.db2.gz DISBITPADNNCOK-ZOCIIQOWSA-N 1 0 338.451 3.305 20 70 EGIDRO Cc1nc2c(s1)[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)CCC2 ZINC000161175131 279116795 /nfs/dbraw/zinc/11/67/95/279116795.db2.gz CKMLHMLRDIKTHZ-AWEZNQCLSA-N 1 0 345.516 3.369 20 70 EGIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161453872 279377802 /nfs/dbraw/zinc/37/78/02/279377802.db2.gz OISOVVIZPMWNGT-WBMJQRKESA-N 1 0 328.378 3.142 20 70 EGIDRO CCOC(=O)N(C)C1CC[NH+](CCCc2cccc(OC)c2)CC1 ZINC000160318392 307888001 /nfs/dbraw/zinc/88/80/01/307888001.db2.gz WMSHDDKKIAZAMB-UHFFFAOYSA-N 1 0 334.460 3.181 20 70 EGIDRO CC[C@H](C(=O)Nc1ccc(NC(=O)c2ccco2)c(C)c1)[NH+](C)C ZINC000160487780 307890465 /nfs/dbraw/zinc/89/04/65/307890465.db2.gz MDBFUZBLNYKMBI-OAHLLOKOSA-N 1 0 329.400 3.119 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2Br)C1 ZINC000161113319 455534583 /nfs/dbraw/zinc/53/45/83/455534583.db2.gz RAEVNUVGUGIIDY-UWVGGRQHSA-N 1 0 331.641 3.102 20 70 EGIDRO CCCC[N@H+](C)CC1CCN(C(=O)c2cnn(CC(C)C)c2C)CC1 ZINC000159541000 455384386 /nfs/dbraw/zinc/38/43/86/455384386.db2.gz FIWBWXMKPQRZEL-UHFFFAOYSA-N 1 0 348.535 3.432 20 70 EGIDRO CN(C)c1ccc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)c(F)c1 ZINC000159660445 455393634 /nfs/dbraw/zinc/39/36/34/455393634.db2.gz QHWSCCOVASTWBT-GOSISDBHSA-N 1 0 347.409 3.064 20 70 EGIDRO O=C(NCC1(Sc2ccccc2)CC1)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000159703672 455397138 /nfs/dbraw/zinc/39/71/38/455397138.db2.gz ATEGQZCWPNGTSP-GOSISDBHSA-N 1 0 338.476 3.142 20 70 EGIDRO Cc1noc(C)c1[C@@H](C)NC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000159945523 455417944 /nfs/dbraw/zinc/41/79/44/455417944.db2.gz UQZZEPJTELGQKX-CZUORRHYSA-N 1 0 334.464 3.012 20 70 EGIDRO C[NH+]1CCC(Oc2ccc(NCc3cccc4c[nH]nc43)cn2)CC1 ZINC000160164412 455433869 /nfs/dbraw/zinc/43/38/69/455433869.db2.gz QJIPPDOMLCCPJQ-UHFFFAOYSA-N 1 0 337.427 3.043 20 70 EGIDRO [NH3+]C[C@@H]1CCCN1C(=O)CCCCc1ccc(Br)cc1 ZINC000160173636 455434046 /nfs/dbraw/zinc/43/40/46/455434046.db2.gz OVJRONHTELDSIV-HNNXBMFYSA-N 1 0 339.277 3.112 20 70 EGIDRO C[C@H]([NH2+][C@@H]1CCSC1)c1cc2c(cc1Br)OCCO2 ZINC000160834217 455503633 /nfs/dbraw/zinc/50/36/33/455503633.db2.gz JOUHUAHDMRNZBB-VHSXEESVSA-N 1 0 344.274 3.376 20 70 EGIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)Nc2cnn(CCC(C)C)c2C)C1 ZINC000159500306 455380005 /nfs/dbraw/zinc/38/00/05/455380005.db2.gz GQBPOTSEOXEKTF-INIZCTEOSA-N 1 0 335.496 3.091 20 70 EGIDRO CC[NH+](CC)Cc1ccc(CNC(=O)C2(CCOC)CCC2)cc1 ZINC000159553616 455384927 /nfs/dbraw/zinc/38/49/27/455384927.db2.gz DFZKCRWTKIVJMT-UHFFFAOYSA-N 1 0 332.488 3.351 20 70 EGIDRO CN(Cc1ccc(Br)c2cccnc12)[C@@H](C[NH3+])C1CC1 ZINC000159699947 455396805 /nfs/dbraw/zinc/39/68/05/455396805.db2.gz ZKXHJHQEROROGR-HNNXBMFYSA-N 1 0 334.261 3.166 20 70 EGIDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2cscn2)CC1)c1ccccc1 ZINC000159907141 455414631 /nfs/dbraw/zinc/41/46/31/455414631.db2.gz WNJJNDDGVNETKA-SFHVURJKSA-N 1 0 343.496 3.418 20 70 EGIDRO Cc1[nH]nc(C(C)C)c1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000159941150 455417496 /nfs/dbraw/zinc/41/74/96/455417496.db2.gz MZIDESGKNRRLHV-KRWDZBQOSA-N 1 0 340.471 3.236 20 70 EGIDRO CC[C@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160070406 455426077 /nfs/dbraw/zinc/42/60/77/455426077.db2.gz DVWYGPLZDQGNAR-GJZGRUSLSA-N 1 0 332.492 3.351 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1C ZINC000160109256 455429753 /nfs/dbraw/zinc/42/97/53/455429753.db2.gz SXZIDICXUWRDAF-MRXNPFEDSA-N 1 0 335.496 3.091 20 70 EGIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1occc1-c1ccc(F)cc1 ZINC000160139884 455431426 /nfs/dbraw/zinc/43/14/26/455431426.db2.gz UZJCIUHVPQTDGL-CYBMUJFWSA-N 1 0 328.387 3.300 20 70 EGIDRO Fc1ccc(-c2noc([C@@H]3CCC[N@H+](CCOCC4CC4)C3)n2)cc1 ZINC000160149895 455433332 /nfs/dbraw/zinc/43/33/32/455433332.db2.gz OOMBVYDRTKCINI-MRXNPFEDSA-N 1 0 345.418 3.482 20 70 EGIDRO C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)[C@H]2CCC(=O)C[C@H]2C)CC1 ZINC000160244640 455441907 /nfs/dbraw/zinc/44/19/07/455441907.db2.gz IDDDKNQABQZFME-GUXCAODWSA-N 1 0 342.483 3.334 20 70 EGIDRO CCOc1ccc(Cl)cc1[C@H](C)[NH2+][C@@H]1CCc2nc(C)nn2C1 ZINC000160403319 455454942 /nfs/dbraw/zinc/45/49/42/455454942.db2.gz IAWCNSJCKAODKE-SMDDNHRTSA-N 1 0 334.851 3.304 20 70 EGIDRO COC(=O)c1sc(N2CCC[C@H]2C[NH+]2CCCCC2)nc1Cl ZINC000160438161 455458781 /nfs/dbraw/zinc/45/87/81/455458781.db2.gz WEOYSPCHYBEBDR-NSHDSACASA-N 1 0 343.880 3.038 20 70 EGIDRO CC(C)S(=O)(=O)CCCN(C)Cc1ccc(Br)cc1 ZINC000160525426 455469355 /nfs/dbraw/zinc/46/93/55/455469355.db2.gz OIRPAEHPJVOKMB-UHFFFAOYSA-N 1 0 348.306 3.094 20 70 EGIDRO COc1ccc([C@@H](C)CCNC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000160556589 455473998 /nfs/dbraw/zinc/47/39/98/455473998.db2.gz DYTWECWNDVPFGL-YWZLYKJASA-N 1 0 338.451 3.192 20 70 EGIDRO C[C@H]([NH2+]CC(C)(C)O)c1ccc(OC(F)F)cc1OC(F)F ZINC000160641792 455483518 /nfs/dbraw/zinc/48/35/18/455483518.db2.gz OPFQOCXYXZNMPT-QMMMGPOBSA-N 1 0 325.302 3.311 20 70 EGIDRO Cc1ccc(C(=O)CC[NH2+][C@@](C)(C(N)=O)c2cccc(Cl)c2)cc1 ZINC000160663275 455485677 /nfs/dbraw/zinc/48/56/77/455485677.db2.gz UNQNHKDLENQNKR-LJQANCHMSA-N 1 0 344.842 3.212 20 70 EGIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000160726251 455492102 /nfs/dbraw/zinc/49/21/02/455492102.db2.gz SVISXFGBVNKZCL-APWZRJJASA-N 1 0 326.415 3.368 20 70 EGIDRO Cc1c([C@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C(C)C)cnn1-c1ccccn1 ZINC000160798123 455500108 /nfs/dbraw/zinc/50/01/08/455500108.db2.gz GRFDSIWKIJYWEQ-URLQWDBASA-N 1 0 328.460 3.287 20 70 EGIDRO C[C@H]1CCN(Cc2cnc3ccccn23)CC[N@@H+]1Cc1ccccc1 ZINC000160893970 455509771 /nfs/dbraw/zinc/50/97/71/455509771.db2.gz SARFUSZEHSFVEF-SFHVURJKSA-N 1 0 334.467 3.431 20 70 EGIDRO C[C@@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000160898926 455511091 /nfs/dbraw/zinc/51/10/91/455511091.db2.gz LWGIYEAREZUBCU-OXQOHEQNSA-N 1 0 336.439 3.432 20 70 EGIDRO CCC(CC)n1ncc(C(=O)N[C@@H](C)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000160925661 455513939 /nfs/dbraw/zinc/51/39/39/455513939.db2.gz VEABMZPMRKXBTQ-GJZGRUSLSA-N 1 0 334.508 3.403 20 70 EGIDRO CCOc1ccccc1[C@@H](C)[NH2+]CC(=O)NCc1ccc(OC)cc1 ZINC000161007348 455523176 /nfs/dbraw/zinc/52/31/76/455523176.db2.gz HPRZLZGPGDFGNW-OAHLLOKOSA-N 1 0 342.439 3.061 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2nc(-c3ccco3)sc2C)CC1 ZINC000161038274 455525834 /nfs/dbraw/zinc/52/58/34/455525834.db2.gz ABPFFKQWECIDHJ-UHFFFAOYSA-N 1 0 333.457 3.173 20 70 EGIDRO CC(C)CCOc1ccccc1CNC(=O)[C@H]1CCn2ccnc2C1 ZINC000161120303 455536132 /nfs/dbraw/zinc/53/61/32/455536132.db2.gz VENKECLJGAPSDW-INIZCTEOSA-N 1 0 341.455 3.187 20 70 EGIDRO Cc1ccc(C(=O)NC2CC[NH+](C(C)C)CC2)c(Br)c1 ZINC000161116221 455536364 /nfs/dbraw/zinc/53/63/64/455536364.db2.gz OMYSUHOMGDZKRJ-UHFFFAOYSA-N 1 0 339.277 3.360 20 70 EGIDRO Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)c(Br)c1 ZINC000161167784 455542960 /nfs/dbraw/zinc/54/29/60/455542960.db2.gz WCBKILAMECHZAW-UHFFFAOYSA-N 1 0 339.277 3.362 20 70 EGIDRO COc1cc(OC)c(NC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1F ZINC000161209705 455548367 /nfs/dbraw/zinc/54/83/67/455548367.db2.gz XGOKGRASNLCQTL-PIGZYNQJSA-N 1 0 332.375 3.118 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000161208974 455548815 /nfs/dbraw/zinc/54/88/15/455548815.db2.gz SMSHOCXYVUUDBD-QGZVFWFLSA-N 1 0 343.475 3.354 20 70 EGIDRO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161232655 455550522 /nfs/dbraw/zinc/55/05/22/455550522.db2.gz GSOPOUOGPKKLBO-HUUCEWRRSA-N 1 0 340.471 3.170 20 70 EGIDRO COCCOc1ccc([C@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1OC ZINC000161254804 455552990 /nfs/dbraw/zinc/55/29/90/455552990.db2.gz QHJGOOHHLIRQPK-GJZGRUSLSA-N 1 0 337.460 3.186 20 70 EGIDRO [NH3+]C1(CC(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)CCC1 ZINC000161322320 455559287 /nfs/dbraw/zinc/55/92/87/455559287.db2.gz CCXSQLYXASXCJY-UHFFFAOYSA-N 1 0 326.362 3.472 20 70 EGIDRO Cc1nc(CC(=O)NCC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)s1 ZINC000161357108 455562028 /nfs/dbraw/zinc/56/20/28/455562028.db2.gz NIFXPDFXXCAQIP-STQMWFEESA-N 1 0 337.533 3.175 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2sccc2C)c1 ZINC000161441399 455570114 /nfs/dbraw/zinc/57/01/14/455570114.db2.gz JPFXZSOSPVJABP-STQMWFEESA-N 1 0 338.498 3.376 20 70 EGIDRO COCc1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000161483584 455573715 /nfs/dbraw/zinc/57/37/15/455573715.db2.gz BJBDPRXRZGLZAM-UHFFFAOYSA-N 1 0 331.460 3.315 20 70 EGIDRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C)cc1C ZINC000217141940 456031072 /nfs/dbraw/zinc/03/10/72/456031072.db2.gz OVKVIDTZSPSVTE-YPMHNXCESA-N 1 0 338.473 3.340 20 70 EGIDRO COc1ccc(Br)cc1CN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000217664319 456033254 /nfs/dbraw/zinc/03/32/54/456033254.db2.gz PHXKKBYAGILBDN-CABCVRRESA-N 1 0 339.277 3.174 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccc(Br)s1)CC2 ZINC000160368594 534703813 /nfs/dbraw/zinc/70/38/13/534703813.db2.gz ZSKAKCBESKRMCZ-SCZZXKLOSA-N 1 0 341.278 3.076 20 70 EGIDRO CC[N@@H+]1CC[C@@H](NCc2c(C)nn(-c3ccccc3)c2C)[C@H](C)C1 ZINC000159839944 527802774 /nfs/dbraw/zinc/80/27/74/527802774.db2.gz APEWIJIQONJMQI-FOIQADDNSA-N 1 0 326.488 3.309 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ccc(OC)cc2)C(C)C)CC1 ZINC000159558612 529031083 /nfs/dbraw/zinc/03/10/83/529031083.db2.gz ROARPCZWDSCUTQ-SFHVURJKSA-N 1 0 333.476 3.130 20 70 EGIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)Cc1csc(-c2ccoc2)n1 ZINC000160246678 529272835 /nfs/dbraw/zinc/27/28/35/529272835.db2.gz RWONPVJRJJSDPG-MRXNPFEDSA-N 1 0 347.484 3.326 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)NC[C@H]2Cc3ccccc32)CC1 ZINC000160828065 546950750 /nfs/dbraw/zinc/95/07/50/546950750.db2.gz OSASKVHFNLNQQD-GOSISDBHSA-N 1 0 329.488 3.090 20 70 EGIDRO C[C@@H](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccncc1 ZINC000161224748 546953065 /nfs/dbraw/zinc/95/30/65/546953065.db2.gz ACXGLIVTNMGFCF-INIZCTEOSA-N 1 0 329.488 3.489 20 70 EGIDRO Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000161468411 546955724 /nfs/dbraw/zinc/95/57/24/546955724.db2.gz MHGBHTKCCIFVIY-GOSISDBHSA-N 1 0 338.455 3.076 20 70 EGIDRO CCCCn1ncc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)c1C ZINC000159732799 140945790 /nfs/dbraw/zinc/94/57/90/140945790.db2.gz XIGNNNPVEFJPHA-UHFFFAOYSA-N 1 0 335.496 3.376 20 70 EGIDRO COc1ccc([C@H](C)[NH2+][C@H](CCO)CSC)cc1Br ZINC000160152304 140953456 /nfs/dbraw/zinc/95/34/56/140953456.db2.gz WYWXMYAPISAMJY-CMPLNLGQSA-N 1 0 348.306 3.222 20 70 EGIDRO O=C(NC[C@H]1CCc2ccccc21)C1(c2ccccc2)CC[NH2+]CC1 ZINC000159731766 225268216 /nfs/dbraw/zinc/26/82/16/225268216.db2.gz BYQOZQPIQNMIPU-GOSISDBHSA-N 1 0 334.463 3.154 20 70 EGIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](c3nnc4ccccn43)C2)cc1 ZINC000159758729 225272530 /nfs/dbraw/zinc/27/25/30/225272530.db2.gz NMRJKNBDNWLOPK-SFHVURJKSA-N 1 0 348.450 3.490 20 70 EGIDRO CO[C@@H](CNC(=O)N1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000160152107 225349779 /nfs/dbraw/zinc/34/97/79/225349779.db2.gz GAYJGVXPNFRSOY-IBGZPJMESA-N 1 0 347.503 3.138 20 70 EGIDRO CCN1CCCC[C@@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000161205477 276157741 /nfs/dbraw/zinc/15/77/41/276157741.db2.gz BYVJNQCYYUGEDH-BQIYRTECSA-N 1 0 341.499 3.283 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000161208157 278424859 /nfs/dbraw/zinc/42/48/59/278424859.db2.gz RCHZRQKUTPLULA-CVEARBPZSA-N 1 0 330.476 3.049 20 70 EGIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000159991657 307883488 /nfs/dbraw/zinc/88/34/88/307883488.db2.gz GGCAJMVTVUQBSO-LBPRGKRZSA-N 1 0 332.366 3.398 20 70 EGIDRO Fc1cc2ncnc(N3CCC[C@@H]3C[NH+]3CCCCC3)c2cc1F ZINC000160460914 307890237 /nfs/dbraw/zinc/89/02/37/307890237.db2.gz JSJSWOQECNPSEY-CYBMUJFWSA-N 1 0 332.398 3.363 20 70 EGIDRO CCC(CC)n1ncc(C(=O)NC[C@H](C)C[NH+]2CCCCC2)c1C ZINC000160527370 307891104 /nfs/dbraw/zinc/89/11/04/307891104.db2.gz OWLYXYQIQOBTBM-HNNXBMFYSA-N 1 0 334.508 3.404 20 70 EGIDRO C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1c(F)cccc1F ZINC000160926927 307896155 /nfs/dbraw/zinc/89/61/55/307896155.db2.gz QULJURFGWVXNKN-DYVFJYSZSA-N 1 0 332.394 3.487 20 70 EGIDRO C[C@@H](COc1ccc(F)cc1F)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161001738 307897395 /nfs/dbraw/zinc/89/73/95/307897395.db2.gz SZSJQGGWVQXPHS-ZDUSSCGKSA-N 1 0 348.393 3.224 20 70 EGIDRO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cnn1CC(C)C ZINC000161018360 307897648 /nfs/dbraw/zinc/89/76/48/307897648.db2.gz JJABVLCVRMHZBV-KXBFYZLASA-N 1 0 334.508 3.088 20 70 EGIDRO CCc1nc(-c2ccccc2NC(=O)C2CC[NH+](C(C)C)CC2)n[nH]1 ZINC000161069111 307898132 /nfs/dbraw/zinc/89/81/32/307898132.db2.gz DLUSBEVBQWHPBD-UHFFFAOYSA-N 1 0 341.459 3.093 20 70 EGIDRO O=C(CCCOc1ccc2c(c1)CCC2)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000161330423 307901515 /nfs/dbraw/zinc/90/15/15/307901515.db2.gz JYWXXEOFNWERQF-LJQANCHMSA-N 1 0 342.483 3.031 20 70 EGIDRO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000159505344 455381266 /nfs/dbraw/zinc/38/12/66/455381266.db2.gz JBWMJIKJVWISSH-HZPDHXFCSA-N 1 0 340.471 3.082 20 70 EGIDRO CCCCn1ncc(NC(=O)N2CC[C@@H](C[N@H+](C)CCC)C2)c1C ZINC000159662199 455393748 /nfs/dbraw/zinc/39/37/48/455393748.db2.gz DQOGFDJXUPWLJS-INIZCTEOSA-N 1 0 335.496 3.187 20 70 EGIDRO Cc1ccc(NC(=O)CN2CCO[C@@]3(CCc4ccccc43)C2)cc1 ZINC000159672420 455394267 /nfs/dbraw/zinc/39/42/67/455394267.db2.gz HSCRIYHTARXGQT-NRFANRHFSA-N 1 0 336.435 3.107 20 70 EGIDRO O=C([C@H](Oc1ccccc1)c1ccccc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159765711 455401902 /nfs/dbraw/zinc/40/19/02/455401902.db2.gz SQUUPRMBOHWNCS-WSTZPKSXSA-N 1 0 336.435 3.160 20 70 EGIDRO CCn1nccc1C[NH2+]C[C@@H](C(C)C)N1CCc2ccccc2C1 ZINC000159925598 455415779 /nfs/dbraw/zinc/41/57/79/455415779.db2.gz WZSKUSXZJNMWAO-FQEVSTJZSA-N 1 0 326.488 3.076 20 70 EGIDRO CCC[C@@H](C)[NH2+]C1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000159985691 455420114 /nfs/dbraw/zinc/42/01/14/455420114.db2.gz YCYAIFQYFSFZTB-CQSZACIVSA-N 1 0 334.460 3.087 20 70 EGIDRO CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000160048702 455423740 /nfs/dbraw/zinc/42/37/40/455423740.db2.gz OGJKZOGOUHZOMC-UTUOFQBUSA-N 1 0 327.266 3.403 20 70 EGIDRO C[NH+]1CCC(Oc2ccc(NCc3ccc4c(c3)CCO4)cn2)CC1 ZINC000160172028 455434034 /nfs/dbraw/zinc/43/40/34/455434034.db2.gz LSEJCGLYGDIIFR-UHFFFAOYSA-N 1 0 339.439 3.102 20 70 EGIDRO CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000160182642 455435554 /nfs/dbraw/zinc/43/55/54/455435554.db2.gz YCOOZOQMQLDDJV-ONGXEEELSA-N 1 0 336.270 3.353 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(-c3ccncc3)c1)CC2 ZINC000160575924 455476818 /nfs/dbraw/zinc/47/68/18/455476818.db2.gz KYDYEFKGYMWCCB-AUUYWEPGSA-N 1 0 333.439 3.314 20 70 EGIDRO CC[C@H]([NH2+]Cc1ccc(N2CCCCCC2)nc1)c1cnn(C)c1 ZINC000160518737 455468738 /nfs/dbraw/zinc/46/87/38/455468738.db2.gz VDIRYOTYJBCWFH-SFHVURJKSA-N 1 0 327.476 3.436 20 70 EGIDRO CCn1cc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160759376 455495917 /nfs/dbraw/zinc/49/59/17/455495917.db2.gz YMVPGYLWYMCEND-ZWOKBUDYSA-N 1 0 326.488 3.464 20 70 EGIDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCCc1c[nH]c2ccccc12 ZINC000159393679 455374418 /nfs/dbraw/zinc/37/44/18/455374418.db2.gz OTQUKBICABLHKJ-IBGZPJMESA-N 1 0 342.487 3.082 20 70 EGIDRO CC[C@H](NC(=O)NC[C@@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000159447210 455377235 /nfs/dbraw/zinc/37/72/35/455377235.db2.gz WWEAOACRLSOMMX-LRDDRELGSA-N 1 0 325.403 3.057 20 70 EGIDRO COc1ccccc1Oc1ccc(CNC(=O)CC[NH2+]C(C)C)cc1 ZINC000159535685 455383409 /nfs/dbraw/zinc/38/34/09/455383409.db2.gz VENDJYPKBDQGSE-UHFFFAOYSA-N 1 0 342.439 3.492 20 70 EGIDRO CCCCn1ncc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)c1C ZINC000159637814 455391827 /nfs/dbraw/zinc/39/18/27/455391827.db2.gz NCMAYRJBZSKDAF-UHFFFAOYSA-N 1 0 335.496 3.422 20 70 EGIDRO O=C(NCC[NH2+]C1CCCCCC1)[C@H]1C[C@H]1c1ccc(F)cc1F ZINC000159682475 455395427 /nfs/dbraw/zinc/39/54/27/455395427.db2.gz HQDFIYFTRFQMFW-IRXDYDNUSA-N 1 0 336.426 3.497 20 70 EGIDRO C[C@@H](C(=O)N1CCc2ccccc21)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159841592 455408939 /nfs/dbraw/zinc/40/89/39/455408939.db2.gz LNESJKYNKKEIBY-INIZCTEOSA-N 1 0 337.467 3.162 20 70 EGIDRO O=C(c1csc(-c2cccc(Cl)c2)n1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159933195 455416512 /nfs/dbraw/zinc/41/65/12/455416512.db2.gz JMGLEGCCAICESZ-OKILXGFUSA-N 1 0 347.871 3.430 20 70 EGIDRO COc1ccccc1-c1nnc(C[N@H+](C[C@@H](C)O)C2CCCCC2)o1 ZINC000160314653 455447396 /nfs/dbraw/zinc/44/73/96/455447396.db2.gz BZCAGKWEEVBTFD-CQSZACIVSA-N 1 0 345.443 3.261 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1cc(C(C)C)nc2c1cnn2C(C)C ZINC000160449919 455460077 /nfs/dbraw/zinc/46/00/77/455460077.db2.gz PMQFCZAVZDMWHN-UHFFFAOYSA-N 1 0 345.491 3.383 20 70 EGIDRO CCn1cc([C@@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cn1 ZINC000160466162 455462300 /nfs/dbraw/zinc/46/23/00/455462300.db2.gz BYRJSQMPKIOQPT-MRXNPFEDSA-N 1 0 327.476 3.385 20 70 EGIDRO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCC(C)CC3)nc2)[C@H](C)C1 ZINC000160478839 455464970 /nfs/dbraw/zinc/46/49/70/455464970.db2.gz NVPVXKHDXXWWHP-IEBWSBKVSA-N 1 0 330.520 3.138 20 70 EGIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccc(OC(F)F)cc1 ZINC000160522983 455469696 /nfs/dbraw/zinc/46/96/96/455469696.db2.gz QKFNNKSIQWBWRE-UKRRQHHQSA-N 1 0 336.386 3.244 20 70 EGIDRO Cc1cccc2c(CCC(=O)NCC[NH+]3CCC(C)CC3)c[nH]c21 ZINC000160552363 455473096 /nfs/dbraw/zinc/47/30/96/455473096.db2.gz HMSMXPZXTVAVOV-UHFFFAOYSA-N 1 0 327.472 3.257 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccccc2C(=O)c2ccc(Cl)cc2)C1 ZINC000160595051 455478207 /nfs/dbraw/zinc/47/82/07/455478207.db2.gz PFKAXOZKMDOOMF-HNNXBMFYSA-N 1 0 342.826 3.005 20 70 EGIDRO CC(C)(NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1)c1cccc(Cl)c1 ZINC000160626381 455482522 /nfs/dbraw/zinc/48/25/22/455482522.db2.gz BGMNPPPRVPTTHI-INIZCTEOSA-N 1 0 335.879 3.359 20 70 EGIDRO CC[N@H+](CCNC(=O)[C@@H](C)c1ccc(Br)cc1)C(C)C ZINC000160810767 455501134 /nfs/dbraw/zinc/50/11/34/455501134.db2.gz QTBWDPMMHNUHCR-ZDUSSCGKSA-N 1 0 341.293 3.399 20 70 EGIDRO COc1ccccc1SCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000160906548 455511934 /nfs/dbraw/zinc/51/19/34/455511934.db2.gz JQAQIFOVOYLDLW-UHFFFAOYSA-N 1 0 336.501 3.168 20 70 EGIDRO C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1c(F)cccc1F ZINC000160927175 455514093 /nfs/dbraw/zinc/51/40/93/455514093.db2.gz QULJURFGWVXNKN-CXAGYDPISA-N 1 0 332.394 3.487 20 70 EGIDRO CC(C)[NH2+]CCC(=O)N1CCSC[C@@H]1c1ccc(Cl)cc1 ZINC000161010250 455524096 /nfs/dbraw/zinc/52/40/96/455524096.db2.gz YRQFBLNNTCCRLG-OAHLLOKOSA-N 1 0 326.893 3.345 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2csc(Cc3ccccc3)n2)CC1 ZINC000161023101 455525033 /nfs/dbraw/zinc/52/50/33/455525033.db2.gz QZYBWWCQPLVCGV-UHFFFAOYSA-N 1 0 343.496 3.196 20 70 EGIDRO O=C(C[NH2+]CC1CC1)NCc1ccc(Oc2ccccc2F)c(F)c1 ZINC000161056295 455528711 /nfs/dbraw/zinc/52/87/11/455528711.db2.gz GANJRNWMWYFWAR-UHFFFAOYSA-N 1 0 346.377 3.373 20 70 EGIDRO CC[C@H](C)NC(=O)c1cccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000161083234 455530606 /nfs/dbraw/zinc/53/06/06/455530606.db2.gz NAUKKYNUEQMMCO-FPXQBCRKSA-N 1 0 331.504 3.033 20 70 EGIDRO C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161080271 455530839 /nfs/dbraw/zinc/53/08/39/455530839.db2.gz QCBWXDGMZRYZQB-QFBILLFUSA-N 1 0 326.440 3.141 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2csc(-c3ccccc3F)n2)CC1 ZINC000161123786 455537366 /nfs/dbraw/zinc/53/73/66/455537366.db2.gz NMTQAONQPHVOSP-UHFFFAOYSA-N 1 0 347.459 3.411 20 70 EGIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCc2ccncc2C)C1 ZINC000161129118 455537470 /nfs/dbraw/zinc/53/74/70/455537470.db2.gz WVQVVBOQEMNQSS-QGZVFWFLSA-N 1 0 346.519 3.132 20 70 EGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000161200380 455547483 /nfs/dbraw/zinc/54/74/83/455547483.db2.gz ZZYTZVKOQWGVKG-PXNSSMCTSA-N 1 0 326.488 3.456 20 70 EGIDRO Cc1n[nH]c(C)c1[C@@H]1CCC[N@@H+]1CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000161215820 455549725 /nfs/dbraw/zinc/54/97/25/455549725.db2.gz QKIDQBFIKAWBSX-KRWDZBQOSA-N 1 0 346.519 3.448 20 70 EGIDRO CCc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000161234909 455551088 /nfs/dbraw/zinc/55/10/88/455551088.db2.gz NUCHRHMPIYEPQW-JKSUJKDBSA-N 1 0 343.496 3.301 20 70 EGIDRO CCc1ccc(-c2nc(CC(=O)N[C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000161235014 455551212 /nfs/dbraw/zinc/55/12/12/455551212.db2.gz NUCHRHMPIYEPQW-HOTGVXAUSA-N 1 0 343.496 3.301 20 70 EGIDRO CC(C)C[N@@H+]1CCC[C@@H](CNc2ncc(Br)cn2)C1 ZINC000161295666 455556792 /nfs/dbraw/zinc/55/67/92/455556792.db2.gz MKFGHKKUNZNHRF-LBPRGKRZSA-N 1 0 327.270 3.019 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)CCOc1ccccc1-c1ccccc1 ZINC000161300567 455557130 /nfs/dbraw/zinc/55/71/30/455557130.db2.gz RJDXEZYAAUAIHK-GOSISDBHSA-N 1 0 338.451 3.333 20 70 EGIDRO CO[C@@H](CNC(=O)C[C@@H](C)C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000161412014 455567510 /nfs/dbraw/zinc/56/75/10/455567510.db2.gz HFYVJPJHPKWDOK-DYVFJYSZSA-N 1 0 338.879 3.170 20 70 EGIDRO CC[C@H](C(=O)NCc1ccc(-c2cccc(OC)c2)cc1)[NH+](C)C ZINC000161460557 455572062 /nfs/dbraw/zinc/57/20/62/455572062.db2.gz BSDQOCIFKFVYJR-LJQANCHMSA-N 1 0 326.440 3.319 20 70 EGIDRO Cc1c(CSC(C)C)cccc1NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000160782658 533864040 /nfs/dbraw/zinc/86/40/40/533864040.db2.gz XMXZSYRMTONEJL-INIZCTEOSA-N 1 0 336.501 3.344 20 70 EGIDRO C[C@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(N2CCCC2=O)cc1 ZINC000160090550 533890644 /nfs/dbraw/zinc/89/06/44/533890644.db2.gz COXXPDSXFQDSIL-IFXJQAMLSA-N 1 0 344.480 3.433 20 70 EGIDRO Cc1cccc(C(=O)NC[C@H](C)C[NH+]2CCCC2)c1Br ZINC000160314436 534608570 /nfs/dbraw/zinc/60/85/70/534608570.db2.gz NEXNGSXGXLJFQB-LBPRGKRZSA-N 1 0 339.277 3.219 20 70 EGIDRO CC(C)c1ccccc1OCCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000160139130 528200615 /nfs/dbraw/zinc/20/06/15/528200615.db2.gz RXTXOHGGDQOUKB-MRXNPFEDSA-N 1 0 330.472 3.179 20 70 EGIDRO CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCCCO2)c2cccs2)CC1 ZINC000159970315 528261715 /nfs/dbraw/zinc/26/17/15/528261715.db2.gz ITOHXKMNFIAIRO-CVEARBPZSA-N 1 0 336.501 3.206 20 70 EGIDRO CCOCCC1(C[NH2+][C@H](C(=O)NC2CC2)c2ccc(F)cc2)CCC1 ZINC000159965287 528636828 /nfs/dbraw/zinc/63/68/28/528636828.db2.gz FFHMOBGRDUSSAS-SFHVURJKSA-N 1 0 348.462 3.332 20 70 EGIDRO CCc1cccc(CC)c1NC(=O)C[NH2+]CC(CC)(CC)C(=O)OC ZINC000159665278 529165387 /nfs/dbraw/zinc/16/53/87/529165387.db2.gz PQWUFQKYWIWTPT-UHFFFAOYSA-N 1 0 348.487 3.319 20 70 EGIDRO C[C@H](CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccncc1 ZINC000160624180 546948772 /nfs/dbraw/zinc/94/87/72/546948772.db2.gz ZTBMKOLJSZDSNV-TVRKMHQQSA-N 1 0 329.488 3.298 20 70 EGIDRO CC[C@H]([NH2+]Cc1ccc(C)nc1)c1ccccc1OCC(=O)N(C)C ZINC000161306509 546954797 /nfs/dbraw/zinc/95/47/97/546954797.db2.gz MXPSJOLKQREOKH-SFHVURJKSA-N 1 0 341.455 3.098 20 70 EGIDRO C[NH2+]C[C@@H](C)C(=O)N[C@H](CC(C)C)c1cc(Cl)ccc1OC ZINC000160366572 529980162 /nfs/dbraw/zinc/98/01/62/529980162.db2.gz QSZKYNJORBQOGC-IUODEOHRSA-N 1 0 326.868 3.408 20 70 EGIDRO O=C(NCC[NH2+]C1CCCCCC1)c1cccc(NC(=O)C2CC2)c1 ZINC000159676931 206258225 /nfs/dbraw/zinc/25/82/25/206258225.db2.gz XAEVGAMNENXATI-UHFFFAOYSA-N 1 0 343.471 3.077 20 70 EGIDRO O=C(CCOc1ccccc1Cl)N1CCC([NH2+]CC2CC2)CC1 ZINC000159775250 206261619 /nfs/dbraw/zinc/26/16/19/206261619.db2.gz UCSVMWMEMRPLMN-UHFFFAOYSA-N 1 0 336.863 3.100 20 70 EGIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@@H](c3nnc4ccccn43)C2)cc1 ZINC000159758872 206262798 /nfs/dbraw/zinc/26/27/98/206262798.db2.gz NMRJKNBDNWLOPK-GOSISDBHSA-N 1 0 348.450 3.490 20 70 EGIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@H](CCO)c1ccccc1 ZINC000159835399 206265672 /nfs/dbraw/zinc/26/56/72/206265672.db2.gz MGJNAEOGUNDGDP-LJQANCHMSA-N 1 0 346.515 3.327 20 70 EGIDRO C[C@@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Oc1ccccc1 ZINC000159934225 206271552 /nfs/dbraw/zinc/27/15/52/206271552.db2.gz BPYDVUZEFXEGJB-ROUUACIJSA-N 1 0 345.487 3.114 20 70 EGIDRO CC1CC[NH+]([C@@H](CNC(=O)[C@@H]2CCCCO2)c2cccs2)CC1 ZINC000159970181 206272826 /nfs/dbraw/zinc/27/28/26/206272826.db2.gz ITOHXKMNFIAIRO-HOTGVXAUSA-N 1 0 336.501 3.206 20 70 EGIDRO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CC[NH+](C2CCCC2)CC1 ZINC000160007696 206274453 /nfs/dbraw/zinc/27/44/53/206274453.db2.gz UEIUEYDJNXPTEJ-HZPDHXFCSA-N 1 0 334.410 3.155 20 70 EGIDRO CC(C)[NH+](CCCNC(=O)Nc1ccn(CC(F)(F)F)n1)C(C)C ZINC000160329740 206291202 /nfs/dbraw/zinc/29/12/02/206291202.db2.gz ZTZUGBNDYDCHEM-UHFFFAOYSA-N 1 0 349.401 3.076 20 70 EGIDRO C[C@H](C[NH2+][C@H](C)c1cnccn1)Oc1ccccc1Br ZINC000160379550 206294428 /nfs/dbraw/zinc/29/44/28/206294428.db2.gz COSYTVZMSNDYLO-VXGBXAGGSA-N 1 0 336.233 3.357 20 70 EGIDRO CC[N@@H+]1CC[C@@H](NCc2ccc(N3CCCCCC3)nc2)[C@H](C)C1 ZINC000160527250 206301288 /nfs/dbraw/zinc/30/12/88/206301288.db2.gz GEQVFGPCLPFION-IEBWSBKVSA-N 1 0 330.520 3.282 20 70 EGIDRO Cc1c([C@@H](C)[NH2+]C[C@@H]2CCO[C@@H]2C(C)C)cnn1-c1ccccn1 ZINC000160798004 206314473 /nfs/dbraw/zinc/31/44/73/206314473.db2.gz GRFDSIWKIJYWEQ-SIXWZSSISA-N 1 0 328.460 3.287 20 70 EGIDRO CCC[C@@H]1CN(C(=O)Nc2cccc3[nH]ccc32)CC[N@@H+]1CCOC ZINC000160822541 206315783 /nfs/dbraw/zinc/31/57/83/206315783.db2.gz OUPLBLMVIIKCDE-OAHLLOKOSA-N 1 0 344.459 3.133 20 70 EGIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1)C1CC1 ZINC000160951678 206319262 /nfs/dbraw/zinc/31/92/62/206319262.db2.gz DBLZBCGXMLGLKF-ZRGWGRIASA-N 1 0 330.472 3.214 20 70 EGIDRO COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC(=O)NC(C)C)s2)cc1 ZINC000160980099 206321411 /nfs/dbraw/zinc/32/14/11/206321411.db2.gz UJLUNRCMEVIVDH-GFCCVEGCSA-N 1 0 347.484 3.302 20 70 EGIDRO COc1cc([C@@H](C)[NH2+]CC(=O)NC(C)C)ccc1SC(F)F ZINC000160990281 206322316 /nfs/dbraw/zinc/32/23/16/206322316.db2.gz RKLITJIYGASVJK-SNVBAGLBSA-N 1 0 332.416 3.185 20 70 EGIDRO COc1ccc(C[C@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1OC ZINC000161033006 206323992 /nfs/dbraw/zinc/32/39/92/206323992.db2.gz VEDFTQRZROKJAJ-MAUKXSAKSA-N 1 0 329.440 3.348 20 70 EGIDRO COc1cc([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000161055849 206325709 /nfs/dbraw/zinc/32/57/09/206325709.db2.gz KCYODNDBKQANMJ-BMFZPTHFSA-N 1 0 336.476 3.236 20 70 EGIDRO C[C@@H](CSCc1ccccc1)C(=O)NCCC1CC[NH+](C)CC1 ZINC000161214326 206335782 /nfs/dbraw/zinc/33/57/82/206335782.db2.gz JALWMVLVXVSHSX-INIZCTEOSA-N 1 0 334.529 3.404 20 70 EGIDRO COc1ccc(NC(=O)[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cc1N ZINC000161328878 206341471 /nfs/dbraw/zinc/34/14/71/206341471.db2.gz HYRKXKDRHMGVKP-MRXNPFEDSA-N 1 0 339.439 3.128 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000161344782 206343288 /nfs/dbraw/zinc/34/32/88/206343288.db2.gz YBKIOVIYYOMBKY-SECBINFHSA-N 1 0 341.889 3.349 20 70 EGIDRO CC(C)C[C@H]([NH3+])C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000161390879 206346645 /nfs/dbraw/zinc/34/66/45/206346645.db2.gz RHGOQCHVBLCCME-LBPRGKRZSA-N 1 0 338.864 3.094 20 70 EGIDRO COc1ccc([C@@H](CCO)[NH2+]CCC(=O)c2ccc(C)cc2)cc1 ZINC000161434285 206347544 /nfs/dbraw/zinc/34/75/44/206347544.db2.gz KQOLWPHCAJYJRA-LJQANCHMSA-N 1 0 327.424 3.290 20 70 EGIDRO O=C(NC[C@H]1CCc2ccccc21)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159597736 140941285 /nfs/dbraw/zinc/94/12/85/140941285.db2.gz QMGBBXCHPFQSCP-MOPGFXCFSA-N 1 0 341.499 3.376 20 70 EGIDRO COC(=O)CCC[N@@H+]1CCCC[C@@H]1CCc1ccc(OC)c(OC)c1 ZINC000217223797 153419948 /nfs/dbraw/zinc/41/99/48/153419948.db2.gz PKLPBXMGRPCNDJ-QGZVFWFLSA-N 1 0 349.471 3.444 20 70 EGIDRO [NH3+]C1(CNC(=O)[C@H]2C[C@H]2c2ccccc2OC(F)F)CCCCC1 ZINC000159723921 264861766 /nfs/dbraw/zinc/86/17/66/264861766.db2.gz ROQPNGZYXVMCKF-KBPBESRZSA-N 1 0 338.398 3.169 20 70 EGIDRO OCC1(C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)CCCC1 ZINC000160069799 264870103 /nfs/dbraw/zinc/87/01/03/264870103.db2.gz DMJZHCNAKDKOFF-MRXNPFEDSA-N 1 0 338.289 3.449 20 70 EGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000160471504 264874010 /nfs/dbraw/zinc/87/40/10/264874010.db2.gz HFPWCISWNPNPAI-WTGUMLROSA-N 1 0 348.531 3.087 20 70 EGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](C)c2cnn(C(C)C)c2)c1 ZINC000160633081 264883018 /nfs/dbraw/zinc/88/30/18/264883018.db2.gz FLOISLQFLAHPCP-OAHLLOKOSA-N 1 0 328.460 3.455 20 70 EGIDRO Cc1[nH]ccc1C(=O)N(C)c1ccc(OCC[NH+]2CCCC2)cc1 ZINC000160839314 275196192 /nfs/dbraw/zinc/19/61/92/275196192.db2.gz QCIIWUYCRPHWPZ-UHFFFAOYSA-N 1 0 327.428 3.074 20 70 EGIDRO CN(C)c1ccc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)c(F)c1 ZINC000159660320 276882168 /nfs/dbraw/zinc/88/21/68/276882168.db2.gz QHWSCCOVASTWBT-SFHVURJKSA-N 1 0 347.409 3.064 20 70 EGIDRO CSCCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000160375280 278129341 /nfs/dbraw/zinc/12/93/41/278129341.db2.gz FFHWFTZLJFIYLH-WMZOPIPTSA-N 1 0 349.544 3.434 20 70 EGIDRO CC[C@H](OC1CCCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000159712097 307878165 /nfs/dbraw/zinc/87/81/65/307878165.db2.gz WWIYYVASMPEKJR-IBGZPJMESA-N 1 0 332.488 3.492 20 70 EGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000159940518 307882433 /nfs/dbraw/zinc/88/24/33/307882433.db2.gz CUUNRMIWZMQFPK-QGZVFWFLSA-N 1 0 326.444 3.326 20 70 EGIDRO CCC[C@@H]([NH3+])C(=O)Nc1ccccc1CN(C)C(=O)c1cccs1 ZINC000161211619 307900202 /nfs/dbraw/zinc/90/02/02/307900202.db2.gz OMTJXOBCQMYFST-CQSZACIVSA-N 1 0 345.468 3.086 20 70 EGIDRO COc1ccc(N(C)C(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000159501088 455381376 /nfs/dbraw/zinc/38/13/76/455381376.db2.gz JSEMAMSACOCFHO-GOSISDBHSA-N 1 0 342.414 3.462 20 70 EGIDRO CC(C)([NH3+])CNC(=O)[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000159986041 455420563 /nfs/dbraw/zinc/42/05/63/455420563.db2.gz OHIFLPNNAILBPB-STQMWFEESA-N 1 0 329.469 3.200 20 70 EGIDRO CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000160048581 455424486 /nfs/dbraw/zinc/42/44/86/455424486.db2.gz OGJKZOGOUHZOMC-QJPTWQEYSA-N 1 0 327.266 3.403 20 70 EGIDRO CCCC1(C[NH2+][C@H](C(N)=O)c2ccc(Br)cc2)CC1 ZINC000160772904 455496815 /nfs/dbraw/zinc/49/68/15/455496815.db2.gz NXFGXFYMPQHYRG-ZDUSSCGKSA-N 1 0 325.250 3.145 20 70 EGIDRO CC[C@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000160812938 455502290 /nfs/dbraw/zinc/50/22/90/455502290.db2.gz VAAHVSSRRRUIKD-KRWDZBQOSA-N 1 0 326.371 3.163 20 70 EGIDRO CCC[N@@H+]1CC[C@H](CNC(=O)Nc2cnn(CCC(C)C)c2C)C1 ZINC000159500172 455380449 /nfs/dbraw/zinc/38/04/49/455380449.db2.gz GQBPOTSEOXEKTF-MRXNPFEDSA-N 1 0 335.496 3.091 20 70 EGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)NCc1ccc(OC(F)F)cc1 ZINC000159599053 455388461 /nfs/dbraw/zinc/38/84/61/455388461.db2.gz UGJYFJBZWUALBL-HOCLYGCPSA-N 1 0 338.398 3.169 20 70 EGIDRO C[NH+](C)CCn1ccc2ccc(NC(=O)c3cccc4[nH]cnc43)cc21 ZINC000159629357 455390114 /nfs/dbraw/zinc/39/01/14/455390114.db2.gz XDWNUZQNHQKBRQ-UHFFFAOYSA-N 1 0 347.422 3.332 20 70 EGIDRO Cc1ccc(NC(=O)c2cccc3[nH]cnc32)c(OCC[NH+](C)C)c1 ZINC000159630392 455390274 /nfs/dbraw/zinc/39/02/74/455390274.db2.gz IJXATIOSJQCKIS-UHFFFAOYSA-N 1 0 338.411 3.064 20 70 EGIDRO CS(=O)(=O)c1ccc(OCCC[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159699197 455396323 /nfs/dbraw/zinc/39/63/23/455396323.db2.gz PWAZHAZAUUYYNU-YJBOKZPZSA-N 1 0 337.485 3.124 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)n1 ZINC000159880449 455412747 /nfs/dbraw/zinc/41/27/47/455412747.db2.gz KTMCHBGYKFBACQ-UHFFFAOYSA-N 1 0 335.496 3.315 20 70 EGIDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)C(C)(C)c1ccccc1 ZINC000159899436 455413483 /nfs/dbraw/zinc/41/34/83/455413483.db2.gz LROGGKKUSZZUCH-GOSISDBHSA-N 1 0 331.504 3.480 20 70 EGIDRO CCn1cc([C@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)cn1 ZINC000160007267 455421854 /nfs/dbraw/zinc/42/18/54/455421854.db2.gz ZRGFANIDKQMVEY-ZDUSSCGKSA-N 1 0 332.414 3.218 20 70 EGIDRO CN(c1ccccc1)c1ccccc1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160276143 455444264 /nfs/dbraw/zinc/44/42/64/455444264.db2.gz AKIVIGNCHBJPFK-CALCHBBNSA-N 1 0 335.451 3.421 20 70 EGIDRO NC(=O)CC[C@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000160331295 455448466 /nfs/dbraw/zinc/44/84/66/455448466.db2.gz ILJBPMWUIOOCBM-GFCCVEGCSA-N 1 0 345.270 3.350 20 70 EGIDRO CC(=O)Nc1ccc(OC[C@@H](O)C[N@H+]2CCCC[C@H]2CC(C)C)cc1 ZINC000160331347 455448771 /nfs/dbraw/zinc/44/87/71/455448771.db2.gz AEIAGJONCUSANF-OALUTQOASA-N 1 0 348.487 3.285 20 70 EGIDRO Cc1cccc2c(CC(=O)NC[C@H]3CCC[N@H+]3CC(C)C)c[nH]c21 ZINC000160518575 455468265 /nfs/dbraw/zinc/46/82/65/455468265.db2.gz SUUUDDQSMWFNKK-QGZVFWFLSA-N 1 0 327.472 3.255 20 70 EGIDRO CC[C@@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)cc1 ZINC000160544305 455472737 /nfs/dbraw/zinc/47/27/37/455472737.db2.gz VTBHQBNYKDKHEB-QGZVFWFLSA-N 1 0 339.407 3.479 20 70 EGIDRO C[C@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160645773 455483749 /nfs/dbraw/zinc/48/37/49/455483749.db2.gz VWCPRDVFCQJILQ-OXQOHEQNSA-N 1 0 341.499 3.481 20 70 EGIDRO COc1ccc(CCN(CC(C)(C)C)C(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000160880012 455508362 /nfs/dbraw/zinc/50/83/62/455508362.db2.gz QISYSWZHNSXTLZ-KRWDZBQOSA-N 1 0 332.488 3.112 20 70 EGIDRO CN(Cc1cnc2ccccn12)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160890844 455509930 /nfs/dbraw/zinc/50/99/30/455509930.db2.gz PSCKIORIRGQTFU-LJQANCHMSA-N 1 0 334.467 3.288 20 70 EGIDRO CC[N@@H+]1CCC[C@H](NC(=O)c2nn(-c3ccccc3Cl)cc2C)C1 ZINC000160988364 455521593 /nfs/dbraw/zinc/52/15/93/455521593.db2.gz RUZBXJOVYGLFHH-AWEZNQCLSA-N 1 0 346.862 3.048 20 70 EGIDRO CC[C@@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000161032878 455525681 /nfs/dbraw/zinc/52/56/81/455525681.db2.gz VIXVDMNDIZRHRA-QMTHXVAHSA-N 1 0 341.402 3.018 20 70 EGIDRO C[C@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CC[C@@H]1c1ccccc1 ZINC000161232745 455550108 /nfs/dbraw/zinc/55/01/08/455550108.db2.gz RXQMWLDOXJVTJZ-JXFKEZNVSA-N 1 0 334.463 3.135 20 70 EGIDRO CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000161252822 455553107 /nfs/dbraw/zinc/55/31/07/455553107.db2.gz HLBFRNASRFUWSJ-TZYSRNFLSA-N 1 0 343.471 3.133 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(Oc2cccnc2)c(F)c1 ZINC000161276141 455554524 /nfs/dbraw/zinc/55/45/24/455554524.db2.gz HWLHPPDCJGBBQG-UHFFFAOYSA-N 1 0 345.418 3.394 20 70 EGIDRO O=S1(=O)CC[C@H]([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000161352528 455561893 /nfs/dbraw/zinc/56/18/93/455561893.db2.gz GUPZFOQPZTZGML-UXHICEINSA-N 1 0 343.492 3.007 20 70 EGIDRO CCC[N@@H+](Cc1ccc(COC)o1)C[C@H]1COc2ccccc2O1 ZINC000161411207 455567596 /nfs/dbraw/zinc/56/75/96/455567596.db2.gz JAAIWZOHFUXIOJ-KRWDZBQOSA-N 1 0 331.412 3.478 20 70 EGIDRO CC[N@H+](Cc1ccc2c(c1)OCO2)Cc1ccc(OC)c(OC)c1 ZINC000161470747 455573205 /nfs/dbraw/zinc/57/32/05/455573205.db2.gz FKADQVMHIJTWDQ-UHFFFAOYSA-N 1 0 329.396 3.455 20 70 EGIDRO COc1ccc([C@@H](NC(=O)CCC[NH3+])c2ccccc2Cl)cc1 ZINC000161479335 455573592 /nfs/dbraw/zinc/57/35/92/455573592.db2.gz RCIGOQQQPGKCDP-GOSISDBHSA-N 1 0 332.831 3.293 20 70 EGIDRO Cc1nc(CC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)cs1 ZINC000161507049 455576466 /nfs/dbraw/zinc/57/64/66/455576466.db2.gz QFUYCGOKXRTIEY-UHFFFAOYSA-N 1 0 335.517 3.153 20 70 EGIDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)NCCc1c(C)[nH]c2ccccc21 ZINC000217142891 456031651 /nfs/dbraw/zinc/03/16/51/456031651.db2.gz FLYVGXHRADMBMI-MRXNPFEDSA-N 1 0 342.487 3.192 20 70 EGIDRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@H]2CCCC[C@@H]2C)cc1C ZINC000217141921 456031699 /nfs/dbraw/zinc/03/16/99/456031699.db2.gz OVKVIDTZSPSVTE-AAEUAGOBSA-N 1 0 338.473 3.340 20 70 EGIDRO CCN(C(=O)N[C@@H](C)C1CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160973599 546952082 /nfs/dbraw/zinc/95/20/82/546952082.db2.gz NOQIWHWMXQLXOA-LPHOPBHVSA-N 1 0 329.488 3.481 20 70 EGIDRO CCc1ccc([C@H]([NH2+]CC(=O)N2C[C@H](C)O[C@@H](C)C2)C(C)C)cc1 ZINC000216743053 574917162 /nfs/dbraw/zinc/91/71/62/574917162.db2.gz SKFVCBWQXVZMTR-TWOQFEAHSA-N 1 0 332.488 3.172 20 70 EGIDRO CC1(O)CC[NH+](CCC(=O)Nc2c(Cl)cccc2Cl)CC1 ZINC000161212071 205570528 /nfs/dbraw/zinc/57/05/28/205570528.db2.gz AIWUTLYUDSQCEP-UHFFFAOYSA-N 1 0 331.243 3.169 20 70 EGIDRO Cc1ccc(C(=O)NC[C@@H](C)C[NH+]2CCCC2)c(Br)c1 ZINC000161165100 205566398 /nfs/dbraw/zinc/56/63/98/205566398.db2.gz RXIXFMGEZWJAGB-CYBMUJFWSA-N 1 0 339.277 3.219 20 70 EGIDRO CCCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)c(OCCC)c1 ZINC000159716252 206258566 /nfs/dbraw/zinc/25/85/66/206258566.db2.gz KPWRWYVXLJBFLM-UHFFFAOYSA-N 1 0 348.487 3.352 20 70 EGIDRO CCOc1ccccc1[C@H](CC)NC(=O)N1CCC[N@H+](CC)CC1 ZINC000159794281 206263603 /nfs/dbraw/zinc/26/36/03/206263603.db2.gz NTMMOMSYJQYHPG-KRWDZBQOSA-N 1 0 333.476 3.274 20 70 EGIDRO [NH3+][C@H](Cc1ccccc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159809151 206263866 /nfs/dbraw/zinc/26/38/66/206263866.db2.gz DLNJBUXJBDBVHF-FUHWJXTLSA-N 1 0 328.843 3.226 20 70 EGIDRO O=C([C@@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159840313 206266360 /nfs/dbraw/zinc/26/63/60/206266360.db2.gz LYXDTBPSACYRQO-JKSUJKDBSA-N 1 0 334.410 3.059 20 70 EGIDRO CCC[N@@H+]1CC[C@H](CNC(=O)N[C@@H](C)c2cccc(F)c2F)C1 ZINC000160062812 206277840 /nfs/dbraw/zinc/27/78/40/206277840.db2.gz GXWAHJPYDDQFNH-QWHCGFSZSA-N 1 0 325.403 3.057 20 70 EGIDRO CCC[C@H]([NH2+][C@@H](COC)C(C)C)C(=O)N1CCc2sccc2C1 ZINC000160194674 206283971 /nfs/dbraw/zinc/28/39/71/206283971.db2.gz HYTCGJISGPTGLJ-HOTGVXAUSA-N 1 0 338.517 3.062 20 70 EGIDRO O=S(=O)(c1ccc(Cl)s1)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000160176479 206284158 /nfs/dbraw/zinc/28/41/58/206284158.db2.gz FKVURCUSDMOFBH-LBPRGKRZSA-N 1 0 348.921 3.041 20 70 EGIDRO CC[NH+](CC)CCOc1ccccc1CN[C@H](C)c1cnccn1 ZINC000160292705 206288159 /nfs/dbraw/zinc/28/81/59/206288159.db2.gz VTZOEYZXIJCXOO-MRXNPFEDSA-N 1 0 328.460 3.048 20 70 EGIDRO C[C@@H]1C[NH+](C[C@@H]2CCCN2c2nc3cc(F)ccc3o2)C[C@@H](C)O1 ZINC000160501716 206300383 /nfs/dbraw/zinc/30/03/83/206300383.db2.gz OPOFZSJTPDFUMU-NFAWXSAZSA-N 1 0 333.407 3.045 20 70 EGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc2c(c1)OCCO2 ZINC000160541706 206303016 /nfs/dbraw/zinc/30/30/16/206303016.db2.gz VFXMMCPWYFPUNZ-UHFFFAOYSA-N 1 0 335.448 3.044 20 70 EGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000160763826 206312092 /nfs/dbraw/zinc/31/20/92/206312092.db2.gz UULJJZODNIETGS-BJLQDIEVSA-N 1 0 345.531 3.134 20 70 EGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000160763668 206312237 /nfs/dbraw/zinc/31/22/37/206312237.db2.gz UULJJZODNIETGS-NSHGMRRFSA-N 1 0 345.531 3.134 20 70 EGIDRO Cc1ccsc1[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[NH2+]C1 ZINC000160941740 206319792 /nfs/dbraw/zinc/31/97/92/206319792.db2.gz AQRABQXAQRXVBU-DLBZAZTESA-N 1 0 328.481 3.456 20 70 EGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cnc(C)nc2C)c1 ZINC000161075873 206327155 /nfs/dbraw/zinc/32/71/55/206327155.db2.gz IXMAMWHESLAIDA-KBPBESRZSA-N 1 0 340.471 3.473 20 70 EGIDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1OC(F)F ZINC000160594926 206305332 /nfs/dbraw/zinc/30/53/32/206305332.db2.gz YZXRVEMKQWWWIF-JTQLQIEISA-N 1 0 340.292 3.007 20 70 EGIDRO CCCC(=O)Nc1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161298817 206340344 /nfs/dbraw/zinc/34/03/44/206340344.db2.gz JKZJQSKCKCTVPD-UHFFFAOYSA-N 1 0 332.444 3.201 20 70 EGIDRO Cc1nn(C)cc1CN(CC(=O)Nc1ccc(F)cc1)C(C)(C)C ZINC000161471706 206350115 /nfs/dbraw/zinc/35/01/15/206350115.db2.gz DHDBCSQSAWMDLH-UHFFFAOYSA-N 1 0 332.423 3.107 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)c2cccc(C)c2)c1 ZINC000161492812 206350792 /nfs/dbraw/zinc/35/07/92/206350792.db2.gz NABSYGALVYTPLB-GJZGRUSLSA-N 1 0 332.469 3.315 20 70 EGIDRO O=C(Nc1ccc2c(c1)C(=O)CCC2)C1(c2ccccc2)CC[NH2+]CC1 ZINC000159603173 140941605 /nfs/dbraw/zinc/94/16/05/140941605.db2.gz RVGQURVANSVYID-UHFFFAOYSA-N 1 0 348.446 3.466 20 70 EGIDRO C[C@@H]1CC(=O)CC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000160727507 287193991 /nfs/dbraw/zinc/19/39/91/287193991.db2.gz RHHIPNNTJJHCEB-AEFFLSMTSA-N 1 0 334.504 3.297 20 70 EGIDRO CCC(=O)N1CC[C@@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000159820272 264865348 /nfs/dbraw/zinc/86/53/48/264865348.db2.gz DEXAYKKMBHINGN-SMDDNHRTSA-N 1 0 325.250 3.111 20 70 EGIDRO CCOCCC1(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)CCC1 ZINC000160584244 264880146 /nfs/dbraw/zinc/88/01/46/264880146.db2.gz MFCWYGQNMZYSNS-MRXNPFEDSA-N 1 0 334.460 3.130 20 70 EGIDRO CC[C@@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1Br ZINC000160578006 276534063 /nfs/dbraw/zinc/53/40/63/276534063.db2.gz CZKPFIPBGYYEAA-IUODEOHRSA-N 1 0 349.276 3.405 20 70 EGIDRO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]Cc1ccccc1CO ZINC000160478140 307890645 /nfs/dbraw/zinc/89/06/45/307890645.db2.gz RXWKMZUSFPFGPZ-YJBOKZPZSA-N 1 0 348.487 3.447 20 70 EGIDRO COC(=O)c1csc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000160732030 307894185 /nfs/dbraw/zinc/89/41/85/307894185.db2.gz CWYKDCUVHJBVOI-LBPRGKRZSA-N 1 0 341.477 3.023 20 70 EGIDRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000160811483 307895037 /nfs/dbraw/zinc/89/50/37/307895037.db2.gz USJVTFFOVOHYFA-PKOBYXMFSA-N 1 0 334.529 3.162 20 70 EGIDRO COc1cccc(C[C@H]([NH2+]CC(=O)NC(C)C)c2ccccc2)c1 ZINC000160928034 307896186 /nfs/dbraw/zinc/89/61/86/307896186.db2.gz AZZHFIQWNCITAL-IBGZPJMESA-N 1 0 326.440 3.093 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)[C@@H](OC)c1ccc(Cl)cc1 ZINC000161234624 455551003 /nfs/dbraw/zinc/55/10/03/455551003.db2.gz ROBUDZMFIAULAE-IUODEOHRSA-N 1 0 326.868 3.297 20 70 EGIDRO COc1ccc(Br)cc1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159612838 455389290 /nfs/dbraw/zinc/38/92/90/455389290.db2.gz YXQZGARCFFNVCQ-RISCZKNCSA-N 1 0 328.250 3.051 20 70 EGIDRO CCCCn1ncc(NC(=O)N2CC[NH+](C3CCCC3)CC2)c1C ZINC000159625151 455390782 /nfs/dbraw/zinc/39/07/82/455390782.db2.gz JIWGRQOCXXODRJ-UHFFFAOYSA-N 1 0 333.480 3.084 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2cccc(Cl)c2)CC1 ZINC000159779111 455403751 /nfs/dbraw/zinc/40/37/51/455403751.db2.gz IBOYHRVXKFOCNF-UHFFFAOYSA-N 1 0 337.895 3.355 20 70 EGIDRO C[C@H](N(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)C1(C)CC1 ZINC000160023190 455422972 /nfs/dbraw/zinc/42/29/72/455422972.db2.gz BSFHAEVZHLFPSA-RYRKJORJSA-N 1 0 329.488 3.337 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)NCC2(c3ccccc3)CC2)CC1 ZINC000160079050 455426290 /nfs/dbraw/zinc/42/62/90/455426290.db2.gz XGOPXCUCBAHBRO-UHFFFAOYSA-N 1 0 343.515 3.482 20 70 EGIDRO CCCn1c(C)nnc1CN1CC[C@@H](C)[N@H+](Cc2ccccc2)CC1 ZINC000160102165 455428485 /nfs/dbraw/zinc/42/84/85/455428485.db2.gz RNAQRYJMNWAEGS-QGZVFWFLSA-N 1 0 341.503 3.093 20 70 EGIDRO CSCC[C@H](C)N(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160183285 455435377 /nfs/dbraw/zinc/43/53/77/455435377.db2.gz QTJOXSQIERZLSW-LZLYRXPVSA-N 1 0 349.544 3.432 20 70 EGIDRO CN(C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)[C@H]1CCc2ccccc2C1 ZINC000160795832 455498544 /nfs/dbraw/zinc/49/85/44/455498544.db2.gz ITIHDPCSYWQQPM-QUCCMNQESA-N 1 0 341.499 3.202 20 70 EGIDRO CC[C@H](CC(=O)N1CC[NH+](CC2CC2)CC1)c1ccc(OC)cc1 ZINC000159529236 455383591 /nfs/dbraw/zinc/38/35/91/455383591.db2.gz ISCOCOCREKSVCH-QGZVFWFLSA-N 1 0 330.472 3.133 20 70 EGIDRO CCCC[C@H](COC)[NH2+][C@H](C)c1ccc(S(=O)(=O)CC)cc1 ZINC000159595328 455388287 /nfs/dbraw/zinc/38/82/87/455388287.db2.gz NAMPFDZHSSQIPO-GDBMZVCRSA-N 1 0 327.490 3.336 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000159632256 455391168 /nfs/dbraw/zinc/39/11/68/455391168.db2.gz ZMUHYFKCRVKDTN-ZDUSSCGKSA-N 1 0 341.402 3.086 20 70 EGIDRO O=C(NCC[NH2+]C1CCCCCC1)[C@@H]1C[C@@H]1c1ccc(F)cc1F ZINC000159682881 455395849 /nfs/dbraw/zinc/39/58/49/455395849.db2.gz HQDFIYFTRFQMFW-IAGOWNOFSA-N 1 0 336.426 3.497 20 70 EGIDRO Cc1cnn(-c2ccc(NC(=O)C[C@H](C)[C@@H]3CCC[NH2+]C3)cc2F)c1 ZINC000159777303 455402934 /nfs/dbraw/zinc/40/29/34/455402934.db2.gz VZDMXCOVXLJWEF-LSDHHAIUSA-N 1 0 344.434 3.284 20 70 EGIDRO CCCC(=O)Nc1cccc(C[NH2+]C2CCN(CC(F)F)CC2)c1 ZINC000159899873 455413729 /nfs/dbraw/zinc/41/37/29/455413729.db2.gz NEJOWDYONGYTCX-UHFFFAOYSA-N 1 0 339.430 3.244 20 70 EGIDRO Cc1ncc([C@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)c(C)n1 ZINC000159984557 455419823 /nfs/dbraw/zinc/41/98/23/455419823.db2.gz VHZVBQYMXLUPIA-LBPRGKRZSA-N 1 0 344.425 3.408 20 70 EGIDRO CCSCC[C@@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000160018073 455422355 /nfs/dbraw/zinc/42/23/55/455422355.db2.gz LUIFLDLDYJVJKV-RISCZKNCSA-N 1 0 331.478 3.166 20 70 EGIDRO CCOCCC[N@@H+]1CC[C@@H](NCc2ccc(OC(C)C)nc2)[C@H](C)C1 ZINC000160055384 455425407 /nfs/dbraw/zinc/42/54/07/455425407.db2.gz HPXULTIHLKJUGO-IEBWSBKVSA-N 1 0 349.519 3.095 20 70 EGIDRO CCN(C(=O)N[C@@H](C)CC1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160186592 455436599 /nfs/dbraw/zinc/43/65/99/455436599.db2.gz HWOGAAIXYNAFRG-LPHOPBHVSA-N 1 0 329.488 3.481 20 70 EGIDRO CSC[C@H](CCO)[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000160289141 455445268 /nfs/dbraw/zinc/44/52/68/455445268.db2.gz MPDUGCWDUNXLJE-KRWDZBQOSA-N 1 0 342.936 3.008 20 70 EGIDRO CC[C@@H](C[NH2+]C1CCN(CC(F)F)CC1)Oc1ccccc1F ZINC000160317927 455447138 /nfs/dbraw/zinc/44/71/38/455447138.db2.gz ABLZGTXGFSCYMU-AWEZNQCLSA-N 1 0 330.394 3.302 20 70 EGIDRO Cc1cccc2ncnc(N3CCC[C@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c12 ZINC000160482779 455465067 /nfs/dbraw/zinc/46/50/67/455465067.db2.gz QMAWACNKCWBZDE-BBWFWOEESA-N 1 0 340.471 3.016 20 70 EGIDRO O=C(N[C@@H]1CCC[C@@H]1Cc1ccccc1)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000160485416 455465764 /nfs/dbraw/zinc/46/57/64/455465764.db2.gz WKOIKWKIUGIAOH-HSALFYBXSA-N 1 0 341.499 3.278 20 70 EGIDRO O=C(C[NH2+][C@@H]1CCCCc2ccc(Cl)cc21)NCC(F)(F)F ZINC000160575596 455475859 /nfs/dbraw/zinc/47/58/59/455475859.db2.gz HCTKZLPTYWGTHI-CYBMUJFWSA-N 1 0 334.769 3.376 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000160586631 455477512 /nfs/dbraw/zinc/47/75/12/455477512.db2.gz IDRARHWGICSGSK-QGZVFWFLSA-N 1 0 344.459 3.404 20 70 EGIDRO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000160618310 455481035 /nfs/dbraw/zinc/48/10/35/455481035.db2.gz CESQOWHXCYNCQU-KDOFPFPSSA-N 1 0 333.451 3.403 20 70 EGIDRO Cc1noc(C)c1[C@H](C)CC(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000160974148 455519283 /nfs/dbraw/zinc/51/92/83/455519283.db2.gz DZFADFJRRRROJL-RHSMWYFYSA-N 1 0 335.492 3.269 20 70 EGIDRO CC[C@@H](C)[NH+]1CCN(C(=O)c2c(F)cccc2Br)CC1 ZINC000160968904 455519410 /nfs/dbraw/zinc/51/94/10/455519410.db2.gz JKFZOYBVWNEJOG-LLVKDONJSA-N 1 0 343.240 3.145 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000161095627 455532559 /nfs/dbraw/zinc/53/25/59/455532559.db2.gz JZHLCFZHLCVNII-WDEREUQCSA-N 1 0 331.243 3.148 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000161319312 455558913 /nfs/dbraw/zinc/55/89/13/455558913.db2.gz XOLKDOPPBQUWBD-RYUDHWBXSA-N 1 0 337.217 3.195 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)c1ccccc1C(F)(F)F ZINC000161356991 455562175 /nfs/dbraw/zinc/56/21/75/455562175.db2.gz JZFKTFNCILCSAP-STQMWFEESA-N 1 0 328.378 3.409 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000161423846 455569374 /nfs/dbraw/zinc/56/93/74/455569374.db2.gz IDCPTDOBAUPIGY-HZPDHXFCSA-N 1 0 327.428 3.050 20 70 EGIDRO Cc1nc2ccccn2c1C[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000161439205 455570325 /nfs/dbraw/zinc/57/03/25/455570325.db2.gz IGYJVFYGFDYNDB-IBGZPJMESA-N 1 0 335.451 3.476 20 70 EGIDRO CC[NH+](CC)CCN(CCC(F)(F)F)Cc1cnc2ccccn12 ZINC000161442114 455571657 /nfs/dbraw/zinc/57/16/57/455571657.db2.gz SYYMNNGWHQMQCV-UHFFFAOYSA-N 1 0 342.409 3.431 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]1c1ccccc1OC(F)(F)F ZINC000160423269 528945230 /nfs/dbraw/zinc/94/52/30/528945230.db2.gz CBGUENWLBVDABD-OLZOCXBDSA-N 1 0 344.377 3.322 20 70 EGIDRO CCS[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000159441284 535710690 /nfs/dbraw/zinc/71/06/90/535710690.db2.gz JOAAFTNIFDSDLA-YSVLISHTSA-N 1 0 331.489 3.377 20 70 EGIDRO Cc1nccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1Cl ZINC000159882903 546941426 /nfs/dbraw/zinc/94/14/26/546941426.db2.gz LGVYBTYUAKMXDQ-UHFFFAOYSA-N 1 0 332.835 3.427 20 70 EGIDRO Cc1nccc(NC(=O)NC[C@H](Cc2ccccc2)[NH+](C)C)c1Cl ZINC000159959154 546942598 /nfs/dbraw/zinc/94/25/98/546942598.db2.gz AWUYLNPGCIUWTG-HNNXBMFYSA-N 1 0 346.862 3.338 20 70 EGIDRO CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000216717756 574770430 /nfs/dbraw/zinc/77/04/30/574770430.db2.gz NXLBBYLWVNPSBP-WBVHZDCISA-N 1 0 346.471 3.417 20 70 EGIDRO O=C([C@@H]1CCCC[C@@H]1C(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159831998 296013745 /nfs/dbraw/zinc/01/37/45/296013745.db2.gz NXKXPFQIDRVNDJ-CABCVRRESA-N 1 0 332.410 3.346 20 70 EGIDRO C[C@@H]([NH2+]CC[C@@H]1CCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218245439 241307496 /nfs/dbraw/zinc/30/74/96/241307496.db2.gz GMMQYIOEPGNATJ-CHWSQXEVSA-N 1 0 325.478 3.441 20 70 EGIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000159399658 206243907 /nfs/dbraw/zinc/24/39/07/206243907.db2.gz IRBNYZJDHYDEBU-GJZGRUSLSA-N 1 0 328.412 3.119 20 70 EGIDRO C[NH+](C)C[C@H]1CCN(Cc2nc(-c3c(F)cccc3F)cs2)C1 ZINC000159670643 206257502 /nfs/dbraw/zinc/25/75/02/206257502.db2.gz ASQSFOUYYNPXHZ-GFCCVEGCSA-N 1 0 337.439 3.472 20 70 EGIDRO CCc1ncc(NC(=O)C2(C)CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000159467427 206247307 /nfs/dbraw/zinc/24/73/07/206247307.db2.gz AQEWPRYXJVQUQQ-UHFFFAOYSA-N 1 0 338.455 3.280 20 70 EGIDRO C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C[C@@H]1CCC[C@@H]1O ZINC000159559216 206251893 /nfs/dbraw/zinc/25/18/93/206251893.db2.gz BBTZEBMODYWVHB-ZFWWWQNUSA-N 1 0 346.452 3.132 20 70 EGIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](c1ccco1)N1CCCC1 ZINC000159569476 206252923 /nfs/dbraw/zinc/25/29/23/206252923.db2.gz ZHXMSBSEGRMMMK-SFHVURJKSA-N 1 0 330.476 3.065 20 70 EGIDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)[C@@H]1CCOC1 ZINC000159566705 206253020 /nfs/dbraw/zinc/25/30/20/206253020.db2.gz PBATVBYMHNAVIZ-POAQFYNOSA-N 1 0 338.451 3.251 20 70 EGIDRO Cc1c(C(=O)NC[C@H](c2ccc(C)cc2)[NH+](C)C)cnn1CC(C)C ZINC000159785583 206263826 /nfs/dbraw/zinc/26/38/26/206263826.db2.gz HHMGXOYGEMOHKF-LJQANCHMSA-N 1 0 342.487 3.189 20 70 EGIDRO Cc1nn(-c2ccccc2)c(C)c1CN[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000159843660 206266889 /nfs/dbraw/zinc/26/68/89/206266889.db2.gz OYLUBSWEJYGJMH-AVYPCKFXSA-N 1 0 326.488 3.307 20 70 EGIDRO Cc1cncc(/C=C/C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)c1 ZINC000159872151 206269008 /nfs/dbraw/zinc/26/90/08/206269008.db2.gz ORNVILDERXFMSQ-DVBCCOPCSA-N 1 0 339.439 3.340 20 70 EGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)cn1 ZINC000160104412 206278922 /nfs/dbraw/zinc/27/89/22/206278922.db2.gz NINFWUMOKRBPBJ-HNNXBMFYSA-N 1 0 337.427 3.300 20 70 EGIDRO C[C@@H]([NH2+]C[C@](C)(O)c1ccsc1)c1ccc(N2CCCC2=O)cc1 ZINC000160090416 206279673 /nfs/dbraw/zinc/27/96/73/206279673.db2.gz COXXPDSXFQDSIL-KUHUBIRLSA-N 1 0 344.480 3.433 20 70 EGIDRO CCn1cc([C@H](C)[NH2+]Cc2ccc(N3CCC(C)CC3)nc2)cn1 ZINC000160466291 206298601 /nfs/dbraw/zinc/29/86/01/206298601.db2.gz BYRJSQMPKIOQPT-INIZCTEOSA-N 1 0 327.476 3.385 20 70 EGIDRO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000160490184 206300725 /nfs/dbraw/zinc/30/07/25/206300725.db2.gz NGVKBLSSTOGVEC-CMJOXMDJSA-N 1 0 334.529 3.482 20 70 EGIDRO COc1cc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)ccc1C ZINC000160863022 206316513 /nfs/dbraw/zinc/31/65/13/206316513.db2.gz QLXUCKPFBKFTAI-UHFFFAOYSA-N 1 0 347.503 3.267 20 70 EGIDRO O=C(c1cc(C2CC2)nc2ccc(Cl)cc21)N1CCC[NH2+]CC1 ZINC000160856066 206316776 /nfs/dbraw/zinc/31/67/76/206316776.db2.gz IXCPWCSVUOYIOU-UHFFFAOYSA-N 1 0 329.831 3.201 20 70 EGIDRO CC[C@@H]([NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@H](C)C2)cc1)C1CC1 ZINC000160951948 206319236 /nfs/dbraw/zinc/31/92/36/206319236.db2.gz DBLZBCGXMLGLKF-SPYBWZPUSA-N 1 0 330.472 3.214 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)Oc2ccc(SC)cc2)CC1 ZINC000161031926 206323409 /nfs/dbraw/zinc/32/34/09/206323409.db2.gz JKFGRHKIQBGTMS-CQSZACIVSA-N 1 0 336.501 3.024 20 70 EGIDRO Cc1cccc2c(CCC(=O)NC[C@H](C)C[NH+]3CCCC3)c[nH]c21 ZINC000161073940 206326136 /nfs/dbraw/zinc/32/61/36/206326136.db2.gz MHGOPVOQQFQEMK-HNNXBMFYSA-N 1 0 327.472 3.257 20 70 EGIDRO CS[C@@H]1CCCCN(C(=O)NC[C@H](c2cccs2)[NH+](C)C)C1 ZINC000161125468 206329959 /nfs/dbraw/zinc/32/99/59/206329959.db2.gz OOPWZXJNKZKLMD-ZIAGYGMSSA-N 1 0 341.546 3.278 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)[C@@H](CC)Oc2ccccc2Cl)CC1 ZINC000161112089 206330163 /nfs/dbraw/zinc/33/01/63/206330163.db2.gz TZLRKQOOTSMORK-MRXNPFEDSA-N 1 0 338.879 3.346 20 70 EGIDRO O=C(NC[C@@H]1CCC[N@H+](Cc2ccncc2)C1)Nc1cccc(F)c1 ZINC000160621240 206306026 /nfs/dbraw/zinc/30/60/26/206306026.db2.gz LQSXNEUEPTWIDV-INIZCTEOSA-N 1 0 342.418 3.254 20 70 EGIDRO C[C@@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000161245838 206337922 /nfs/dbraw/zinc/33/79/22/206337922.db2.gz HRCZPBAPVNABNV-WNYOCNMUSA-N 1 0 338.426 3.245 20 70 EGIDRO CC[C@@H]([NH2+]C[C@H](O)c1cccc(OC)c1)c1ccc(OC)c(OC)c1 ZINC000161318498 206340199 /nfs/dbraw/zinc/34/01/99/206340199.db2.gz TUMQEHDZPZSHEP-MSOLQXFVSA-N 1 0 345.439 3.487 20 70 EGIDRO C[C@]1(C(=O)Nc2cccc(NC(=O)c3ccccc3)c2)CCC[NH2+]C1 ZINC000161343005 206341133 /nfs/dbraw/zinc/34/11/33/206341133.db2.gz ACIHZTUKVMFINO-FQEVSTJZSA-N 1 0 337.423 3.267 20 70 EGIDRO C[C@@H](COc1ccc(F)cc1F)[NH2+]C1CCC2(CC1)OCCO2 ZINC000161356102 206343204 /nfs/dbraw/zinc/34/32/04/206343204.db2.gz QULLKZUZZCIZRY-LBPRGKRZSA-N 1 0 327.371 3.007 20 70 EGIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000161487043 206351399 /nfs/dbraw/zinc/35/13/99/206351399.db2.gz QDUFJVRDRCTSAQ-CRAIPNDOSA-N 1 0 340.423 3.070 20 70 EGIDRO O=C(Cc1ccc(OC(F)F)cc1)NCC[NH2+]C1CCCCCC1 ZINC000159662143 140943677 /nfs/dbraw/zinc/94/36/77/140943677.db2.gz UVGUQKRBERTWHC-UHFFFAOYSA-N 1 0 340.414 3.259 20 70 EGIDRO C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](CCO)c1ccccc1 ZINC000161080386 298284756 /nfs/dbraw/zinc/28/47/56/298284756.db2.gz QCBWXDGMZRYZQB-VQIMIIECSA-N 1 0 326.440 3.141 20 70 EGIDRO CC(C)CC[C@](C)(O)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000159379233 307872737 /nfs/dbraw/zinc/87/27/37/307872737.db2.gz LQZCMQACCHPDCD-BEFAXECRSA-N 1 0 334.460 3.481 20 70 EGIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc([S@@](C)=O)cc1 ZINC000159400071 307873224 /nfs/dbraw/zinc/87/32/24/307873224.db2.gz BWUTWSLJBVBSBF-DEOSSOPVSA-N 1 0 344.524 3.424 20 70 EGIDRO CC[NH+](CC)Cc1cccc(CNC(=O)Cc2c(C)noc2Cl)c1 ZINC000160534894 307891302 /nfs/dbraw/zinc/89/13/02/307891302.db2.gz XDANSEMJQUIZDC-UHFFFAOYSA-N 1 0 349.862 3.337 20 70 EGIDRO Cc1cc(OCC(=O)N2CC[C@@H]([NH+]3CCCC3)C2)cc(C)c1Cl ZINC000161330139 307901463 /nfs/dbraw/zinc/90/14/63/307901463.db2.gz CDYITKIWBXXLJJ-OAHLLOKOSA-N 1 0 336.863 3.032 20 70 EGIDRO CC[C@H]([NH2+][C@@H](C)c1ccccn1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC000159383001 455373821 /nfs/dbraw/zinc/37/38/21/455373821.db2.gz JIFNGYXDKYQTBE-CUWPLCDZSA-N 1 0 339.483 3.412 20 70 EGIDRO O=C(c1ccc(OCc2ccccc2)cc1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159580580 455387146 /nfs/dbraw/zinc/38/71/46/455387146.db2.gz WOIBVACXIXJFOE-KDURUIRLSA-N 1 0 336.435 3.232 20 70 EGIDRO C[C@H](NC(=O)C1([NH3+])CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159617002 455389508 /nfs/dbraw/zinc/38/95/08/455389508.db2.gz GDYQXIBYXWYWMT-NSHDSACASA-N 1 0 348.834 3.229 20 70 EGIDRO C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160213926 455438496 /nfs/dbraw/zinc/43/84/96/455438496.db2.gz RNHQOCTULVQPLI-IRXDYDNUSA-N 1 0 337.467 3.468 20 70 EGIDRO CC(C)c1ccc([C@@H](C)CC(=O)NC[C@@H](O)C[NH+]2CCCCC2)cc1 ZINC000160387600 455454252 /nfs/dbraw/zinc/45/42/52/455454252.db2.gz FKXBMYQKMGKDMY-FXAWDEMLSA-N 1 0 346.515 3.267 20 70 EGIDRO C[C@@H]1CC(=O)CC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000160727782 455493142 /nfs/dbraw/zinc/49/31/42/455493142.db2.gz RHHIPNNTJJHCEB-SJLPKXTDSA-N 1 0 334.504 3.297 20 70 EGIDRO CC(C)c1csc(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000160792292 455498695 /nfs/dbraw/zinc/49/86/95/455498695.db2.gz PSMWLBWERXRNBR-AWEZNQCLSA-N 1 0 338.521 3.330 20 70 EGIDRO CCN(CC(=O)c1c[nH]c2ccc(C(=O)OC)cc21)Cc1ccoc1 ZINC000160835732 455503969 /nfs/dbraw/zinc/50/39/69/455503969.db2.gz CJHMJVYJNOEQJS-UHFFFAOYSA-N 1 0 340.379 3.252 20 70 EGIDRO COc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1OC(F)F ZINC000159562686 455384836 /nfs/dbraw/zinc/38/48/36/455384836.db2.gz OUHRSBTYCFZNKH-MAZHCROVSA-N 1 0 339.382 3.344 20 70 EGIDRO CN(CC[N@H+](C)CC1CCN(C(=O)C(C)(C)C)CC1)c1ccccc1 ZINC000159555386 455385573 /nfs/dbraw/zinc/38/55/73/455385573.db2.gz XEZOEVFVIHXFDL-UHFFFAOYSA-N 1 0 345.531 3.339 20 70 EGIDRO CCOCc1ccc(CNC(=O)C[N@@H+]2CC[C@@H]3CCCC[C@@H]32)cc1 ZINC000159728619 455398095 /nfs/dbraw/zinc/39/80/95/455398095.db2.gz LPUPMNOAYFZNFM-OALUTQOASA-N 1 0 330.472 3.104 20 70 EGIDRO CN(C)c1cccc(C[N@H+](C)CCC(=O)Nc2cccc(F)c2)c1 ZINC000159865228 455409983 /nfs/dbraw/zinc/40/99/83/455409983.db2.gz NFWDOEHXUMKXDP-UHFFFAOYSA-N 1 0 329.419 3.352 20 70 EGIDRO COc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000159862880 455410034 /nfs/dbraw/zinc/41/00/34/455410034.db2.gz OYYNQUAVNCHHAP-HNNXBMFYSA-N 1 0 341.455 3.220 20 70 EGIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@@H](OC(C)(C)C)c3ccccc3)CC[C@H]21 ZINC000160089578 455427419 /nfs/dbraw/zinc/42/74/19/455427419.db2.gz VSWQYDMLGDUDRQ-QRVBRYPASA-N 1 0 344.499 3.486 20 70 EGIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000160480105 455464374 /nfs/dbraw/zinc/46/43/74/455464374.db2.gz JIBZDMXKCIEXNQ-RTBURBONSA-N 1 0 329.488 3.135 20 70 EGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCC(=O)c1ccc(F)cc1 ZINC000160491898 455465839 /nfs/dbraw/zinc/46/58/39/455465839.db2.gz HSCYQHJPXDYTIL-QGZVFWFLSA-N 1 0 334.435 3.025 20 70 EGIDRO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H](C)c1cccc(OC)c1 ZINC000160692228 455488553 /nfs/dbraw/zinc/48/85/53/455488553.db2.gz YIJNDTGTDRRIAI-CRAIPNDOSA-N 1 0 345.487 3.272 20 70 EGIDRO CC(C)n1nccc1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000160796593 455499479 /nfs/dbraw/zinc/49/94/79/455499479.db2.gz BLFYBKVQBUGRLL-UHFFFAOYSA-N 1 0 332.492 3.192 20 70 EGIDRO COc1cc([C@@H](C)[NH2+]Cc2ccc(C)s2)ccc1S(C)(=O)=O ZINC000160922864 455513855 /nfs/dbraw/zinc/51/38/55/455513855.db2.gz CXKYEOAOYBNDBR-GFCCVEGCSA-N 1 0 339.482 3.319 20 70 EGIDRO C[C@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cnc2ccccn12 ZINC000160935261 455515594 /nfs/dbraw/zinc/51/55/94/455515594.db2.gz KQFSQAFHXBQXLA-QKFKETGDSA-N 1 0 327.453 3.265 20 70 EGIDRO O[C@@H](c1ccc(F)cc1)C1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000161023323 455524812 /nfs/dbraw/zinc/52/48/12/455524812.db2.gz ZJOPMGZXQMHAOL-FQEVSTJZSA-N 1 0 334.479 3.447 20 70 EGIDRO COc1ccc2nc(C)cc(C(=O)NC[C@H](C)C[NH+]3CCCC3)c2c1 ZINC000161073681 455530051 /nfs/dbraw/zinc/53/00/51/455530051.db2.gz CRBZFNZMRNQJKM-AWEZNQCLSA-N 1 0 341.455 3.014 20 70 EGIDRO Cc1ccc(NC(=O)[C@@H]2CCn3ccnc3C2)cc1OCC(F)F ZINC000161157145 455540833 /nfs/dbraw/zinc/54/08/33/455540833.db2.gz LOMSSHGPVARXCD-GFCCVEGCSA-N 1 0 335.354 3.037 20 70 EGIDRO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161222624 455549509 /nfs/dbraw/zinc/54/95/09/455549509.db2.gz YBOOUENHLRVGLY-LSDHHAIUSA-N 1 0 329.469 3.042 20 70 EGIDRO COC(=O)[C@H](C)[C@H]([NH2+]Cc1c(C)nc2ccccn21)c1ccccc1 ZINC000161289530 455555443 /nfs/dbraw/zinc/55/54/43/455555443.db2.gz LIFAXLHMJSZKKQ-KUHUBIRLSA-N 1 0 337.423 3.283 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC000161413086 455567565 /nfs/dbraw/zinc/56/75/65/455567565.db2.gz XNFRFPREQZZYHW-DLBZAZTESA-N 1 0 329.831 3.402 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000161427798 455569538 /nfs/dbraw/zinc/56/95/38/455569538.db2.gz NQJIIOHPYLQBJE-CVEARBPZSA-N 1 0 334.423 3.025 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)N2CC[NH+](C3CCCC3)CC2)n1 ZINC000161423324 455569727 /nfs/dbraw/zinc/56/97/27/455569727.db2.gz HZDADZNJSWKHSC-UHFFFAOYSA-N 1 0 333.480 3.021 20 70 EGIDRO Cc1cc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)n(-c2ccc(F)cc2)n1 ZINC000217141956 456031735 /nfs/dbraw/zinc/03/17/35/456031735.db2.gz HGRSGHWBYCJHKO-SUMWQHHRSA-N 1 0 344.434 3.427 20 70 EGIDRO COC(=O)CCC[N@@H+]1CCCC[C@H]1CCc1ccc(OC)c(OC)c1 ZINC000217223803 456032499 /nfs/dbraw/zinc/03/24/99/456032499.db2.gz PKLPBXMGRPCNDJ-KRWDZBQOSA-N 1 0 349.471 3.444 20 70 EGIDRO C[NH+](C)Cc1ccc(C(=O)NCC2(c3ccc(F)cc3)CC2)cc1 ZINC000160387122 517908758 /nfs/dbraw/zinc/90/87/58/517908758.db2.gz FBCKJYCWKHWTRD-UHFFFAOYSA-N 1 0 326.415 3.349 20 70 EGIDRO CC[NH+](CC)[C@H](CNC(=O)c1cc(C)ncn1)c1ccccc1Cl ZINC000161406770 546955313 /nfs/dbraw/zinc/95/53/13/546955313.db2.gz KQKBVPSHSDLSEZ-QGZVFWFLSA-N 1 0 346.862 3.251 20 70 EGIDRO [NH3+]CCOc1ccc(NC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000160966488 201415258 /nfs/dbraw/zinc/41/52/58/201415258.db2.gz XIRNAOUPHAQNAR-NEPJUHHUSA-N 1 0 330.350 3.331 20 70 EGIDRO Cc1ccc(C(=O)N[C@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000161101037 205214093 /nfs/dbraw/zinc/21/40/93/205214093.db2.gz POMXAMADTROONT-CYBMUJFWSA-N 1 0 339.277 3.362 20 70 EGIDRO CC[C@@H](CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(OC)cc1 ZINC000159456277 206246951 /nfs/dbraw/zinc/24/69/51/206246951.db2.gz HWUNQWMTNFOPBS-JQHSSLGASA-N 1 0 330.472 3.274 20 70 EGIDRO Fc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1-n1ccnc1 ZINC000159604996 206254433 /nfs/dbraw/zinc/25/44/33/206254433.db2.gz MXCYHHQRIIGLGA-WBAXXEDZSA-N 1 0 327.403 3.059 20 70 EGIDRO Fc1cc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)ccc1-n1ccnc1 ZINC000159604848 206254626 /nfs/dbraw/zinc/25/46/26/206254626.db2.gz MXCYHHQRIIGLGA-QGTPRVQTSA-N 1 0 327.403 3.059 20 70 EGIDRO Cc1c(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)cnn1C ZINC000159644396 206256452 /nfs/dbraw/zinc/25/64/52/206256452.db2.gz JOOUTHAAIHZXEU-UHFFFAOYSA-N 1 0 332.879 3.136 20 70 EGIDRO Cc1ccc([C@@H](C[NH2+]Cc2cc(F)cc(F)c2)N2CCOCC2)o1 ZINC000159655720 206258073 /nfs/dbraw/zinc/25/80/73/206258073.db2.gz JRJNHZPUDORBQL-QGZVFWFLSA-N 1 0 336.382 3.029 20 70 EGIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159807934 206263970 /nfs/dbraw/zinc/26/39/70/206263970.db2.gz DLNJBUXJBDBVHF-AEFFLSMTSA-N 1 0 328.843 3.226 20 70 EGIDRO CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCC(=O)C[C@@H]1C)Cc1ccccc1 ZINC000159854353 206267189 /nfs/dbraw/zinc/26/71/89/206267189.db2.gz UKUHLKWPAZOKSN-ILZDJORESA-N 1 0 344.499 3.061 20 70 EGIDRO CCOc1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000160227025 206284336 /nfs/dbraw/zinc/28/43/36/206284336.db2.gz IKSKJFPLHLJWCO-UHFFFAOYSA-N 1 0 347.503 3.349 20 70 EGIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000160183705 206283728 /nfs/dbraw/zinc/28/37/28/206283728.db2.gz PVLWKKLXWURWJA-CQSZACIVSA-N 1 0 340.423 3.058 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cccc(OC(F)(F)F)c1)CC2 ZINC000160560535 206302803 /nfs/dbraw/zinc/30/28/03/206302803.db2.gz WIMYOJLDFWFGMW-ZWNOBZJWSA-N 1 0 340.349 3.151 20 70 EGIDRO C[C@H]([NH2+]CCOc1ccccc1Br)C1CCOCC1 ZINC000160914380 206317940 /nfs/dbraw/zinc/31/79/40/206317940.db2.gz GFJNQCXOMUMXBA-LBPRGKRZSA-N 1 0 328.250 3.233 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)CCc2ncc(-c3ccccc3)o2)CC1 ZINC000161037572 206325528 /nfs/dbraw/zinc/32/55/28/206325528.db2.gz FYFOKACMMHDZIS-UHFFFAOYSA-N 1 0 341.455 3.122 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)Cc2csc(-c3cccs3)n2)CC1 ZINC000161121791 206329747 /nfs/dbraw/zinc/32/97/47/206329747.db2.gz LEXBFLCUCANCHV-UHFFFAOYSA-N 1 0 349.525 3.262 20 70 EGIDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000161303104 206340422 /nfs/dbraw/zinc/34/04/22/206340422.db2.gz MXKYAAPXKHGWPR-KSSFIOAISA-N 1 0 345.439 3.405 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)c2sccc2C)c1 ZINC000161441503 206348387 /nfs/dbraw/zinc/34/83/87/206348387.db2.gz JPFXZSOSPVJABP-CHWSQXEVSA-N 1 0 338.498 3.376 20 70 EGIDRO CS[C@@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000161123026 140968175 /nfs/dbraw/zinc/96/81/75/140968175.db2.gz OANNUZOJGIFCFR-DLBZAZTESA-N 1 0 332.513 3.098 20 70 EGIDRO COc1ccccc1C[C@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161450845 140973109 /nfs/dbraw/zinc/97/31/09/140973109.db2.gz HIFDKXQDAVPKKG-QTXGHNMQSA-N 1 0 330.472 3.005 20 70 EGIDRO O=C(C[C@@H]1CCC[NH2+]1)NC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000161322099 225601233 /nfs/dbraw/zinc/60/12/33/225601233.db2.gz OEKNUBVYVQWWKC-AWEZNQCLSA-N 1 0 326.362 3.343 20 70 EGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000160471395 264874365 /nfs/dbraw/zinc/87/43/65/264874365.db2.gz HFPWCISWNPNPAI-NMLBUPMWSA-N 1 0 348.531 3.087 20 70 EGIDRO Cc1c(NC(=O)NCCC2CC[NH+](C)CC2)cnn1CCC(C)C ZINC000161359800 264892223 /nfs/dbraw/zinc/89/22/23/264892223.db2.gz NTVDYQUQQHSCTA-UHFFFAOYSA-N 1 0 335.496 3.091 20 70 EGIDRO C(CN1CCC[C@@H](c2nnc3n2CCCCC3)C1)C[NH+]1CCCCC1 ZINC000161267251 275391198 /nfs/dbraw/zinc/39/11/98/275391198.db2.gz ZBHATQOYMPICQV-GOSISDBHSA-N 1 0 345.535 3.060 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H]2CCSc3c(F)cccc32)CC1 ZINC000159659343 276161936 /nfs/dbraw/zinc/16/19/36/276161936.db2.gz GBKGAQYQPUYBJP-OAHLLOKOSA-N 1 0 337.464 3.100 20 70 EGIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1Br ZINC000160578108 276593512 /nfs/dbraw/zinc/59/35/12/276593512.db2.gz CZKPFIPBGYYEAA-WFASDCNBSA-N 1 0 349.276 3.405 20 70 EGIDRO CC(=O)Nc1ccccc1C[NH2+]C[C@@H](c1ccc(C)o1)N1CCCC1 ZINC000160378468 277089682 /nfs/dbraw/zinc/08/96/82/277089682.db2.gz ULOARGKIHFOVER-IBGZPJMESA-N 1 0 341.455 3.473 20 70 EGIDRO [NH3+][C@H](C(=O)N1CCC(C(F)(F)F)(C(F)(F)F)C1)c1ccccc1 ZINC000161083194 295327066 /nfs/dbraw/zinc/32/70/66/295327066.db2.gz SQVBEOXGIKHJMH-JTQLQIEISA-N 1 0 340.267 3.030 20 70 EGIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000160002932 307883350 /nfs/dbraw/zinc/88/33/50/307883350.db2.gz YIUUPSKTHRKVBJ-CRAIPNDOSA-N 1 0 348.535 3.393 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@@H](C(CC)CC)[NH+](C)C)c1C ZINC000160165692 307885772 /nfs/dbraw/zinc/88/57/72/307885772.db2.gz HJERFBBVXAVNOO-KRWDZBQOSA-N 1 0 337.512 3.480 20 70 EGIDRO CC[C@H](C(=O)NCC(C)(C)c1cccc(Br)c1)[NH+](C)C ZINC000160350230 307888416 /nfs/dbraw/zinc/88/84/16/307888416.db2.gz HDECJIFIRPTOHY-CQSZACIVSA-N 1 0 341.293 3.183 20 70 EGIDRO CCN(CC)C(=O)C1([NH2+]Cc2c(C)nc3ccccn32)CCCCC1 ZINC000160469135 307890115 /nfs/dbraw/zinc/89/01/15/307890115.db2.gz GNKVAVBNKUBLPR-UHFFFAOYSA-N 1 0 342.487 3.304 20 70 EGIDRO CC[NH+]1CCC(CNC(=O)c2ccc(C)cc2Br)CC1 ZINC000161156797 307899399 /nfs/dbraw/zinc/89/93/99/307899399.db2.gz RKCSDQAXYOZCSS-UHFFFAOYSA-N 1 0 339.277 3.219 20 70 EGIDRO CC[C@H]([NH2+]CC1(c2ccc(Br)cc2)CCCC1)C(N)=O ZINC000161219830 307900332 /nfs/dbraw/zinc/90/03/32/307900332.db2.gz NFJFTTGWCVEDQF-AWEZNQCLSA-N 1 0 339.277 3.114 20 70 EGIDRO CCCCOc1ncccc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161223342 307900336 /nfs/dbraw/zinc/90/03/36/307900336.db2.gz KQYBDVXRQLWCDL-UHFFFAOYSA-N 1 0 341.455 3.252 20 70 EGIDRO CC(C)OCCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(Cl)cn2)C1 ZINC000159383793 455373424 /nfs/dbraw/zinc/37/34/24/455373424.db2.gz QPUFDJCMRMSGDC-CQSZACIVSA-N 1 0 339.867 3.201 20 70 EGIDRO CCC[NH2+]CCNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000159645413 455392623 /nfs/dbraw/zinc/39/26/23/455392623.db2.gz UDWIYASFDQEJLH-UHFFFAOYSA-N 1 0 335.245 3.332 20 70 EGIDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000159645899 455393087 /nfs/dbraw/zinc/39/30/87/455393087.db2.gz ASRKUWMIBZWMMF-LLVKDONJSA-N 1 0 333.229 3.036 20 70 EGIDRO CCO[C@H]1C[C@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C1(C)C ZINC000159794677 455404757 /nfs/dbraw/zinc/40/47/57/455404757.db2.gz JYINMCDFNAMPML-IRXDYDNUSA-N 1 0 338.536 3.407 20 70 EGIDRO C[N@H+](CC(=O)N(Cc1ccc(F)cc1)CC1CC1)[C@H]1CCSC1 ZINC000159963421 455419466 /nfs/dbraw/zinc/41/94/66/455419466.db2.gz WOQAPKZPHWAVSR-KRWDZBQOSA-N 1 0 336.476 3.002 20 70 EGIDRO CSCC[C@@H]([NH3+])C(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl ZINC000160083531 455427745 /nfs/dbraw/zinc/42/77/45/455427745.db2.gz WKONDQUEOKSILT-NEPJUHHUSA-N 1 0 333.284 3.177 20 70 EGIDRO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000160378985 455453035 /nfs/dbraw/zinc/45/30/35/455453035.db2.gz QHFVRZKTRHCKEA-KYJSFNMBSA-N 1 0 334.891 3.461 20 70 EGIDRO C[C@@H]1CCC[N@H+](CCCCNC(=O)NC[C@]2(C)CCCS2)C1 ZINC000160398533 455455331 /nfs/dbraw/zinc/45/53/31/455455331.db2.gz FCUQYMDMKBJPNA-WBVHZDCISA-N 1 0 327.538 3.083 20 70 EGIDRO O=C(Cc1csc(-c2ccoc2)n1)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000159397561 455374072 /nfs/dbraw/zinc/37/40/72/455374072.db2.gz FPEAFONYPLAWSP-INIZCTEOSA-N 1 0 345.468 3.032 20 70 EGIDRO COCCN(C)CC[NH2+][C@@H](C)c1cc(Cl)ccc1OC(F)F ZINC000159401431 455374264 /nfs/dbraw/zinc/37/42/64/455374264.db2.gz XDKSXMWSKQCCBG-NSHDSACASA-N 1 0 336.810 3.170 20 70 EGIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 ZINC000159423466 455376106 /nfs/dbraw/zinc/37/61/06/455376106.db2.gz XETSLGKATAVODE-ZDUSSCGKSA-N 1 0 336.486 3.214 20 70 EGIDRO CCOCCC[N@@H+]1CC[C@H](Nc2nc(C(C)(C)C)ns2)[C@H](C)C1 ZINC000159516574 455381960 /nfs/dbraw/zinc/38/19/60/455381960.db2.gz MOVKWKRZQIADGR-KGLIPLIRSA-N 1 0 340.537 3.385 20 70 EGIDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)C(C)C)c(OC(C)C)c1 ZINC000159560165 455385014 /nfs/dbraw/zinc/38/50/14/455385014.db2.gz AYJFPSXSGZHTNJ-UHFFFAOYSA-N 1 0 335.492 3.264 20 70 EGIDRO C[C@H]1CC[C@H](C)[NH+]1CCN1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000159655581 455393336 /nfs/dbraw/zinc/39/33/36/455393336.db2.gz PQTUIRPVOUFONF-ROUUACIJSA-N 1 0 349.563 3.220 20 70 EGIDRO [NH3+][C@@H](CNC(=O)c1ccc2cc(Br)ccc2c1)C1CC1 ZINC000159656090 455393452 /nfs/dbraw/zinc/39/34/52/455393452.db2.gz VQWZFWHCDQRJEM-HNNXBMFYSA-N 1 0 333.229 3.069 20 70 EGIDRO Cc1ccc(C)c([C@H](C)[N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000159763375 455401280 /nfs/dbraw/zinc/40/12/80/455401280.db2.gz XBUZPSQWGNZHID-INIZCTEOSA-N 1 0 343.471 3.161 20 70 EGIDRO CCCCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1(C)C ZINC000159805990 455405997 /nfs/dbraw/zinc/40/59/97/455405997.db2.gz XRIUQKHGBRTKJI-ROUUACIJSA-N 1 0 348.487 3.458 20 70 EGIDRO O=C(NCCOC1CCCCCC1)C1(c2ccccc2)CC[NH2+]CC1 ZINC000160088011 455427233 /nfs/dbraw/zinc/42/72/33/455427233.db2.gz HGQBKEZDINCQSL-UHFFFAOYSA-N 1 0 344.499 3.163 20 70 EGIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2cccn2C)C1 ZINC000160080526 455427681 /nfs/dbraw/zinc/42/76/81/455427681.db2.gz KFOBWICJRCLFOV-MRXNPFEDSA-N 1 0 334.508 3.067 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C ZINC000160119936 455431005 /nfs/dbraw/zinc/43/10/05/455431005.db2.gz JUBHFLUPDHIDPA-OAHLLOKOSA-N 1 0 349.504 3.478 20 70 EGIDRO C[C@H]([NH2+]CCOc1cccc(Cl)c1)c1ccc(-n2cnnn2)cc1 ZINC000160261471 455442552 /nfs/dbraw/zinc/44/25/52/455442552.db2.gz HPVLNIPYLRIWGB-ZDUSSCGKSA-N 1 0 343.818 3.045 20 70 EGIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cc(Cl)ccc1OC ZINC000160352040 455450519 /nfs/dbraw/zinc/45/05/19/455450519.db2.gz MMENBKBWOBDHAB-ZFWWWQNUSA-N 1 0 334.851 3.304 20 70 EGIDRO C[N@H+](Cc1ccncc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160471374 455463231 /nfs/dbraw/zinc/46/32/31/455463231.db2.gz CUHUEFRZOCXGOX-SJPCQFCGSA-N 1 0 331.460 3.444 20 70 EGIDRO COc1cc(CCC(=O)NC2CC[NH+](C(C)C)CC2)ccc1Cl ZINC000161074093 455529976 /nfs/dbraw/zinc/52/99/76/455529976.db2.gz SNGZVJIRDRBELT-UHFFFAOYSA-N 1 0 338.879 3.270 20 70 EGIDRO Fc1ccc(C[N@@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c(Cl)c1 ZINC000161409156 455567461 /nfs/dbraw/zinc/56/74/61/455567461.db2.gz YBHRHSZXDFMZMG-CYBMUJFWSA-N 1 0 334.826 3.396 20 70 EGIDRO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160286573 546946130 /nfs/dbraw/zinc/94/61/30/546946130.db2.gz SOXGKURBUVUAOW-RCCFBDPRSA-N 1 0 327.472 3.337 20 70 EGIDRO CC[NH+](CC)CCCNC(=O)NC[C@H](OC)c1ccccc1Cl ZINC000160662283 546950276 /nfs/dbraw/zinc/95/02/76/546950276.db2.gz UONBUCDFIFAXOC-INIZCTEOSA-N 1 0 341.883 3.059 20 70 EGIDRO CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H](C)c2ccncc2)CC1 ZINC000161050046 546952322 /nfs/dbraw/zinc/95/23/22/546952322.db2.gz KAFLPJOXKSZBOB-QGZVFWFLSA-N 1 0 331.504 3.450 20 70 EGIDRO C[C@@H](CC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccncc1 ZINC000161420895 546955992 /nfs/dbraw/zinc/95/59/92/546955992.db2.gz IRGXJRXENAWNDW-HNNXBMFYSA-N 1 0 331.485 3.227 20 70 EGIDRO [NH3+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000159652823 283512497 /nfs/dbraw/zinc/51/24/97/283512497.db2.gz HENKPNQOWWPETC-ZBFHGGJFSA-N 1 0 347.256 3.460 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)cc1 ZINC000159371945 206243182 /nfs/dbraw/zinc/24/31/82/206243182.db2.gz YLPREVLWACWJLD-CABCVRRESA-N 1 0 347.480 3.468 20 70 EGIDRO CC1CCN(c2cccc(NC(=O)NC3CC[NH+](C)CC3)c2)CC1 ZINC000159743289 206260144 /nfs/dbraw/zinc/26/01/44/206260144.db2.gz OMMYGVVTIGROMC-UHFFFAOYSA-N 1 0 330.476 3.139 20 70 EGIDRO Cc1ccc([C@H](C[NH2+]Cc2cc(F)cc(F)c2)N2CCOCC2)o1 ZINC000159655837 206257997 /nfs/dbraw/zinc/25/79/97/206257997.db2.gz JRJNHZPUDORBQL-KRWDZBQOSA-N 1 0 336.382 3.029 20 70 EGIDRO C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@H]1CCC[C@@H]1O ZINC000159512316 206249543 /nfs/dbraw/zinc/24/95/43/206249543.db2.gz VJBUMESQXXGEJY-YGRLFVJLSA-N 1 0 328.243 3.234 20 70 EGIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000159580273 206252552 /nfs/dbraw/zinc/25/25/52/206252552.db2.gz LTRLXRFFWFUCAB-IBGZPJMESA-N 1 0 344.503 3.455 20 70 EGIDRO O=C(c1ccc2ccc(Cl)cc2n1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159788744 206263529 /nfs/dbraw/zinc/26/35/29/206263529.db2.gz HBRCBBIIWHUCPE-UHFFFAOYSA-N 1 0 343.858 3.492 20 70 EGIDRO CC[NH+]1CCN(Cc2ccc(NC(=O)CCCCSC)cc2)CC1 ZINC000159803240 206264369 /nfs/dbraw/zinc/26/43/69/206264369.db2.gz ZEYCVDIUAXDPTA-UHFFFAOYSA-N 1 0 349.544 3.296 20 70 EGIDRO O=C(CCCc1ccc(F)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159809991 206265274 /nfs/dbraw/zinc/26/52/74/206265274.db2.gz OJNONXZHDXMRDS-UHFFFAOYSA-N 1 0 336.426 3.278 20 70 EGIDRO COCCOc1ccc([C@@H](C)[NH2+]C[C@@](C)(O)c2ccsc2)cc1 ZINC000159949880 206271411 /nfs/dbraw/zinc/27/14/11/206271411.db2.gz DCEWTZRMFJJEPV-RDTXWAMCSA-N 1 0 335.469 3.332 20 70 EGIDRO CC1(C)C[C@H](NC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2O1 ZINC000160343462 206291490 /nfs/dbraw/zinc/29/14/90/206291490.db2.gz KKKGZUXJZXFMRK-BTFYYFJDSA-N 1 0 328.456 3.326 20 70 EGIDRO COC1(C(=O)Nc2ccc(C)c(OCCC(C)C)c2)CC[NH2+]CC1 ZINC000160453536 206298025 /nfs/dbraw/zinc/29/80/25/206298025.db2.gz YUQZMUJCLKNSEM-UHFFFAOYSA-N 1 0 334.460 3.127 20 70 EGIDRO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000160528798 206302619 /nfs/dbraw/zinc/30/26/19/206302619.db2.gz QUGCFJAGANBQPT-QFBILLFUSA-N 1 0 330.472 3.145 20 70 EGIDRO Cc1cc(C(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(Cl)n1 ZINC000160810339 206314264 /nfs/dbraw/zinc/31/42/64/206314264.db2.gz ZHKUGBOYXUDYRY-CJNGLKHVSA-N 1 0 333.863 3.132 20 70 EGIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@H](Cc1ccccc1)C(F)(F)F ZINC000160835056 206315930 /nfs/dbraw/zinc/31/59/30/206315930.db2.gz KETRQGNZKQZWCM-WTXIUTQJSA-N 1 0 340.389 3.197 20 70 EGIDRO CCCCOC(=O)CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000161019472 206323626 /nfs/dbraw/zinc/32/36/26/206323626.db2.gz CFAHSFBQMSSRGR-UHFFFAOYSA-N 1 0 332.444 3.071 20 70 EGIDRO CC[C@H](C)NC(=O)c1cccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000161082980 206325963 /nfs/dbraw/zinc/32/59/63/206325963.db2.gz NAUKKYNUEQMMCO-IUVQAAGXSA-N 1 0 331.504 3.033 20 70 EGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCCc3c2cnn3C)c1 ZINC000161145176 206331860 /nfs/dbraw/zinc/33/18/60/206331860.db2.gz LRAYUZQHRONNFR-KSSFIOAISA-N 1 0 340.471 3.116 20 70 EGIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(SC(F)F)cc1 ZINC000160613562 206305730 /nfs/dbraw/zinc/30/57/30/206305730.db2.gz JKYJFGPTUASABC-QMMMGPOBSA-N 1 0 342.333 3.330 20 70 EGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000161175701 206332423 /nfs/dbraw/zinc/33/24/23/206332423.db2.gz JAIQBGRAWIUJTD-GOEBONIOSA-N 1 0 336.476 3.237 20 70 EGIDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000161198923 206333854 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C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000161295169 287157007 /nfs/dbraw/zinc/15/70/07/287157007.db2.gz HPNNFJVOOQQYIQ-BBWFWOEESA-N 1 0 344.503 3.295 20 70 EGIDRO O=C(CC1CCCCCC1)NC1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000160471859 264876654 /nfs/dbraw/zinc/87/66/54/264876654.db2.gz IEGSIJPIKMJZIP-RTBURBONSA-N 1 0 336.520 3.231 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H]2CCSc3c(F)cccc32)CC1 ZINC000159659481 276162455 /nfs/dbraw/zinc/16/24/55/276162455.db2.gz GBKGAQYQPUYBJP-HNNXBMFYSA-N 1 0 337.464 3.100 20 70 EGIDRO CSC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000160425369 278136855 /nfs/dbraw/zinc/13/68/55/278136855.db2.gz FZWKVXNJTMVVBB-XYJFISCASA-N 1 0 349.544 3.432 20 70 EGIDRO CCOc1c(OC)cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159503463 307875042 /nfs/dbraw/zinc/87/50/42/307875042.db2.gz PCZQEXMYTNAKPC-ZMYBRWDISA-N 1 0 347.455 3.150 20 70 EGIDRO CC(C)Oc1ccc(CC[C@H](C)NC(=O)[C@@]2(C)CCC[NH2+]C2)cc1 ZINC000161368882 307901858 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EGIDRO Cc1cc(C)cc(NC(=O)CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000216732600 574808806 /nfs/dbraw/zinc/80/88/06/574808806.db2.gz ACVFUPXZZNSVFQ-HXUWFJFHSA-N 1 0 337.467 3.231 20 70 EGIDRO O=C1[C@@H]([N@@H+]2CCC[C@@H](c3ccccc3)CC2)CCN1CC(F)(F)F ZINC000217138500 241235729 /nfs/dbraw/zinc/23/57/29/241235729.db2.gz IILXIZUYKUHWAR-CVEARBPZSA-N 1 0 340.389 3.419 20 70 EGIDRO COc1ccc(CN[C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000218118300 241299887 /nfs/dbraw/zinc/29/98/87/241299887.db2.gz MRDIOZFFXAGFQQ-GJZGRUSLSA-N 1 0 339.277 3.174 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@@H](C)Cc2ccc(O)cc2)cc1 ZINC000159371527 206242094 /nfs/dbraw/zinc/24/20/94/206242094.db2.gz YLPREVLWACWJLD-LSDHHAIUSA-N 1 0 347.480 3.468 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1Cn1cccn1 ZINC000159624699 206255703 /nfs/dbraw/zinc/25/57/03/206255703.db2.gz RJLYXHWFPRGZOU-RHSMWYFYSA-N 1 0 331.485 3.486 20 70 EGIDRO CCSCC[N@@H+]1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000159580441 206252632 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CCNC(=O)c1cccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)c1 ZINC000160183567 206282883 /nfs/dbraw/zinc/28/28/83/206282883.db2.gz PVLWKKLXWURWJA-AWEZNQCLSA-N 1 0 340.423 3.058 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccc(OCC(C)C)cc1)CC2 ZINC000160453994 206296935 /nfs/dbraw/zinc/29/69/35/206296935.db2.gz PMSITFURMWCMKS-RHSMWYFYSA-N 1 0 328.460 3.287 20 70 EGIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000160395891 206294794 /nfs/dbraw/zinc/29/47/94/206294794.db2.gz QBNPDKMJWMWXPH-BBRMVZONSA-N 1 0 344.459 3.066 20 70 EGIDRO COC(=O)c1sc(N2CCC[C@@H]2C[NH+]2CCCCC2)nc1Cl ZINC000160438032 206297388 /nfs/dbraw/zinc/29/73/88/206297388.db2.gz WEOYSPCHYBEBDR-LLVKDONJSA-N 1 0 343.880 3.038 20 70 EGIDRO c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000160974250 206320453 /nfs/dbraw/zinc/32/04/53/206320453.db2.gz PVAFZOXIWLLAKI-AWEZNQCLSA-N 1 0 335.498 3.208 20 70 EGIDRO CCCC[N@H+](C)CC1CCN(C(=O)c2ccnc(Cl)c2F)CC1 ZINC000160992543 206322901 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CCOC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)C[C@@H]1C ZINC000161482753 206352033 /nfs/dbraw/zinc/35/20/33/206352033.db2.gz NOMKNYDCULBJNP-MHORFTMASA-N 1 0 348.487 3.374 20 70 EGIDRO O=C(NCC[C@@H]1CC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000159647967 140943457 /nfs/dbraw/zinc/94/34/57/140943457.db2.gz GMSHTXFNASGBOP-LBPRGKRZSA-N 1 0 347.256 3.332 20 70 EGIDRO Cc1ncc([C@@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)c(C)n1 ZINC000159984408 140951340 /nfs/dbraw/zinc/95/13/40/140951340.db2.gz VHZVBQYMXLUPIA-GFCCVEGCSA-N 1 0 344.425 3.408 20 70 EGIDRO COCCC1(CNC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)CCCC1 ZINC000160902337 292304511 /nfs/dbraw/zinc/30/45/11/292304511.db2.gz SYTMKWVTZWQMQY-MRXNPFEDSA-N 1 0 341.540 3.249 20 70 EGIDRO C[C@@H]([NH2+][C@@H]1CCSC1)c1cc2c(cc1Br)OCCO2 ZINC000160834359 278374681 /nfs/dbraw/zinc/37/46/81/278374681.db2.gz JOUHUAHDMRNZBB-NXEZZACHSA-N 1 0 344.274 3.376 20 70 EGIDRO Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccccc1CS(C)(=O)=O ZINC000160930783 281273187 /nfs/dbraw/zinc/27/31/87/281273187.db2.gz AOHKGFAOTLBPJT-LJQANCHMSA-N 1 0 329.465 3.317 20 70 EGIDRO CC[C@@H](C)OCC(=O)NC[C@@H](c1ccccc1OC)[NH+]1CCCCC1 ZINC000159654129 307877389 /nfs/dbraw/zinc/87/73/89/307877389.db2.gz ZDPLVQWDJUJSGX-AEFFLSMTSA-N 1 0 348.487 3.154 20 70 EGIDRO CC(C)C(=O)NCCC[NH2+][C@H](C)c1ccccc1Br ZINC000159975107 307883027 /nfs/dbraw/zinc/88/30/27/307883027.db2.gz GXTCYSQWLMPZTQ-GFCCVEGCSA-N 1 0 327.266 3.262 20 70 EGIDRO CC(C)NC(=O)c1ccc(C(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000160111485 307885184 /nfs/dbraw/zinc/88/51/84/307885184.db2.gz OXWYKDNMSZPNBH-UHFFFAOYSA-N 1 0 339.439 3.139 20 70 EGIDRO CC(C)Oc1ccc(-c2nc(C(=O)NCCC[NH+](C)C)cs2)cc1 ZINC000160345162 307888192 /nfs/dbraw/zinc/88/81/92/307888192.db2.gz JFRNOMZLJCVMBS-UHFFFAOYSA-N 1 0 347.484 3.279 20 70 EGIDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000161032508 307897692 /nfs/dbraw/zinc/89/76/92/307897692.db2.gz VIXVDMNDIZRHRA-HZMBPMFUSA-N 1 0 341.402 3.018 20 70 EGIDRO FC(F)CN1CCC([NH2+][C@H]2CCOc3c(Cl)cccc32)CC1 ZINC000161281186 307901069 /nfs/dbraw/zinc/90/10/69/307901069.db2.gz BCEONLUQIBGDKI-AWEZNQCLSA-N 1 0 330.806 3.483 20 70 EGIDRO Cc1ccc(NC(=O)NC2C[C@H](C)O[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000161421717 307902721 /nfs/dbraw/zinc/90/27/21/307902721.db2.gz YDTWVLKADLJGOF-GJZGRUSLSA-N 1 0 349.475 3.013 20 70 EGIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000159508547 455381388 /nfs/dbraw/zinc/38/13/88/455381388.db2.gz ZDSNAWOMQKFKFE-ZFWWWQNUSA-N 1 0 342.405 3.342 20 70 EGIDRO COc1ccc(N(C)C(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)cc1F ZINC000159500964 455381469 /nfs/dbraw/zinc/38/14/69/455381469.db2.gz JSEMAMSACOCFHO-SFHVURJKSA-N 1 0 342.414 3.462 20 70 EGIDRO O=C1[C@@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CCCN1CC(F)(F)F ZINC000159550749 455384447 /nfs/dbraw/zinc/38/44/47/455384447.db2.gz XUPIWGAHYZLQCG-GJZGRUSLSA-N 1 0 344.352 3.346 20 70 EGIDRO C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[C@@H]1O ZINC000159580867 455387470 /nfs/dbraw/zinc/38/74/70/455387470.db2.gz YOJNTNIKXFEGRY-YGRLFVJLSA-N 1 0 331.243 3.025 20 70 EGIDRO O=C(NCCc1cc2ccccc2[nH]1)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000159579694 455387602 /nfs/dbraw/zinc/38/76/02/455387602.db2.gz ISJNERHCNAKVOH-OAQYLSRUSA-N 1 0 347.462 3.491 20 70 EGIDRO CCOc1cccc(CN(CC)Cc2nc3ccccc3c(=O)[nH]2)c1 ZINC000159875906 455411784 /nfs/dbraw/zinc/41/17/84/455411784.db2.gz KZDUSDJLXXGEKO-UHFFFAOYSA-N 1 0 337.423 3.344 20 70 EGIDRO Cc1ccc(C[N@@H+](Cc2ccccc2)[C@@H](C)CN2CCOCC2)nc1 ZINC000160099661 455428649 /nfs/dbraw/zinc/42/86/49/455428649.db2.gz SWQWELWDYIOCTH-IBGZPJMESA-N 1 0 339.483 3.113 20 70 EGIDRO CC(C)[C@H](C(=O)N(C)Cc1cccc(OC(F)(F)F)c1)[NH+](C)C ZINC000159470224 455379671 /nfs/dbraw/zinc/37/96/71/455379671.db2.gz WPLKKPUFVLOXOH-CQSZACIVSA-N 1 0 332.366 3.130 20 70 EGIDRO CC[C@@H](CC(=O)N1CC[NH+](CC2CC2)CC1)c1ccc(OC)cc1 ZINC000159529121 455383717 /nfs/dbraw/zinc/38/37/17/455383717.db2.gz ISCOCOCREKSVCH-KRWDZBQOSA-N 1 0 330.472 3.133 20 70 EGIDRO CC(C)[C@H]([NH3+])C(=O)NC[C@H](C)Sc1ccc(Br)cc1 ZINC000159657065 455393521 /nfs/dbraw/zinc/39/35/21/455393521.db2.gz SRIKEIIHVPPUKV-GWCFXTLKSA-N 1 0 345.306 3.029 20 70 EGIDRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000159721842 455398272 /nfs/dbraw/zinc/39/82/72/455398272.db2.gz DMECDTRPPDLSJQ-KYJSFNMBSA-N 1 0 334.891 3.461 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCCCCCOC2CCCCC2)CC1 ZINC000159851156 455410114 /nfs/dbraw/zinc/41/01/14/455410114.db2.gz YLCIQGRPMJLDJK-UHFFFAOYSA-N 1 0 339.524 3.243 20 70 EGIDRO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)C(C)(C)c1ccccc1 ZINC000159899326 455413720 /nfs/dbraw/zinc/41/37/20/455413720.db2.gz LROGGKKUSZZUCH-SFHVURJKSA-N 1 0 331.504 3.480 20 70 EGIDRO CN(Cc1cccn1C)C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000159928234 455416852 /nfs/dbraw/zinc/41/68/52/455416852.db2.gz CLBSRCZFRORPIS-GOSISDBHSA-N 1 0 346.519 3.211 20 70 EGIDRO Cc1n[nH]c(C)c1[C@@H](C)CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000160005984 455421697 /nfs/dbraw/zinc/42/16/97/455421697.db2.gz UQGGSYOROBXEQZ-CSLYMUCUSA-N 1 0 346.519 3.243 20 70 EGIDRO Cc1cccc([C@@H]2CCCN2CC(=O)NCCc2ccc(F)cc2)n1 ZINC000160129854 455430797 /nfs/dbraw/zinc/43/07/97/455430797.db2.gz FJNXWGHVSCTCAS-IBGZPJMESA-N 1 0 341.430 3.025 20 70 EGIDRO CCC[N@H+](CCCOCC)C1CCN(C(=O)c2ccccc2)CC1 ZINC000160197471 455437529 /nfs/dbraw/zinc/43/75/29/455437529.db2.gz WVVMSZLCIKJOLX-UHFFFAOYSA-N 1 0 332.488 3.430 20 70 EGIDRO CSC[C@@H](CCO)[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000160194051 455437617 /nfs/dbraw/zinc/43/76/17/455437617.db2.gz KGXIAHMUTXDMLD-YGRLFVJLSA-N 1 0 348.281 3.279 20 70 EGIDRO CSC[C@H](CCO)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000160193922 455437651 /nfs/dbraw/zinc/43/76/51/455437651.db2.gz KGXIAHMUTXDMLD-IINYFYTJSA-N 1 0 348.281 3.279 20 70 EGIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)Cc2c[nH]c3cc(F)ccc23)C1 ZINC000160275589 455443749 /nfs/dbraw/zinc/44/37/49/455443749.db2.gz DDAKUOHWPKUUDV-HNNXBMFYSA-N 1 0 345.462 3.478 20 70 EGIDRO COc1ccc([C@@H](CCC(C)C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160527524 455469374 /nfs/dbraw/zinc/46/93/74/455469374.db2.gz NRVOCPCLEWTZHN-OAHLLOKOSA-N 1 0 346.393 3.441 20 70 EGIDRO CC(C)n1ncc2cc(C[NH+]3CCC(c4ccnn4C)CC3)cnc21 ZINC000160526327 455469520 /nfs/dbraw/zinc/46/95/20/455469520.db2.gz RTWCNJRJYWYTFM-UHFFFAOYSA-N 1 0 338.459 3.125 20 70 EGIDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Cl)ccc1OC ZINC000160536753 455471994 /nfs/dbraw/zinc/47/19/94/455471994.db2.gz SDTADPKOIWMQMG-LLVKDONJSA-N 1 0 338.757 3.068 20 70 EGIDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1cc(Cl)ccc1OC ZINC000160536622 455472153 /nfs/dbraw/zinc/47/21/53/455472153.db2.gz SDTADPKOIWMQMG-NSHDSACASA-N 1 0 338.757 3.068 20 70 EGIDRO CCCNC(=O)c1ccc(NC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000160698036 455489113 /nfs/dbraw/zinc/48/91/13/455489113.db2.gz HSOJIDAVGLTQRN-UHFFFAOYSA-N 1 0 339.439 3.140 20 70 EGIDRO C[NH+](C)[C@H](CNC(=O)NC1(c2cccc(F)c2)CC1)c1ccccc1 ZINC000160880929 455508690 /nfs/dbraw/zinc/50/86/90/455508690.db2.gz JNUILOPXXAPRMF-GOSISDBHSA-N 1 0 341.430 3.417 20 70 EGIDRO CCOCCC1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160892631 455510024 /nfs/dbraw/zinc/51/00/24/455510024.db2.gz VUIZLCXYPPFHPS-QGZVFWFLSA-N 1 0 339.524 3.003 20 70 EGIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCC[C@@H]1c1ccc[nH]1 ZINC000160924041 455514083 /nfs/dbraw/zinc/51/40/83/455514083.db2.gz GCIWSEFBVMIHHI-SJLPKXTDSA-N 1 0 332.492 3.372 20 70 EGIDRO Cc1ccc(C(=O)c2ccccc2C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000160969808 455519270 /nfs/dbraw/zinc/51/92/70/455519270.db2.gz BQLCSOPKBKLKOM-IRXDYDNUSA-N 1 0 336.435 3.226 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H]2CCC[C@H]2c2ccccc2)cc1 ZINC000160976195 455520555 /nfs/dbraw/zinc/52/05/55/455520555.db2.gz GXBAZWOXXJDYED-VQTJNVASSA-N 1 0 338.451 3.237 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000161007011 455523367 /nfs/dbraw/zinc/52/33/67/455523367.db2.gz NGEMIXAOLUCDLR-RYUDHWBXSA-N 1 0 349.887 3.392 20 70 EGIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)Nc1cc(C2CCCCCC2)[nH]n1 ZINC000161071087 455529743 /nfs/dbraw/zinc/52/97/43/455529743.db2.gz GWNWNJIMJHGUCN-INIZCTEOSA-N 1 0 326.444 3.356 20 70 EGIDRO CC(=O)Nc1cccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c1 ZINC000161115680 455535917 /nfs/dbraw/zinc/53/59/17/455535917.db2.gz YYCAGMAMTBLDNB-ZDUSSCGKSA-N 1 0 326.396 3.267 20 70 EGIDRO CC[C@@H](NC(=O)[C@@H]1Cc2ccccc2C[NH2+]1)c1ccc(F)cc1F ZINC000161208707 455548265 /nfs/dbraw/zinc/54/82/65/455548265.db2.gz RUASNNDHOLVGJO-MSOLQXFVSA-N 1 0 330.378 3.247 20 70 EGIDRO C[C@@H]([NH2+][C@@H](C)c1ccc(F)cc1N(C)C)C(=O)NCc1ccccc1 ZINC000161208854 455548776 /nfs/dbraw/zinc/54/87/76/455548776.db2.gz QBAOJEZXLQWABY-LSDHHAIUSA-N 1 0 343.446 3.247 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)NCCCc1cccc(Br)c1 ZINC000161219299 455549801 /nfs/dbraw/zinc/54/98/01/455549801.db2.gz WBOMODQXEDPBCX-UHFFFAOYSA-N 1 0 341.293 3.263 20 70 EGIDRO CS(=O)(=O)CCCC[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000161236361 455551508 /nfs/dbraw/zinc/55/15/08/455551508.db2.gz KFQKCLFGVUBZQG-IBGZPJMESA-N 1 0 331.481 3.385 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000161271396 455554538 /nfs/dbraw/zinc/55/45/38/455554538.db2.gz LOEJCMPRZPRHSZ-WDEREUQCSA-N 1 0 335.860 3.463 20 70 EGIDRO Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCN(CC(F)(F)F)C1)CCCO2 ZINC000161269203 455555164 /nfs/dbraw/zinc/55/51/64/455555164.db2.gz CKBJBXPTCMXKPR-JSGCOSHPSA-N 1 0 332.341 3.266 20 70 EGIDRO CC(C)c1noc2nc(C3CC3)cc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)c21 ZINC000161325647 455558827 /nfs/dbraw/zinc/55/88/27/455558827.db2.gz XEIZXWZZMCIYHZ-OLZOCXBDSA-N 1 0 342.443 3.223 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000161324192 455559354 /nfs/dbraw/zinc/55/93/54/455559354.db2.gz ONAHLLIMFPAIOS-AEFFLSMTSA-N 1 0 343.471 3.205 20 70 EGIDRO Cc1c(NC(=O)N2CCC([NH+]3CCCC3)CC2)cnn1CCC(C)C ZINC000161391207 455565480 /nfs/dbraw/zinc/56/54/80/455565480.db2.gz RUONBTSFCQRUBA-UHFFFAOYSA-N 1 0 347.507 3.330 20 70 EGIDRO C[N@H+](CC(=O)N1C[C@@H](c2ccccc2)C(C)(C)C1)[C@@H]1CCSC1 ZINC000161492921 455575403 /nfs/dbraw/zinc/57/54/03/455575403.db2.gz RIWBCYSBMAWENE-SJORKVTESA-N 1 0 332.513 3.076 20 70 EGIDRO COc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000218118195 536897677 /nfs/dbraw/zinc/89/76/77/536897677.db2.gz MRDIOZFFXAGFQQ-CABCVRRESA-N 1 0 339.277 3.174 20 70 EGIDRO Cc1nccc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1Cl ZINC000159427069 546938353 /nfs/dbraw/zinc/93/83/53/546938353.db2.gz FYWUUBMEIRDOAT-OAHLLOKOSA-N 1 0 332.835 3.468 20 70 EGIDRO CC(C)[C@@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc2c(c1)OCCO2 ZINC000159628515 546940787 /nfs/dbraw/zinc/94/07/87/546940787.db2.gz BXJLRYCGIWMXJN-HXUWFJFHSA-N 1 0 341.455 3.406 20 70 EGIDRO Cc1nccc(NC(=O)N(CC[NH+](C)C)Cc2ccccn2)c1Cl ZINC000159900181 546942510 /nfs/dbraw/zinc/94/25/10/546942510.db2.gz LLIPRGDXHSXOJX-UHFFFAOYSA-N 1 0 347.850 3.034 20 70 EGIDRO Cc1c(C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)cnn1C ZINC000160267597 546945967 /nfs/dbraw/zinc/94/59/67/546945967.db2.gz DDKMJTPISFVXBE-UHFFFAOYSA-N 1 0 326.375 3.345 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCSc3c(Cl)cccc31)CC2 ZINC000160539812 546948101 /nfs/dbraw/zinc/94/81/01/546948101.db2.gz FFDNGCBCHJHXRD-SMDDNHRTSA-N 1 0 334.876 3.381 20 70 EGIDRO C[C@@H](CC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000160608265 546948617 /nfs/dbraw/zinc/94/86/17/546948617.db2.gz GCPRNWJOBUBULT-PXNSSMCTSA-N 1 0 337.467 3.356 20 70 EGIDRO C[C@H](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)c1ccncc1 ZINC000161224876 546952983 /nfs/dbraw/zinc/95/29/83/546952983.db2.gz ACXGLIVTNMGFCF-MRXNPFEDSA-N 1 0 329.488 3.489 20 70 EGIDRO CCN(CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000216707515 574808804 /nfs/dbraw/zinc/80/88/04/574808804.db2.gz GUIGMKXTAVUZDF-IBGZPJMESA-N 1 0 343.446 3.071 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H]1CCc3c1ccc(Cl)c3Cl)CC2 ZINC000160569022 282117970 /nfs/dbraw/zinc/11/79/70/282117970.db2.gz IUQROGIHAQAJJD-IINYFYTJSA-N 1 0 337.254 3.485 20 70 EGIDRO CCc1c(C(=O)NCC([NH3+])(CC)CC)cnn1-c1cccc(Cl)c1 ZINC000160416375 529480428 /nfs/dbraw/zinc/48/04/28/529480428.db2.gz BRPAPXQSWJHXJX-UHFFFAOYSA-N 1 0 348.878 3.335 20 70 EGIDRO C[NH2+]CCC1CCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000161228862 205571041 /nfs/dbraw/zinc/57/10/41/205571041.db2.gz BLTSWWYAZCMMIX-UHFFFAOYSA-N 1 0 339.277 3.219 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(C)cc2Br)CC1 ZINC000161235776 205573072 /nfs/dbraw/zinc/57/30/72/205573072.db2.gz NQLSUUFJRXJEHB-UHFFFAOYSA-N 1 0 339.277 3.219 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+][C@H](C)Cc2ccc(O)cc2)cc1 ZINC000159371805 206243383 /nfs/dbraw/zinc/24/33/83/206243383.db2.gz YLPREVLWACWJLD-HUUCEWRRSA-N 1 0 347.480 3.468 20 70 EGIDRO CCCOc1cccc(NC(=O)N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000159417816 206245833 /nfs/dbraw/zinc/24/58/33/206245833.db2.gz KYHSOUXHJVRMPV-QAPCUYQASA-N 1 0 331.460 3.423 20 70 EGIDRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000159449131 206247316 /nfs/dbraw/zinc/24/73/16/206247316.db2.gz CWZLIFDAOACSLQ-KGLIPLIRSA-N 1 0 331.847 3.438 20 70 EGIDRO O=C(CCOc1ccc(Cl)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159756627 206262512 /nfs/dbraw/zinc/26/25/12/206262512.db2.gz CJCDAHSANOIBSQ-UHFFFAOYSA-N 1 0 336.863 3.100 20 70 EGIDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000160136297 206280938 /nfs/dbraw/zinc/28/09/38/206280938.db2.gz CLOWWWNUOWJKHJ-SWLSCSKDSA-N 1 0 328.378 3.094 20 70 EGIDRO CSC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000160425625 206298155 /nfs/dbraw/zinc/29/81/55/206298155.db2.gz FZWKVXNJTMVVBB-BQFCYCMXSA-N 1 0 349.544 3.432 20 70 EGIDRO Cc1cc2cc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)oc2cc1C ZINC000160537132 206304068 /nfs/dbraw/zinc/30/40/68/206304068.db2.gz OYHORTCVFRGAPU-LLVKDONJSA-N 1 0 328.334 3.379 20 70 EGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000160763536 206312538 /nfs/dbraw/zinc/31/25/38/206312538.db2.gz UULJJZODNIETGS-CMKODMSKSA-N 1 0 345.531 3.134 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](CC(C)C)c2ccccn2)cc1 ZINC000160959078 206320822 /nfs/dbraw/zinc/32/08/22/206320822.db2.gz SUPHWYXJVIBYKA-IBGZPJMESA-N 1 0 341.455 3.083 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)C[C@H](C)Cc2ccccc2OC)CC1 ZINC000161004068 206322022 /nfs/dbraw/zinc/32/20/22/206322022.db2.gz AAEYWWGLVZMLEM-MRXNPFEDSA-N 1 0 332.488 3.112 20 70 EGIDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)CC1 ZINC000161199171 206333914 /nfs/dbraw/zinc/33/39/14/206333914.db2.gz MUYSNDXTCKMFAW-LSDHHAIUSA-N 1 0 336.426 3.447 20 70 EGIDRO Cc1nc2c(s1)[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000161207553 206334938 /nfs/dbraw/zinc/33/49/38/206334938.db2.gz IHUYNBLUSUTUTE-SWLSCSKDSA-N 1 0 329.469 3.123 20 70 EGIDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc(OC)c(OC)c1 ZINC000161318751 206340027 /nfs/dbraw/zinc/34/00/27/206340027.db2.gz TUMQEHDZPZSHEP-QZTJIDSGSA-N 1 0 345.439 3.487 20 70 EGIDRO COCCC1(C(=O)NCc2cccc(C[NH+]3CCC(C)CC3)c2)CC1 ZINC000161363744 206342907 /nfs/dbraw/zinc/34/29/07/206342907.db2.gz GEIWJIQOJGOXMU-UHFFFAOYSA-N 1 0 344.499 3.351 20 70 EGIDRO CO[C@@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)c1cccc(Cl)c1 ZINC000161409685 206346385 /nfs/dbraw/zinc/34/63/85/206346385.db2.gz LPBRSOGGPFAHPJ-DOPJRALCSA-N 1 0 346.858 3.480 20 70 EGIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161453607 206350368 /nfs/dbraw/zinc/35/03/68/206350368.db2.gz OISOVVIZPMWNGT-MLGOLLRUSA-N 1 0 328.378 3.142 20 70 EGIDRO COc1ccc(C(=O)N2CCC([NH2+]CC3CC3)CC2)c2ccccc12 ZINC000159797186 140946893 /nfs/dbraw/zinc/94/68/93/140946893.db2.gz NPXUYGTZAYVKJO-UHFFFAOYSA-N 1 0 338.451 3.453 20 70 EGIDRO O=C(N[C@@H](COCc1ccccc1)c1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000161305728 140971237 /nfs/dbraw/zinc/97/12/37/140971237.db2.gz FIENZKYEYVDMOU-UXHICEINSA-N 1 0 338.451 3.060 20 70 EGIDRO Cc1ccc(C(=O)NCCC2CC[NH+](C)CC2)c(Br)c1 ZINC000159930841 225305070 /nfs/dbraw/zinc/30/50/70/225305070.db2.gz DWTGCRNWDTZPOI-UHFFFAOYSA-N 1 0 339.277 3.219 20 70 EGIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000160142761 225346209 /nfs/dbraw/zinc/34/62/09/225346209.db2.gz BSYOCZVQCHDTOW-KRWDZBQOSA-N 1 0 344.842 3.482 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc(OCC(C)C)cc2)CC1 ZINC000159830869 264865762 /nfs/dbraw/zinc/86/57/62/264865762.db2.gz NSGHJOJVYOSJIJ-UHFFFAOYSA-N 1 0 347.503 3.001 20 70 EGIDRO CC(C)c1ccc(-c2nc(C(=O)N3CCC[C@@H]3C[NH3+])cs2)cc1 ZINC000160373638 275731543 /nfs/dbraw/zinc/73/15/43/275731543.db2.gz ZTBUXTIMXRNOEP-OAHLLOKOSA-N 1 0 329.469 3.497 20 70 EGIDRO CCN1CCCC[C@H]1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000161205584 276161048 /nfs/dbraw/zinc/16/10/48/276161048.db2.gz BYVJNQCYYUGEDH-BATSVXPKSA-N 1 0 341.499 3.283 20 70 EGIDRO CC(=O)NC1CCC([NH2+]C[C@@H]2CCCO[C@@H]2c2ccccc2)CC1 ZINC000161354624 278088469 /nfs/dbraw/zinc/08/84/69/278088469.db2.gz YSAJXVOUUATLRN-DCCYDQLOSA-N 1 0 330.472 3.191 20 70 EGIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCC(C)(C)C2)CC1 ZINC000161258574 290274365 /nfs/dbraw/zinc/27/43/65/290274365.db2.gz DWWIXDQLGMDJGU-OAHLLOKOSA-N 1 0 330.476 3.049 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3c(Cl)cccc31)CC2 ZINC000160364965 302682043 /nfs/dbraw/zinc/68/20/43/302682043.db2.gz NHAPKEAKAHEFMR-WFASDCNBSA-N 1 0 332.835 3.058 20 70 EGIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)Cc1ccc(F)cc1Cl ZINC000160112609 307884988 /nfs/dbraw/zinc/88/49/88/307884988.db2.gz NHZYLSUVGPKVHG-UHFFFAOYSA-N 1 0 349.837 3.007 20 70 EGIDRO C[C@H](Cn1cc(Br)cn1)[NH2+]CCSc1ccccc1 ZINC000160518385 307891152 /nfs/dbraw/zinc/89/11/52/307891152.db2.gz PTHQTVXRYQLUPQ-GFCCVEGCSA-N 1 0 340.290 3.416 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(C)cc2OCC2CC2)CC1 ZINC000159963749 455419484 /nfs/dbraw/zinc/41/94/84/455419484.db2.gz IJABSYJYGBYPHP-UHFFFAOYSA-N 1 0 345.487 3.021 20 70 EGIDRO CC[N@H+](Cc1ccc(C(=O)N(C)Cc2cc(C)on2)cc1)C(C)C ZINC000159975658 455419542 /nfs/dbraw/zinc/41/95/42/455419542.db2.gz HPODBFBCETWBBR-UHFFFAOYSA-N 1 0 329.444 3.486 20 70 EGIDRO COc1ccccc1[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000160375873 455452490 /nfs/dbraw/zinc/45/24/90/455452490.db2.gz FMHQNQVZONDEMF-IEBWSBKVSA-N 1 0 338.451 3.491 20 70 EGIDRO CCc1ccc([C@@H](CNC(=O)C2(CCOC)CCC2)[NH+](C)C)cc1 ZINC000159652746 455392133 /nfs/dbraw/zinc/39/21/33/455392133.db2.gz MAWIVYYONSAVRZ-GOSISDBHSA-N 1 0 332.488 3.175 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCCc2ccc3ccccc3c2)CC1 ZINC000159683576 455395498 /nfs/dbraw/zinc/39/54/98/455395498.db2.gz BJGKTCLAEFGRKW-UHFFFAOYSA-N 1 0 325.456 3.120 20 70 EGIDRO COc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2cccc(N(C)C)c2)cc1 ZINC000159863024 455409865 /nfs/dbraw/zinc/40/98/65/455409865.db2.gz OYYNQUAVNCHHAP-OAHLLOKOSA-N 1 0 341.455 3.220 20 70 EGIDRO CC[C@H](C(=O)N1CCC([NH2+]Cc2cccnc2)CC1)c1ccccc1 ZINC000159912731 455414668 /nfs/dbraw/zinc/41/46/68/455414668.db2.gz LMQAODUXGWBACQ-FQEVSTJZSA-N 1 0 337.467 3.356 20 70 EGIDRO CC[C@@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cnn(C)c1 ZINC000159959905 455418329 /nfs/dbraw/zinc/41/83/29/455418329.db2.gz IIICTZDJZTZKEM-OAHLLOKOSA-N 1 0 332.414 3.125 20 70 EGIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1C(F)(F)F ZINC000160576630 455476494 /nfs/dbraw/zinc/47/64/94/455476494.db2.gz ULKYCNNNJQUXMG-MRVPVSSYSA-N 1 0 328.256 3.035 20 70 EGIDRO C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1)N(C)Cc1ccccc1 ZINC000160892842 455509061 /nfs/dbraw/zinc/50/90/61/455509061.db2.gz HVQOBIGNIUEZGY-MSOLQXFVSA-N 1 0 349.482 3.438 20 70 EGIDRO CC(C)S(=O)(=O)CCC[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000160890855 455509178 /nfs/dbraw/zinc/50/91/78/455509178.db2.gz PPCINBLMXVIWCK-UHFFFAOYSA-N 1 0 341.492 3.294 20 70 EGIDRO COc1ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c(OC2CCCC2)c1 ZINC000160900476 455510764 /nfs/dbraw/zinc/51/07/64/455510764.db2.gz LAXHUPJQEYXEAK-QGZVFWFLSA-N 1 0 334.460 3.006 20 70 EGIDRO C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1c(F)cccc1F ZINC000160927061 455514142 /nfs/dbraw/zinc/51/41/42/455514142.db2.gz QULJURFGWVXNKN-SUMWQHHRSA-N 1 0 332.394 3.487 20 70 EGIDRO [NH3+]CCOc1ccc(NC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1 ZINC000160966601 455519656 /nfs/dbraw/zinc/51/96/56/455519656.db2.gz XIRNAOUPHAQNAR-RYUDHWBXSA-N 1 0 330.350 3.331 20 70 EGIDRO Cc1nc2ccccn2c1C[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000160984818 455520404 /nfs/dbraw/zinc/52/04/04/455520404.db2.gz LOESUEAEACOEIP-GOSISDBHSA-N 1 0 343.471 3.193 20 70 EGIDRO Cc1noc(Cl)c1CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000161000802 455522118 /nfs/dbraw/zinc/52/21/18/455522118.db2.gz WZCYQBHZODUSIJ-UHFFFAOYSA-N 1 0 347.846 3.456 20 70 EGIDRO O=C(Nc1cccc(CSC2CCOCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000161000059 455522164 /nfs/dbraw/zinc/52/21/64/455522164.db2.gz HDHNZNGZOICANU-OAHLLOKOSA-N 1 0 334.485 3.037 20 70 EGIDRO CC[C@@H](NC(=O)[C@H]1Cc2ccccc2C[NH2+]1)c1ccc(F)cc1F ZINC000161208970 455548446 /nfs/dbraw/zinc/54/84/46/455548446.db2.gz RUASNNDHOLVGJO-QZTJIDSGSA-N 1 0 330.378 3.247 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N[C@@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000161234264 455551256 /nfs/dbraw/zinc/55/12/56/455551256.db2.gz ROBUDZMFIAULAE-WFASDCNBSA-N 1 0 326.868 3.297 20 70 EGIDRO COc1cc(-c2ccccc2)sc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161287684 455555438 /nfs/dbraw/zinc/55/54/38/455555438.db2.gz POUKGTASKCYQNN-KBPBESRZSA-N 1 0 330.453 3.423 20 70 EGIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161464379 455573035 /nfs/dbraw/zinc/57/30/35/455573035.db2.gz JDHIBTGINQLRRM-BYCMXARLSA-N 1 0 328.378 3.270 20 70 EGIDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc3cc(Br)ccc3c2)C1 ZINC000159644933 536411301 /nfs/dbraw/zinc/41/13/01/536411301.db2.gz MLGWVXUVRMIMMX-INIZCTEOSA-N 1 0 347.256 3.426 20 70 EGIDRO C[C@@H]([NH2+]CCOc1cccc(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000160249995 546945793 /nfs/dbraw/zinc/94/57/93/546945793.db2.gz GJJCRZCPOLDWSL-CYBMUJFWSA-N 1 0 343.818 3.045 20 70 EGIDRO C[C@@H](CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1)c1ccncc1 ZINC000160624301 546948893 /nfs/dbraw/zinc/94/88/93/546948893.db2.gz ZTBMKOLJSZDSNV-HFCFLWKCSA-N 1 0 329.488 3.298 20 70 EGIDRO Cc1cc(C)cc(OCC[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)c1 ZINC000161238766 546953002 /nfs/dbraw/zinc/95/30/02/546953002.db2.gz HHNBKVVDTCIAED-INIZCTEOSA-N 1 0 337.427 3.009 20 70 EGIDRO Fc1cc2ncc(N3CCC[C@@H]3C[NH+]3CCCCC3)nc2cc1F ZINC000160429252 282967449 /nfs/dbraw/zinc/96/74/49/282967449.db2.gz KFSCSYIXSODRSO-CYBMUJFWSA-N 1 0 332.398 3.363 20 70 EGIDRO Cc1ccc(C(=O)NC2CC[NH+](C3CC3)CC2)c(Br)c1 ZINC000161116985 205243749 /nfs/dbraw/zinc/24/37/49/205243749.db2.gz NCZBFNHJVHJWQP-UHFFFAOYSA-N 1 0 337.261 3.114 20 70 EGIDRO O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000159455465 206246815 /nfs/dbraw/zinc/24/68/15/206246815.db2.gz LAAVQFJZRZRRAG-MOPGFXCFSA-N 1 0 342.483 3.259 20 70 EGIDRO COc1ccc([C@H](C)[NH2+][C@H]2CCCSC2)cc1Cn1cccn1 ZINC000159624814 206255990 /nfs/dbraw/zinc/25/59/90/206255990.db2.gz RJLYXHWFPRGZOU-YOEHRIQHSA-N 1 0 331.485 3.486 20 70 EGIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(NC(=O)C2CC2)cc1 ZINC000159713329 206258605 /nfs/dbraw/zinc/25/86/05/206258605.db2.gz BPHDLXZIZBNJAB-UHFFFAOYSA-N 1 0 343.471 3.077 20 70 EGIDRO C[N@H+](CC1CCN(C(=O)C(C)(C)C)CC1)[C@@H](CCO)c1ccccc1 ZINC000159835251 206265235 /nfs/dbraw/zinc/26/52/35/206265235.db2.gz MGJNAEOGUNDGDP-IBGZPJMESA-N 1 0 346.515 3.327 20 70 EGIDRO O=C([C@H]1C[C@H]1c1ccc(F)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159840049 206266911 /nfs/dbraw/zinc/26/69/11/206266911.db2.gz LYXDTBPSACYRQO-HOTGVXAUSA-N 1 0 334.410 3.059 20 70 EGIDRO CC[C@@H](CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000160141660 206282458 /nfs/dbraw/zinc/28/24/58/206282458.db2.gz AAAVVGVZVPVZNA-CVEARBPZSA-N 1 0 330.472 3.179 20 70 EGIDRO CSCCCNC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160375144 206292330 /nfs/dbraw/zinc/29/23/30/206292330.db2.gz FFHWFTZLJFIYLH-AEFFLSMTSA-N 1 0 349.544 3.434 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1cc(C)ccc1OC(F)F)CC2 ZINC000160377385 206294071 /nfs/dbraw/zinc/29/40/71/206294071.db2.gz CCLKQBNQOPTHQL-YPMHNXCESA-N 1 0 336.386 3.162 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)N[C@H]2CCCc3occc32)CC1 ZINC000160432795 206297092 /nfs/dbraw/zinc/29/70/92/206297092.db2.gz NSRYDNGGZDJDRI-KRWDZBQOSA-N 1 0 333.476 3.420 20 70 EGIDRO CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1OC(F)F ZINC000160595039 206304306 /nfs/dbraw/zinc/30/43/06/206304306.db2.gz YZXRVEMKQWWWIF-SNVBAGLBSA-N 1 0 340.292 3.007 20 70 EGIDRO Cc1c(CSC(C)C)cccc1NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000160782791 206312651 /nfs/dbraw/zinc/31/26/51/206312651.db2.gz XMXZSYRMTONEJL-MRXNPFEDSA-N 1 0 336.501 3.344 20 70 EGIDRO CCc1ccc([C@@H](C)[NH2+]CC(=O)NCc2ccc(OC)cc2)s1 ZINC000161014539 206323352 /nfs/dbraw/zinc/32/33/52/206323352.db2.gz XDLBDDIQBFUOQB-CYBMUJFWSA-N 1 0 332.469 3.286 20 70 EGIDRO COc1cccc([C@H](O)C[NH2+][C@@H]2CSCCc3ccccc32)c1 ZINC000161353672 206342679 /nfs/dbraw/zinc/34/26/79/206342679.db2.gz TYWYIPBCXLVDOU-RTBURBONSA-N 1 0 329.465 3.349 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000161359627 206342701 /nfs/dbraw/zinc/34/27/01/206342701.db2.gz ZDDQFDJQWIDOQC-RISCZKNCSA-N 1 0 329.271 3.382 20 70 EGIDRO O=C1[C@H](N2CC[C@H]([NH+]3CCCC3)C2)CCCN1c1ccccc1Cl ZINC000160337970 296431622 /nfs/dbraw/zinc/43/16/22/296431622.db2.gz NRPUPMPTRJFIHY-MAUKXSAKSA-N 1 0 347.890 3.006 20 70 EGIDRO COCCC1(C(=O)NC[C@@H](c2ccc(C)cc2)[NH+]2CCCC2)CC1 ZINC000161104202 292295972 /nfs/dbraw/zinc/29/59/72/292295972.db2.gz GKFZFZZMJUKWFZ-SFHVURJKSA-N 1 0 330.472 3.065 20 70 EGIDRO [NH3+][C@@H]1CCN(C(=O)[C@H](Sc2ccc(F)cc2)c2ccccc2)C1 ZINC000160234148 225367483 /nfs/dbraw/zinc/36/74/83/225367483.db2.gz VCILPCCOUFGXPN-NVXWUHKLSA-N 1 0 330.428 3.219 20 70 EGIDRO CC(=O)NC1CCC([NH2+]C[C@H]2CCCO[C@H]2c2ccccc2)CC1 ZINC000161354967 277024681 /nfs/dbraw/zinc/02/46/81/277024681.db2.gz YSAJXVOUUATLRN-OAHAVBBTSA-N 1 0 330.472 3.191 20 70 EGIDRO COc1ccc(CCC(=O)NCC[NH2+]C2CCCCCC2)cc1OC ZINC000159714314 295117754 /nfs/dbraw/zinc/11/77/54/295117754.db2.gz WPSKFGVWSHNAGX-UHFFFAOYSA-N 1 0 348.487 3.065 20 70 EGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000159379079 307872696 /nfs/dbraw/zinc/87/26/96/307872696.db2.gz LQZCMQACCHPDCD-HNAYVOBHSA-N 1 0 334.460 3.481 20 70 EGIDRO COc1cc(F)ccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000159540524 307875552 /nfs/dbraw/zinc/87/55/52/307875552.db2.gz CVCAJHNWMWXRNP-UHFFFAOYSA-N 1 0 335.423 3.317 20 70 EGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160625117 307892675 /nfs/dbraw/zinc/89/26/75/307892675.db2.gz XABHDTYCGMMXTJ-CQSZACIVSA-N 1 0 337.533 3.191 20 70 EGIDRO CC(C)[NH2+]CCC(=O)N1CCSC[C@H]1c1ccc(Cl)cc1 ZINC000161010363 307897301 /nfs/dbraw/zinc/89/73/01/307897301.db2.gz YRQFBLNNTCCRLG-HNNXBMFYSA-N 1 0 326.893 3.345 20 70 EGIDRO Cc1cc(CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1Br ZINC000161003507 455523003 /nfs/dbraw/zinc/52/30/03/455523003.db2.gz DVHIDSYKHMCLHE-KGLIPLIRSA-N 1 0 339.277 3.076 20 70 EGIDRO CC[C@@H](CC(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000159378305 455373445 /nfs/dbraw/zinc/37/34/45/455373445.db2.gz BEYKRISEBOPBRE-IRXDYDNUSA-N 1 0 332.488 3.427 20 70 EGIDRO C[C@@H](NC(=O)C1([NH3+])CCCCC1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000159617109 455389581 /nfs/dbraw/zinc/38/95/81/455389581.db2.gz GDYQXIBYXWYWMT-LLVKDONJSA-N 1 0 348.834 3.229 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2nc(C(C)(C)C)cs2)CC1 ZINC000159829888 455407754 /nfs/dbraw/zinc/40/77/54/455407754.db2.gz UONJSYBLLJCUEN-ZDUSSCGKSA-N 1 0 338.521 3.239 20 70 EGIDRO CCc1c(C(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cnn1CC(C)C ZINC000159711924 455397706 /nfs/dbraw/zinc/39/77/06/455397706.db2.gz HXWVMUWNMZZHPZ-INIZCTEOSA-N 1 0 334.508 3.096 20 70 EGIDRO Cc1noc(C)c1[C@H](C)CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000159944728 455417562 /nfs/dbraw/zinc/41/75/62/455417562.db2.gz IPKVXWNBGMKTHS-CQSZACIVSA-N 1 0 338.496 3.203 20 70 EGIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)NC[C@]1(C)CCCS1 ZINC000160395130 455454375 /nfs/dbraw/zinc/45/43/75/455454375.db2.gz SYZKPVVKSWOYDL-WBVHZDCISA-N 1 0 327.538 3.226 20 70 EGIDRO CCCCCc1ccc(C(=O)CCC(=O)N2CC[C@@H]([NH2+]C)C2)cc1 ZINC000160708334 455490032 /nfs/dbraw/zinc/49/00/32/455490032.db2.gz DNFCKPCRTLKPIG-GOSISDBHSA-N 1 0 330.472 3.203 20 70 EGIDRO O=C(N[C@@H]1CC[N@@H+](C2CCCC2)C1)NC1(c2ccccc2F)CC1 ZINC000160794001 455498981 /nfs/dbraw/zinc/49/89/81/455498981.db2.gz XVVJUUJHPSIZIU-CQSZACIVSA-N 1 0 331.435 3.131 20 70 EGIDRO C[C@H](CCn1cccn1)[NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000159493958 455380659 /nfs/dbraw/zinc/38/06/59/455380659.db2.gz JEOUJAHLOZKWHK-KGLIPLIRSA-N 1 0 336.842 3.323 20 70 EGIDRO COc1cc2c(cc1C[NH2+][C@H]1[C@@H]3CCO[C@@H]3C13CCC3)O[C@H](C)C2 ZINC000159537653 455382951 /nfs/dbraw/zinc/38/29/51/455382951.db2.gz HPANASUEORSUKR-CPIREHHASA-N 1 0 329.440 3.066 20 70 EGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1ccc2c(c1)OCCCO2 ZINC000159638496 455391338 /nfs/dbraw/zinc/39/13/38/455391338.db2.gz BKMSFYBRZWCAKB-HOCLYGCPSA-N 1 0 330.428 3.051 20 70 EGIDRO CN(C(=O)c1ccc2cc(Br)ccc2c1)[C@H](C[NH3+])C1CC1 ZINC000159808961 455405970 /nfs/dbraw/zinc/40/59/70/455405970.db2.gz QMFGNQJGNUNKBC-MRXNPFEDSA-N 1 0 347.256 3.412 20 70 EGIDRO O=C(CCc1cccc(OC2CCCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159958670 455418156 /nfs/dbraw/zinc/41/81/56/455418156.db2.gz BDGJSTKZCSLFFL-HDICACEKSA-N 1 0 342.483 3.294 20 70 EGIDRO Cc1cc(C)n(-c2ccc(NC(=O)c3ccc(C[NH+](C)C)cc3)cn2)n1 ZINC000160032952 455422802 /nfs/dbraw/zinc/42/28/02/455422802.db2.gz QRSVWJOUISIJEZ-UHFFFAOYSA-N 1 0 349.438 3.198 20 70 EGIDRO C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1Nc1ccc(C(F)(F)F)nn1 ZINC000160226692 455439736 /nfs/dbraw/zinc/43/97/36/455439736.db2.gz AAPFWDQYFRVYEP-OCCSQVGLSA-N 1 0 336.361 3.428 20 70 EGIDRO C[C@@H](O)C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000160222746 455439999 /nfs/dbraw/zinc/43/99/99/455439999.db2.gz OUUSFEMBBJKLJA-UZLBHIALSA-N 1 0 340.467 3.033 20 70 EGIDRO CSC[C@H](CCO)[NH2+][C@H](C)c1sc(-c2cccnc2)nc1C ZINC000160295778 455446676 /nfs/dbraw/zinc/44/66/76/455446676.db2.gz GEPCDUVNKDFXGK-RISCZKNCSA-N 1 0 337.514 3.278 20 70 EGIDRO COCC[N@H+](CCOc1ccc(F)cc1)Cc1cnc2ccccn12 ZINC000160303056 455446749 /nfs/dbraw/zinc/44/67/49/455446749.db2.gz BAQZJVWZUGADMH-UHFFFAOYSA-N 1 0 343.402 3.001 20 70 EGIDRO O=C(CC[NH+]1CCN(c2cccs2)CC1)Nc1ccc(F)cc1 ZINC000160310088 455447210 /nfs/dbraw/zinc/44/72/10/455447210.db2.gz FFULKWRTFMAOCL-UHFFFAOYSA-N 1 0 333.432 3.038 20 70 EGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000160534439 455471035 /nfs/dbraw/zinc/47/10/35/455471035.db2.gz IJGCRQXWAUXDEW-PBHICJAKSA-N 1 0 347.503 3.115 20 70 EGIDRO O=S(=O)(CC[NH2+][C@H]1CCc2ccc(F)cc21)c1ccc(F)cc1 ZINC000160551806 455472941 /nfs/dbraw/zinc/47/29/41/455472941.db2.gz XAFJPTPVPVAPFZ-KRWDZBQOSA-N 1 0 337.391 3.016 20 70 EGIDRO COc1ccc([C@H](C)CCNC(=O)[C@@H]2[NH2+]CCc3ccccc32)cc1 ZINC000160557010 455473920 /nfs/dbraw/zinc/47/39/20/455473920.db2.gz DYTWECWNDVPFGL-FOIQADDNSA-N 1 0 338.451 3.192 20 70 EGIDRO CC[N@H+](C)[C@@H](C(=O)N(C)c1ccc2c(c1)OCO2)c1ccccc1 ZINC000160628291 455482226 /nfs/dbraw/zinc/48/22/26/455482226.db2.gz JMGQQAGPOCKIND-GOSISDBHSA-N 1 0 326.396 3.071 20 70 EGIDRO C[C@@H](C(=O)NCCc1csc(C(C)(C)C)n1)[NH+]1CCCCCC1 ZINC000160639090 455482918 /nfs/dbraw/zinc/48/29/18/455482918.db2.gz NGLGOVFOMLYBHU-AWEZNQCLSA-N 1 0 337.533 3.364 20 70 EGIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000160726356 455492247 /nfs/dbraw/zinc/49/22/47/455492247.db2.gz SVISXFGBVNKZCL-VQIMIIECSA-N 1 0 326.415 3.368 20 70 EGIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCC[C@@H]1c1ccncc1 ZINC000160759547 455495812 /nfs/dbraw/zinc/49/58/12/455495812.db2.gz FQRKURFEWCKJDY-RTBURBONSA-N 1 0 342.487 3.193 20 70 EGIDRO Cc1c(NC(=O)NCC[N@@H+](C)C(C)C)cnn1-c1cc(C)ccc1C ZINC000160876711 455507502 /nfs/dbraw/zinc/50/75/02/455507502.db2.gz ZKXAZSWLTHAXQM-UHFFFAOYSA-N 1 0 343.475 3.259 20 70 EGIDRO CC(C)N(Cc1cccnc1)C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160894742 455510994 /nfs/dbraw/zinc/51/09/94/455510994.db2.gz PMHZTUPYWBQWBW-KRWDZBQOSA-N 1 0 330.476 3.019 20 70 EGIDRO [NH3+]CC(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)(F)F ZINC000161006308 455523489 /nfs/dbraw/zinc/52/34/89/455523489.db2.gz GAIKXMCHMTXQKU-UHFFFAOYSA-N 1 0 332.269 3.257 20 70 EGIDRO C[C@@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000161004130 455523398 /nfs/dbraw/zinc/52/33/98/455523398.db2.gz MFJPDWWRXDFFQX-RHSMWYFYSA-N 1 0 329.465 3.471 20 70 EGIDRO C[C@@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)[C@@H](c2ccccc2)CO1 ZINC000161086471 455531993 /nfs/dbraw/zinc/53/19/93/455531993.db2.gz MWCOMWRWYMCRPT-LSTHTHJFSA-N 1 0 338.451 3.455 20 70 EGIDRO COCc1c(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)sc2cccc(F)c21 ZINC000161116961 455535759 /nfs/dbraw/zinc/53/57/59/455535759.db2.gz HYCJVEHHHIMNER-WDEREUQCSA-N 1 0 336.432 3.187 20 70 EGIDRO CCc1ccc(-c2nc(CC(=O)N3CCC[C@H]3C[NH2+]C)cs2)cc1 ZINC000161156403 455541275 /nfs/dbraw/zinc/54/12/75/455541275.db2.gz ADDBOIRHLWMNIO-KRWDZBQOSA-N 1 0 343.496 3.125 20 70 EGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000161170111 455543085 /nfs/dbraw/zinc/54/30/85/455543085.db2.gz JOBAMTDFEQUHGC-HOCLYGCPSA-N 1 0 329.488 3.441 20 70 EGIDRO [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000161204176 455547598 /nfs/dbraw/zinc/54/75/98/455547598.db2.gz IOGBGXCDXPLGJK-WDEREUQCSA-N 1 0 349.422 3.118 20 70 EGIDRO CCCN(CCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1OC ZINC000161220758 455549766 /nfs/dbraw/zinc/54/97/66/455549766.db2.gz JPCJDCPAKSEKOV-UHFFFAOYSA-N 1 0 347.503 3.222 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(CN(C(C)=O)C(C)C)cc1 ZINC000161232890 455550462 /nfs/dbraw/zinc/55/04/62/455550462.db2.gz QAVGGSOLPNDBPQ-UHFFFAOYSA-N 1 0 333.476 3.147 20 70 EGIDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1OC1CCCC1 ZINC000161303960 455557290 /nfs/dbraw/zinc/55/72/90/455557290.db2.gz FYFAHCVWUIVAMF-CABCVRRESA-N 1 0 332.444 3.016 20 70 EGIDRO c1ccc([C@@H]2OCCC[C@H]2C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161355221 455562344 /nfs/dbraw/zinc/56/23/44/455562344.db2.gz YQXBUWKGWVWXSW-HKUYNNGSSA-N 1 0 331.456 3.430 20 70 EGIDRO O=C(NC[C@@H]1CCCCN1CCC[NH+]1CCCCC1)c1ccccc1 ZINC000161368382 455563759 /nfs/dbraw/zinc/56/37/59/455563759.db2.gz QOPCVMAIDZVXJL-FQEVSTJZSA-N 1 0 343.515 3.147 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000161423988 455569830 /nfs/dbraw/zinc/56/98/30/455569830.db2.gz IDCPTDOBAUPIGY-CVEARBPZSA-N 1 0 327.428 3.050 20 70 EGIDRO C[C@@H](CC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1)c1ccncc1 ZINC000160608494 546949096 /nfs/dbraw/zinc/94/90/96/546949096.db2.gz GCPRNWJOBUBULT-FXAWDEMLSA-N 1 0 337.467 3.356 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000160990811 546952395 /nfs/dbraw/zinc/95/23/95/546952395.db2.gz ZWCQNTPTRHZZDV-AWEZNQCLSA-N 1 0 347.459 3.441 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1ccccc1OC(F)(F)F)CC2 ZINC000160339131 282127413 /nfs/dbraw/zinc/12/74/13/282127413.db2.gz YYMHMXKGGHPHPG-ZYHUDNBSSA-N 1 0 340.349 3.151 20 70 EGIDRO CNC(=O)c1ccc(C[NH2+]C(C)(C)CN(C)Cc2ccccc2)cc1 ZINC000159404087 529938699 /nfs/dbraw/zinc/93/86/99/529938699.db2.gz MSPAONTZVPJZLI-UHFFFAOYSA-N 1 0 339.483 3.046 20 70 EGIDRO COCCC1(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CCC1 ZINC000159736440 533183874 /nfs/dbraw/zinc/18/38/74/533183874.db2.gz RDHMXJGGTKDTBF-UHFFFAOYSA-N 1 0 344.499 3.496 20 70 EGIDRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)[C@@H]([NH3+])C(C)C)s2)cc1 ZINC000160130812 533191843 /nfs/dbraw/zinc/19/18/43/533191843.db2.gz AZGYBRZHOZXERE-ABAIWWIYSA-N 1 0 347.484 3.288 20 70 EGIDRO COc1ccc2c(c1)[C@@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000161147149 533289036 /nfs/dbraw/zinc/28/90/36/533289036.db2.gz ZNLWTMJWWDUHQK-SFHVURJKSA-N 1 0 340.471 3.223 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC2CC[NH+](CC(C)C)CC2)n1 ZINC000161028951 140966986 /nfs/dbraw/zinc/96/69/86/140966986.db2.gz PIRGFJHBILTPQI-UHFFFAOYSA-N 1 0 335.496 3.171 20 70 EGIDRO O=C(NCCCn1ccc2ccccc21)NCCC[NH+]1CCCCC1 ZINC000217445356 153421902 /nfs/dbraw/zinc/42/19/02/153421902.db2.gz UGVQGYFTUUTBDB-UHFFFAOYSA-N 1 0 342.487 3.207 20 70 EGIDRO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1cccs1 ZINC000159841470 225287979 /nfs/dbraw/zinc/28/79/79/225287979.db2.gz FRKCFMRGTJCUCE-HNNXBMFYSA-N 1 0 336.501 3.003 20 70 EGIDRO c1sc(-c2ccccn2)nc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159642523 225253224 /nfs/dbraw/zinc/25/32/24/225253224.db2.gz IHXGRSCMPYZQRV-BPUTZDHNSA-N 1 0 327.453 3.252 20 70 EGIDRO C[C@H](CC(=O)Nc1ccc(F)cc1OC(F)F)C1CC[NH2+]CC1 ZINC000161084985 533683378 /nfs/dbraw/zinc/68/33/78/533683378.db2.gz MVLVAZUNCSFWPK-SNVBAGLBSA-N 1 0 330.350 3.391 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000161295283 274279184 /nfs/dbraw/zinc/27/91/84/274279184.db2.gz HPNNFJVOOQQYIQ-ULQDDVLXSA-N 1 0 344.503 3.295 20 70 EGIDRO Cc1cccc(OC[C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160916435 307895817 /nfs/dbraw/zinc/89/58/17/307895817.db2.gz ZKCHKBMKECYPGS-INIZCTEOSA-N 1 0 326.440 3.254 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc3c(c2)CCC3)cc1 ZINC000160967268 307896623 /nfs/dbraw/zinc/89/66/23/307896623.db2.gz RUAXHRNJGDPQLD-HNNXBMFYSA-N 1 0 338.451 3.151 20 70 EGIDRO COc1ccccc1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000161485737 307903243 /nfs/dbraw/zinc/90/32/43/307903243.db2.gz GZZADZXVECANNO-UHFFFAOYSA-N 1 0 330.472 3.468 20 70 EGIDRO COc1cccc([C@@H](CNC(=O)c2cccc(C)c2F)[NH+](C)C)c1 ZINC000159647196 533718674 /nfs/dbraw/zinc/71/86/74/533718674.db2.gz KXIGEIVJGJWBBL-QGZVFWFLSA-N 1 0 330.403 3.175 20 70 EGIDRO CCOc1c(OC)cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC ZINC000159503316 455381098 /nfs/dbraw/zinc/38/10/98/455381098.db2.gz PCZQEXMYTNAKPC-JVPBZIDWSA-N 1 0 347.455 3.150 20 70 EGIDRO Cc1cccc([C@H]2CCCN2CC(=O)N(C)Cc2ccc(F)cc2)n1 ZINC000159873674 455411127 /nfs/dbraw/zinc/41/11/27/455411127.db2.gz MPLRUYXURPDRLL-LJQANCHMSA-N 1 0 341.430 3.325 20 70 EGIDRO COc1cccc(NC(=O)CN2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000159953608 455418751 /nfs/dbraw/zinc/41/87/51/455418751.db2.gz RXKUSDHSCAMHBD-GOSISDBHSA-N 1 0 325.412 3.174 20 70 EGIDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccncc2)CC1)[C@@H](C)c1ccccc1 ZINC000160213586 455438699 /nfs/dbraw/zinc/43/86/99/455438699.db2.gz RNHQOCTULVQPLI-IAGOWNOFSA-N 1 0 337.467 3.468 20 70 EGIDRO COCC[N@H+](Cc1ccccc1)Cc1ccc(N2CCCC2)nc1 ZINC000160444412 455459042 /nfs/dbraw/zinc/45/90/42/455459042.db2.gz GQCUBNKQRFCEIA-UHFFFAOYSA-N 1 0 325.456 3.330 20 70 EGIDRO C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160573290 455475969 /nfs/dbraw/zinc/47/59/69/455475969.db2.gz NKHBHSJBUHAAOZ-ZJUUUORDSA-N 1 0 345.390 3.056 20 70 EGIDRO CCOC(=O)c1oc2ccccc2c1C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000159472479 455379738 /nfs/dbraw/zinc/37/97/38/455379738.db2.gz MJYHMYWLPIQPQG-CJNGLKHVSA-N 1 0 331.412 3.202 20 70 EGIDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCSC2)cc1OC ZINC000159572126 455386416 /nfs/dbraw/zinc/38/64/16/455386416.db2.gz HLIFUIYRDXGULF-UKRRQHHQSA-N 1 0 325.474 3.267 20 70 EGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@H](C)c1cccc(N2CCCC2)c1 ZINC000159567032 455386437 /nfs/dbraw/zinc/38/64/37/455386437.db2.gz ZOWKHRBRKBLOGE-QGZVFWFLSA-N 1 0 346.519 3.329 20 70 EGIDRO CCCCn1ncc(NC(=O)N2CC[C@H](C[N@H+](C)CCC)C2)c1C ZINC000159662073 455393529 /nfs/dbraw/zinc/39/35/29/455393529.db2.gz DQOGFDJXUPWLJS-MRXNPFEDSA-N 1 0 335.496 3.187 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)CC(C)(C)c2ccccc2)CC1 ZINC000159772241 455402350 /nfs/dbraw/zinc/40/23/50/455402350.db2.gz ACQCCDQKRBRFMQ-QGZVFWFLSA-N 1 0 331.504 3.480 20 70 EGIDRO CCCN(CC(F)F)C(=O)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000159899293 455413363 /nfs/dbraw/zinc/41/33/63/455413363.db2.gz NADTZGLRUOKWHV-HOCLYGCPSA-N 1 0 339.430 3.336 20 70 EGIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COCc2ccccc2F)n1 ZINC000160110026 455429646 /nfs/dbraw/zinc/42/96/46/455429646.db2.gz PAARJUWIEIMGBO-FXAWDEMLSA-N 1 0 344.430 3.244 20 70 EGIDRO Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)COc2ccc(F)cc2)n1 ZINC000160333795 455448355 /nfs/dbraw/zinc/44/83/55/455448355.db2.gz BAAINOAOQZJWLO-LPHOPBHVSA-N 1 0 330.403 3.106 20 70 EGIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000160480244 455464623 /nfs/dbraw/zinc/46/46/23/455464623.db2.gz JIBZDMXKCIEXNQ-MOPGFXCFSA-N 1 0 329.488 3.135 20 70 EGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000160541266 455472053 /nfs/dbraw/zinc/47/20/53/455472053.db2.gz UXJPKCOOSLGGKJ-IRXDYDNUSA-N 1 0 347.503 3.218 20 70 EGIDRO [NH3+][C@@H](C(=O)NCC1(c2cccc(F)c2)CC1)c1cccc(Cl)c1 ZINC000160544797 455472698 /nfs/dbraw/zinc/47/26/98/455472698.db2.gz WJWFBVIWLXIWQK-MRXNPFEDSA-N 1 0 332.806 3.327 20 70 EGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000160554544 455474056 /nfs/dbraw/zinc/47/40/56/455474056.db2.gz UDCSJDLNORPHLO-KBPBESRZSA-N 1 0 349.475 3.349 20 70 EGIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)[C@H](C)c1nc2ccccc2s1 ZINC000160573158 455475384 /nfs/dbraw/zinc/47/53/84/455475384.db2.gz NKHBHSJBUHAAOZ-VHSXEESVSA-N 1 0 345.390 3.056 20 70 EGIDRO CC(C)CCOc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160617843 455481430 /nfs/dbraw/zinc/48/14/30/455481430.db2.gz FSUUGVWZUOKHMD-CYBMUJFWSA-N 1 0 346.393 3.441 20 70 EGIDRO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H](C)c1cccc(OC)c1 ZINC000160692357 455488613 /nfs/dbraw/zinc/48/86/13/455488613.db2.gz YIJNDTGTDRRIAI-YJBOKZPZSA-N 1 0 345.487 3.272 20 70 EGIDRO CCN(C(=O)NC[C@@H]1CCCS1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160691916 455489303 /nfs/dbraw/zinc/48/93/03/455489303.db2.gz IOQNISIFGKJSHC-MSOLQXFVSA-N 1 0 347.528 3.188 20 70 EGIDRO C[C@H](c1cccc(O)c1)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000160796703 455499627 /nfs/dbraw/zinc/49/96/27/455499627.db2.gz ZXIZNAKBRFUWEP-GDBMZVCRSA-N 1 0 331.460 3.112 20 70 EGIDRO CC[C@H]([NH2+]C[C@]1(N2CCOCC2)CCSC1)c1ccc(F)cc1 ZINC000160812398 455501193 /nfs/dbraw/zinc/50/11/93/455501193.db2.gz MTQFTULBIVCHMQ-ZWKOTPCHSA-N 1 0 338.492 3.074 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000160921102 455513801 /nfs/dbraw/zinc/51/38/01/455513801.db2.gz NQFXAKKWWLNAIV-AWEZNQCLSA-N 1 0 329.469 3.302 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H](C)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000160954343 455517706 /nfs/dbraw/zinc/51/77/06/455517706.db2.gz ZCJOXWFVTKDYTJ-WDEREUQCSA-N 1 0 333.259 3.263 20 70 EGIDRO C[C@H]([NH2+]C[C@H]1CCc2ccccc21)c1ccc(NS(C)(=O)=O)cc1 ZINC000160977018 455520626 /nfs/dbraw/zinc/52/06/26/455520626.db2.gz CQNVFCMCQIJPBU-WMLDXEAASA-N 1 0 344.480 3.439 20 70 EGIDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2nn(-c3ccccc3Cl)cc2C)C1 ZINC000160988485 455520907 /nfs/dbraw/zinc/52/09/07/455520907.db2.gz RUZBXJOVYGLFHH-CQSZACIVSA-N 1 0 346.862 3.048 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)COc2ccc3ccccc3c2)CC1 ZINC000160992489 455521169 /nfs/dbraw/zinc/52/11/69/455521169.db2.gz PRFDLDDUBGSWSP-UHFFFAOYSA-N 1 0 326.440 3.067 20 70 EGIDRO CCn1cc([C@H](C)[NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)cn1 ZINC000161004836 455523507 /nfs/dbraw/zinc/52/35/07/455523507.db2.gz YUZNQNWUGYUMJV-INIZCTEOSA-N 1 0 340.471 3.167 20 70 EGIDRO CC(C)C[N@@H+]1CCCC[C@@H]1CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000161020205 455524041 /nfs/dbraw/zinc/52/40/41/455524041.db2.gz VPHYKGWXLQUIPJ-IAGOWNOFSA-N 1 0 347.507 3.157 20 70 EGIDRO CC(C)CNC(=O)Nc1ccnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161035913 455526257 /nfs/dbraw/zinc/52/62/57/455526257.db2.gz QQDVWHREZXUDOU-KRWDZBQOSA-N 1 0 341.459 3.108 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2cnc(C(C)(C)C)s2)CC1 ZINC000161055016 455528205 /nfs/dbraw/zinc/52/82/05/455528205.db2.gz FCLRIBDBKOUVAK-VOTSOKGWSA-N 1 0 335.517 3.302 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCCOc2cccc3ccccc32)C1 ZINC000161097956 455532793 /nfs/dbraw/zinc/53/27/93/455532793.db2.gz UIRIFPJNKVDPSR-IAGOWNOFSA-N 1 0 326.440 3.385 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)CSc2ccc3c(c2)CCC3)CC1 ZINC000161131129 455537911 /nfs/dbraw/zinc/53/79/11/455537911.db2.gz TVNCTWVDBLDZDN-UHFFFAOYSA-N 1 0 332.513 3.116 20 70 EGIDRO CN(Cc1nc(-c2c(F)cccc2F)cs1)Cc1nccn1C ZINC000161156688 455541192 /nfs/dbraw/zinc/54/11/92/455541192.db2.gz VPTVAGDOTKRRGX-UHFFFAOYSA-N 1 0 334.395 3.454 20 70 EGIDRO C[C@@H]([NH2+][C@H](C)c1ccc(F)cc1N(C)C)C(=O)NCc1ccccc1 ZINC000161208969 455548239 /nfs/dbraw/zinc/54/82/39/455548239.db2.gz QBAOJEZXLQWABY-HUUCEWRRSA-N 1 0 343.446 3.247 20 70 EGIDRO C[C@H](C(=O)N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)s1 ZINC000161223858 455549147 /nfs/dbraw/zinc/54/91/47/455549147.db2.gz JKOBHZSDRYXUDB-GUBZILKMSA-N 1 0 331.279 3.000 20 70 EGIDRO Cc1ccc(C(=O)N[C@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000161222047 455549502 /nfs/dbraw/zinc/54/95/02/455549502.db2.gz VGTINOZSKYZAIW-LBPRGKRZSA-N 1 0 337.261 3.162 20 70 EGIDRO Cc1ccc(C[NH2+]C2CCN(C(=O)c3ccccc3Cl)CC2)cn1 ZINC000161258930 455552810 /nfs/dbraw/zinc/55/28/10/455552810.db2.gz GADJFFCNHAEQCZ-UHFFFAOYSA-N 1 0 343.858 3.438 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000161267333 455553939 /nfs/dbraw/zinc/55/39/39/455553939.db2.gz YDBFIURXQXFMLP-CQSZACIVSA-N 1 0 329.444 3.299 20 70 EGIDRO CCOC[C@@H](O)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000161306800 455557163 /nfs/dbraw/zinc/55/71/63/455557163.db2.gz OZZQUMZTSKGAAZ-AZUAARDMSA-N 1 0 347.430 3.105 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cc(-c3ccc(Cl)s3)on2)C1 ZINC000161311192 455558463 /nfs/dbraw/zinc/55/84/63/455558463.db2.gz YUEJQAMLZGXOLA-IUCAKERBSA-N 1 0 325.821 3.056 20 70 EGIDRO C[C@]1(C(=O)NCc2ccc(OCc3ccccc3)cc2)CCC[NH2+]C1 ZINC000161346666 455561101 /nfs/dbraw/zinc/56/11/01/455561101.db2.gz QJYWOAXUXBUSBU-NRFANRHFSA-N 1 0 338.451 3.272 20 70 EGIDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2ccc(OC)cc2OC)c1 ZINC000161354466 455561908 /nfs/dbraw/zinc/56/19/08/455561908.db2.gz NSLJEICZVJOQAE-SCLBCKFNSA-N 1 0 331.412 3.097 20 70 EGIDRO CC(=O)NC1CCC([NH2+][C@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 ZINC000161366901 455563297 /nfs/dbraw/zinc/56/32/97/455563297.db2.gz ZAQPSGPXPNEVIU-CSODTCANSA-N 1 0 334.435 3.083 20 70 EGIDRO CN(C(=O)/C=C/c1cccc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161372013 455563634 /nfs/dbraw/zinc/56/36/34/455563634.db2.gz KHOSVDXBKJHXJR-KXGSISTFSA-N 1 0 338.373 3.460 20 70 EGIDRO CC[C@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000161423228 455568528 /nfs/dbraw/zinc/56/85/28/455568528.db2.gz NNVZNRFJANDULN-YOEHRIQHSA-N 1 0 325.474 3.027 20 70 EGIDRO Cc1cc(C)n(-c2ccc(CN3CC[NH+](CC(C)C)CC3)cc2)n1 ZINC000216653914 456030538 /nfs/dbraw/zinc/03/05/38/456030538.db2.gz WDBBXUNTKHOVOW-UHFFFAOYSA-N 1 0 326.488 3.263 20 70 EGIDRO CS[C@H](C)CNC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000159498175 534056039 /nfs/dbraw/zinc/05/60/39/534056039.db2.gz LTMFHAVWGQZMLJ-ZMSDIMECSA-N 1 0 335.517 3.090 20 70 EGIDRO Cc1ccc(-c2noc(CCC[N@@H+](C)C[C@@H]3CCC[C@@H]3O)n2)cc1F ZINC000159510239 534231320 /nfs/dbraw/zinc/23/13/20/534231320.db2.gz WSCZOMMACIAVPK-RDJZCZTQSA-N 1 0 347.434 3.210 20 70 EGIDRO CCC[N@@H+]1CC[C@@H](CNC(=O)N[C@@H](C)c2cccc(F)c2F)C1 ZINC000160062951 528251813 /nfs/dbraw/zinc/25/18/13/528251813.db2.gz GXWAHJPYDDQFNH-STQMWFEESA-N 1 0 325.403 3.057 20 70 EGIDRO CCCn1c(C)nnc1CN(C)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160133306 528811072 /nfs/dbraw/zinc/81/10/72/528811072.db2.gz VANPOTSEEDHTBW-LJQANCHMSA-N 1 0 341.503 3.093 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000159891649 529030552 /nfs/dbraw/zinc/03/05/52/529030552.db2.gz FUAOMLJTQFALCM-OAHLLOKOSA-N 1 0 342.443 3.140 20 70 EGIDRO C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@@H+]1CC[C@@H](Nc2ccccc2)C1 ZINC000216762581 574917143 /nfs/dbraw/zinc/91/71/43/574917143.db2.gz BKLHPEBUIFQKAC-BHIYHBOVSA-N 1 0 329.488 3.210 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000161356864 283594356 /nfs/dbraw/zinc/59/43/56/283594356.db2.gz JZFKTFNCILCSAP-CHWSQXEVSA-N 1 0 328.378 3.409 20 70 EGIDRO O=C(C[C@H]1OCCc2ccccc21)NCC[NH2+]C1CCCCCC1 ZINC000159706088 225262901 /nfs/dbraw/zinc/26/29/01/225262901.db2.gz AUFZKVXHGCROLB-LJQANCHMSA-N 1 0 330.472 3.119 20 70 EGIDRO Cc1ccc([C@H](CNC(=O)Cc2nc(C)sc2C)[NH+]2CCCC2)o1 ZINC000160134429 225344677 /nfs/dbraw/zinc/34/46/77/225344677.db2.gz UQMXUDPECUVKOW-INIZCTEOSA-N 1 0 347.484 3.157 20 70 EGIDRO [NH3+][C@H]1CC[C@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000161321084 225601567 /nfs/dbraw/zinc/60/15/67/225601567.db2.gz BNOXFBUNZANMQE-FZMZJTMJSA-N 1 0 326.362 3.328 20 70 EGIDRO [NH3+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2cc(Br)ccc2c1 ZINC000159652952 274949589 /nfs/dbraw/zinc/94/95/89/274949589.db2.gz HENKPNQOWWPETC-GOEBONIOSA-N 1 0 347.256 3.460 20 70 EGIDRO CC[NH+](CC)[C@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160775346 275195977 /nfs/dbraw/zinc/19/59/77/275195977.db2.gz VHHDZWFXZBNHAH-SFHVURJKSA-N 1 0 329.488 3.135 20 70 EGIDRO C[C@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCCC2=O)c1 ZINC000161078909 278272221 /nfs/dbraw/zinc/27/22/21/278272221.db2.gz FDMJBLGVPDFWNE-JQHSSLGASA-N 1 0 329.488 3.337 20 70 EGIDRO CCN(CC)[C@H](C[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000161274172 279164654 /nfs/dbraw/zinc/16/46/54/279164654.db2.gz TXSACRJCWOJDHR-FQEVSTJZSA-N 1 0 346.515 3.215 20 70 EGIDRO CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)C[C@@H]1C ZINC000161482625 279593219 /nfs/dbraw/zinc/59/32/19/279593219.db2.gz NOMKNYDCULBJNP-MLHJIOFPSA-N 1 0 348.487 3.374 20 70 EGIDRO C[C@H](C(=O)NC[C@H](C1CC1)[NH+](C)C)c1ccc(Br)cc1 ZINC000159460916 307874377 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C[C@@H]1C[C@H](NC(=O)N(C)C(C2CC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160092326 455428065 /nfs/dbraw/zinc/42/80/65/455428065.db2.gz VVGMWVNZSDKSAH-BEFAXECRSA-N 1 0 341.499 3.479 20 70 EGIDRO O=C(CSc1cccc(C(F)(F)F)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160551853 455473176 /nfs/dbraw/zinc/47/31/76/455473176.db2.gz VOOIPELCPDIDEF-BETUJISGSA-N 1 0 344.402 3.150 20 70 EGIDRO CCS[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000159441013 455376932 /nfs/dbraw/zinc/37/69/32/455376932.db2.gz JOAAFTNIFDSDLA-JLJPHGGASA-N 1 0 331.489 3.377 20 70 EGIDRO O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+][C@H]1CCSC1 ZINC000159564218 455384969 /nfs/dbraw/zinc/38/49/69/455384969.db2.gz HKZCNORSXGPTHN-ZWKOTPCHSA-N 1 0 326.465 3.332 20 70 EGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)N(Cc1ccco1)CC(F)(F)F ZINC000159606461 455388095 /nfs/dbraw/zinc/38/80/95/455388095.db2.gz KSLVRIKKONAGOL-ZFWWWQNUSA-N 1 0 344.377 3.435 20 70 EGIDRO CC(C)(C)C(=O)Nc1ccc(F)c(C(=O)NCC2([NH3+])CCCCC2)c1 ZINC000159683422 455395709 /nfs/dbraw/zinc/39/57/09/455395709.db2.gz KIQDHAROARFQDF-UHFFFAOYSA-N 1 0 349.450 3.202 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ccc(F)cc2)C2CCC2)CC1 ZINC000159821629 455406753 /nfs/dbraw/zinc/40/67/53/455406753.db2.gz WLVCWQJULBYVTR-SFHVURJKSA-N 1 0 333.451 3.404 20 70 EGIDRO CCSCC[C@H](C)[NH2+][C@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000160018192 455422070 /nfs/dbraw/zinc/42/20/70/455422070.db2.gz LUIFLDLDYJVJKV-FZMZJTMJSA-N 1 0 331.478 3.166 20 70 EGIDRO CCN(CCC[NH+]1CCCCC1)CC(=O)Nc1c(F)cccc1F ZINC000160455973 455461245 /nfs/dbraw/zinc/46/12/45/455461245.db2.gz UOPQZNHPSLOQQR-UHFFFAOYSA-N 1 0 339.430 3.101 20 70 EGIDRO C[C@H]1C[NH+](C[C@@H]2CCCN2c2nc3cc(F)ccc3o2)C[C@H](C)O1 ZINC000160501587 455466971 /nfs/dbraw/zinc/46/69/71/455466971.db2.gz OPOFZSJTPDFUMU-YDHLFZDLSA-N 1 0 333.407 3.045 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1C(=O)c1cccs1 ZINC000160528031 455470031 /nfs/dbraw/zinc/47/00/31/455470031.db2.gz YMDUAWSFDNGELX-UHFFFAOYSA-N 1 0 330.453 3.226 20 70 EGIDRO C[C@H](c1ccccc1)N(CC1CCC1)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000160528919 455471117 /nfs/dbraw/zinc/47/11/17/455471117.db2.gz QUGCFJAGANBQPT-VQIMIIECSA-N 1 0 330.472 3.145 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NCc2cccc(C[NH+](C)C)c2)n1 ZINC000160624839 455481157 /nfs/dbraw/zinc/48/11/57/455481157.db2.gz XMCXDOOVKKJABZ-UHFFFAOYSA-N 1 0 343.475 3.313 20 70 EGIDRO CN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000160630876 455481833 /nfs/dbraw/zinc/48/18/33/455481833.db2.gz HUCFMYSHGSYVGN-AWEZNQCLSA-N 1 0 330.428 3.033 20 70 EGIDRO C[C@@]1(CNc2ncnc3nc(N)ccc32)CCC[N@@H+]1Cc1ccccc1 ZINC000160802748 455499701 /nfs/dbraw/zinc/49/97/01/455499701.db2.gz ACVKIPPQKIDGSM-FQEVSTJZSA-N 1 0 348.454 3.074 20 70 EGIDRO C[C@H]([NH2+][C@@H](CCCO)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000160898529 455511219 /nfs/dbraw/zinc/51/12/19/455511219.db2.gz LWGIYEAREZUBCU-JXFKEZNVSA-N 1 0 336.439 3.432 20 70 EGIDRO c1nc2cnccn2c1C[NH+]1CCC(c2nc3ccccc3o2)CC1 ZINC000161052058 455528246 /nfs/dbraw/zinc/52/82/46/455528246.db2.gz UOSPXFSLCSLVLR-UHFFFAOYSA-N 1 0 333.395 3.250 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000161071372 455530137 /nfs/dbraw/zinc/53/01/37/455530137.db2.gz IHWCJRDNHOAYQT-FRQCXROJSA-N 1 0 331.504 3.035 20 70 EGIDRO C[C@@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1c(F)cccc1F ZINC000161075290 455530766 /nfs/dbraw/zinc/53/07/66/455530766.db2.gz OGWFYOOTCAZTTH-ZBFHGGJFSA-N 1 0 346.421 3.357 20 70 EGIDRO C[C@@H](N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCCC2=O)c1 ZINC000161079013 455530788 /nfs/dbraw/zinc/53/07/88/455530788.db2.gz FDMJBLGVPDFWNE-NXHRZFHOSA-N 1 0 329.488 3.337 20 70 EGIDRO C[C@H](CC(=O)N1C[C@@H](C)OC[C@@H]1c1ccccc1)C1CC[NH2+]CC1 ZINC000161089035 455531867 /nfs/dbraw/zinc/53/18/67/455531867.db2.gz KHXIZMVVZDUUAV-GPMSIDNRSA-N 1 0 330.472 3.001 20 70 EGIDRO Cc1ccc(C(=O)N[C@@H](C)C[NH+]2CCCCC2)c(Br)c1 ZINC000161100904 455533789 /nfs/dbraw/zinc/53/37/89/455533789.db2.gz POMXAMADTROONT-ZDUSSCGKSA-N 1 0 339.277 3.362 20 70 EGIDRO CCc1nc(-c2ccccc2NC(=O)[C@@H](C)[NH+]2CCCCCC2)n[nH]1 ZINC000161112696 455534686 /nfs/dbraw/zinc/53/46/86/455534686.db2.gz IZXRESGXZQUQIW-CQSZACIVSA-N 1 0 341.459 3.237 20 70 EGIDRO CS[C@@H]1CCCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000161125350 455536949 /nfs/dbraw/zinc/53/69/49/455536949.db2.gz OOPWZXJNKZKLMD-KGLIPLIRSA-N 1 0 341.546 3.278 20 70 EGIDRO C[NH+](C)CC(C)(C)CNC(=O)c1ccccc1NCc1ccco1 ZINC000161139387 455538972 /nfs/dbraw/zinc/53/89/72/455538972.db2.gz ZYSFNGPQENSWPA-UHFFFAOYSA-N 1 0 329.444 3.209 20 70 EGIDRO Cc1ccc(C(=O)N(CC[NH+](C)C)CC(C)C)c(Br)c1 ZINC000161141098 455539155 /nfs/dbraw/zinc/53/91/55/455539155.db2.gz HZCSRPNCEGJEAW-UHFFFAOYSA-N 1 0 341.293 3.417 20 70 EGIDRO COc1ccc([C@H](C)[NH2+]CCCc2nnc3n2CCCCC3)cc1F ZINC000161146753 455540117 /nfs/dbraw/zinc/54/01/17/455540117.db2.gz AHXXMJQNNIRQQN-AWEZNQCLSA-N 1 0 346.450 3.436 20 70 EGIDRO CC(C)OCc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161167572 455543009 /nfs/dbraw/zinc/54/30/09/455543009.db2.gz CPRCWSCWOGKYSX-ZIAGYGMSSA-N 1 0 330.428 3.358 20 70 EGIDRO CCc1ncc(NC(=O)NC[C@H](c2ccsc2)[NH+](CC)CC)cn1 ZINC000161177121 455543718 /nfs/dbraw/zinc/54/37/18/455543718.db2.gz GTSZCDVQOWDMCF-OAHLLOKOSA-N 1 0 347.488 3.305 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000161176887 455543950 /nfs/dbraw/zinc/54/39/50/455543950.db2.gz RVRPYNYENSSAPB-SWLSCSKDSA-N 1 0 328.378 3.409 20 70 EGIDRO CC(C)(C)[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)CC1 ZINC000161199038 455547123 /nfs/dbraw/zinc/54/71/23/455547123.db2.gz MUYSNDXTCKMFAW-CABCVRRESA-N 1 0 336.426 3.447 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000161203566 455547341 /nfs/dbraw/zinc/54/73/41/455547341.db2.gz ZIHODBAQORRQBM-INIZCTEOSA-N 1 0 330.378 3.456 20 70 EGIDRO CCN(CC)[C@@H](C[NH2+]C1CCC(NC(C)=O)CC1)c1ccccc1 ZINC000161210255 455548313 /nfs/dbraw/zinc/54/83/13/455548313.db2.gz MDGBTVZZDCEUOD-MHJFOBGBSA-N 1 0 331.504 3.106 20 70 EGIDRO COc1cc(OC)c(NC(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)cc1F ZINC000161209487 455548465 /nfs/dbraw/zinc/54/84/65/455548465.db2.gz XGOKGRASNLCQTL-DIFFPNOSSA-N 1 0 332.375 3.118 20 70 EGIDRO CCCC(C)(C)NC(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161260210 455552942 /nfs/dbraw/zinc/55/29/42/455552942.db2.gz RZCDWNJJXLBFCX-HNNXBMFYSA-N 1 0 332.492 3.485 20 70 EGIDRO Cc1ccc(C(=O)CC[N@@H+]2CCC[C@H](c3nnc(C4CC4)[nH]3)C2)cc1 ZINC000161305688 455557493 /nfs/dbraw/zinc/55/74/93/455557493.db2.gz WWQFWGBJESUJOP-KRWDZBQOSA-N 1 0 338.455 3.443 20 70 EGIDRO c1sc(C2CC2)nc1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000161322477 455558996 /nfs/dbraw/zinc/55/89/96/455558996.db2.gz MNTCVQFMHFJIOL-UHFFFAOYSA-N 1 0 327.497 3.381 20 70 EGIDRO C[C@H](CC(=O)N1CC[C@H](COCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000161325960 455559080 /nfs/dbraw/zinc/55/90/80/455559080.db2.gz FYLRZHLMAPOZJD-YZGWKJHDSA-N 1 0 344.499 3.078 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000161427614 455569627 /nfs/dbraw/zinc/56/96/27/455569627.db2.gz NQJIIOHPYLQBJE-HOTGVXAUSA-N 1 0 334.423 3.025 20 70 EGIDRO Cc1ccc(-c2ncc(C[NH+]3CCC(CC(N)=O)CC3)s2)cc1 ZINC000159843120 534216217 /nfs/dbraw/zinc/21/62/17/534216217.db2.gz RYLLVQAHVUTENH-UHFFFAOYSA-N 1 0 329.469 3.206 20 70 EGIDRO O=C(NC[C@@H]1CCc2ccccc21)C1(c2ccccc2)CC[NH2+]CC1 ZINC000159731622 534599875 /nfs/dbraw/zinc/59/98/75/534599875.db2.gz BYQOZQPIQNMIPU-SFHVURJKSA-N 1 0 334.463 3.154 20 70 EGIDRO CCN(CC)[C@@H](C[NH2+]Cc1ccccc1NC(C)=O)c1ccco1 ZINC000160367381 528246067 /nfs/dbraw/zinc/24/60/67/528246067.db2.gz APCUIKJKQSKBRU-SFHVURJKSA-N 1 0 329.444 3.411 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ccc(OC(F)F)cc2)CC1 ZINC000159632720 529029404 /nfs/dbraw/zinc/02/94/04/529029404.db2.gz QQWVJNDIJVPVOZ-ZDUSSCGKSA-N 1 0 341.402 3.086 20 70 EGIDRO CC[C@@H]([NH2+]Cc1ccc(C)nc1)c1ccccc1OCC(=O)N(C)C ZINC000161306626 546954170 /nfs/dbraw/zinc/95/41/70/546954170.db2.gz MXPSJOLKQREOKH-GOSISDBHSA-N 1 0 341.455 3.098 20 70 EGIDRO CN(C)c1cccc(C[N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)c1 ZINC000160889728 529788921 /nfs/dbraw/zinc/78/89/21/529788921.db2.gz ZZWXSGVETWLPIW-UHFFFAOYSA-N 1 0 345.531 3.469 20 70 EGIDRO COCCC1(C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC1 ZINC000161104909 533184631 /nfs/dbraw/zinc/18/46/31/533184631.db2.gz JDPDCZIJZKUXKY-UHFFFAOYSA-N 1 0 344.499 3.496 20 70 EGIDRO O[C@@H](C[N@@H+]1CCO[C@]2(CCc3ccccc32)C1)c1ccc(F)cc1 ZINC000159585929 285303781 /nfs/dbraw/zinc/30/37/81/285303781.db2.gz IKYSHQFQEOFOEJ-VQTJNVASSA-N 1 0 327.399 3.033 20 70 EGIDRO C[C@@H](CC(=O)N(C)C)[NH2+]Cc1cccc(OCc2ccccc2)c1 ZINC000159970460 533407644 /nfs/dbraw/zinc/40/76/44/533407644.db2.gz JOIMDNKSPQNYCM-INIZCTEOSA-N 1 0 326.440 3.222 20 70 EGIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@H](C)C3CCOCC3)CC2)cc1 ZINC000161055859 140967286 /nfs/dbraw/zinc/96/72/86/140967286.db2.gz DXZONLWIVJATPK-MRXNPFEDSA-N 1 0 330.472 3.004 20 70 EGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2cncc(OC(C)C)c2)c1 ZINC000161173824 152773230 /nfs/dbraw/zinc/77/32/30/152773230.db2.gz BGKSTLLVADJBAX-UHFFFAOYSA-N 1 0 341.455 3.251 20 70 EGIDRO Cc1cc(OCCCC(=O)N2CC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000159386639 225207258 /nfs/dbraw/zinc/20/72/58/225207258.db2.gz MMSKJHRGENGRIY-SFHVURJKSA-N 1 0 336.863 3.019 20 70 EGIDRO O=C([C@H]1C[C@H]1c1cccc(F)c1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159882975 225295333 /nfs/dbraw/zinc/29/53/33/225295333.db2.gz RSQUSVCXAWHZCW-HOTGVXAUSA-N 1 0 334.410 3.059 20 70 EGIDRO COCCOc1ccc([C@@H](C)[NH2+]C[C@](C)(O)c2ccsc2)cc1 ZINC000159949615 225309257 /nfs/dbraw/zinc/30/92/57/225309257.db2.gz DCEWTZRMFJJEPV-KDOFPFPSSA-N 1 0 335.469 3.332 20 70 EGIDRO Cc1ccc(NC(=O)CCCn2cccc2)c(OCC[NH+](C)C)c1 ZINC000159630099 225251766 /nfs/dbraw/zinc/25/17/66/225251766.db2.gz UINCWKYQATTWRL-UHFFFAOYSA-N 1 0 329.444 3.156 20 70 EGIDRO [NH3+][C@@H]1CCN(C(=O)[C@H](Sc2ccc(F)c(F)c2)c2ccccc2)C1 ZINC000160307353 225384704 /nfs/dbraw/zinc/38/47/04/225384704.db2.gz WKRXENXIYPYVIV-CXAGYDPISA-N 1 0 348.418 3.358 20 70 EGIDRO Cc1cccc2c(CCC(=O)NC[C@@H](C)C[NH+]3CCCC3)c[nH]c21 ZINC000161073818 225541502 /nfs/dbraw/zinc/54/15/02/225541502.db2.gz MHGOPVOQQFQEMK-OAHLLOKOSA-N 1 0 327.472 3.257 20 70 EGIDRO C[C@@H]([NH2+][C@H]1CCSC1)c1cc2c(cc1Br)OCCO2 ZINC000160834603 278386303 /nfs/dbraw/zinc/38/63/03/278386303.db2.gz JOUHUAHDMRNZBB-ZJUUUORDSA-N 1 0 344.274 3.376 20 70 EGIDRO Cc1cccc2ncnc(N3CCC[C@@H]3C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c12 ZINC000160482649 302072439 /nfs/dbraw/zinc/07/24/39/302072439.db2.gz QMAWACNKCWBZDE-IXDOHACOSA-N 1 0 340.471 3.016 20 70 EGIDRO CCOc1cccc(C[NH2+][C@H](C)Cn2cc(Br)cn2)c1 ZINC000159391872 307873228 /nfs/dbraw/zinc/87/32/28/307873228.db2.gz VHECAABSFIHAKP-GFCCVEGCSA-N 1 0 338.249 3.223 20 70 EGIDRO O=C(NC[C@@H]1CCCS1)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000160175851 307885585 /nfs/dbraw/zinc/88/55/85/307885585.db2.gz IQOAEUJMUNEVFQ-KRWDZBQOSA-N 1 0 339.549 3.180 20 70 EGIDRO C[C@H](NC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000160067584 533709699 /nfs/dbraw/zinc/70/96/99/533709699.db2.gz VPLHHZRBICOZBD-ZKYQVNSYSA-N 1 0 325.250 3.144 20 70 EGIDRO CCOC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159576011 455387235 /nfs/dbraw/zinc/38/72/35/455387235.db2.gz YYCBVXLVIBSCGI-QFBILLFUSA-N 1 0 326.440 3.251 20 70 EGIDRO O=C(NCCc1cc2ccccc2[nH]1)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000159579816 455387284 /nfs/dbraw/zinc/38/72/84/455387284.db2.gz ISJNERHCNAKVOH-NRFANRHFSA-N 1 0 347.462 3.491 20 70 EGIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000159983711 455420360 /nfs/dbraw/zinc/42/03/60/455420360.db2.gz PVWMZRHBAJSUMC-LBPRGKRZSA-N 1 0 327.266 3.262 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCC(F)(F)F)c2ccccc12 ZINC000160544040 455473117 /nfs/dbraw/zinc/47/31/17/455473117.db2.gz CGHYRTWBVFBYKM-LLVKDONJSA-N 1 0 340.345 3.178 20 70 EGIDRO C[C@]1(CNc2nccn(C3CC3)c2=O)CCC[N@@H+]1Cc1ccccc1 ZINC000160793044 455499122 /nfs/dbraw/zinc/49/91/22/455499122.db2.gz WTLRZSUNLWUXQV-HXUWFJFHSA-N 1 0 338.455 3.045 20 70 EGIDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@@H](C)CCn1cccn1 ZINC000159498596 455380540 /nfs/dbraw/zinc/38/05/40/455380540.db2.gz SATDKWOSFJULEY-RYUDHWBXSA-N 1 0 343.397 3.388 20 70 EGIDRO Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000159531977 455382874 /nfs/dbraw/zinc/38/28/74/455382874.db2.gz FHPKITKWLLSWCX-ROUUACIJSA-N 1 0 330.472 3.098 20 70 EGIDRO O=C(NC1CC[NH2+]CC1)c1ccc2cc(Br)ccc2c1 ZINC000159641961 455391357 /nfs/dbraw/zinc/39/13/57/455391357.db2.gz ZMOZSFYCZQOUIQ-UHFFFAOYSA-N 1 0 333.229 3.084 20 70 EGIDRO C[C@H](C(=O)NCCc1cc2ccccc2[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000159679727 455395894 /nfs/dbraw/zinc/39/58/94/455395894.db2.gz VQVBAIOIRYOPOD-MRXNPFEDSA-N 1 0 347.462 3.273 20 70 EGIDRO COc1ccc(NC(=O)N2CCC(CCC[NH+]3CCCC3)CC2)cn1 ZINC000160004632 455421237 /nfs/dbraw/zinc/42/12/37/455421237.db2.gz TYSYICZXTWIWRV-UHFFFAOYSA-N 1 0 346.475 3.210 20 70 EGIDRO CCCCn1ncc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c1C ZINC000160185716 455436414 /nfs/dbraw/zinc/43/64/14/455436414.db2.gz UFSWCHXXRWQDQH-UHFFFAOYSA-N 1 0 342.487 3.196 20 70 EGIDRO Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CCOCC3CC3)C2)cc1 ZINC000160269766 455444012 /nfs/dbraw/zinc/44/40/12/455444012.db2.gz HPIMELWHSWPWIF-GOSISDBHSA-N 1 0 345.487 3.255 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCSc3ccc(Cl)cc31)CC2 ZINC000160423821 455457001 /nfs/dbraw/zinc/45/70/01/455457001.db2.gz ZOJMKEMZXQMJBC-TZMCWYRMSA-N 1 0 334.876 3.381 20 70 EGIDRO COc1ccc([C@H](C)CCNC(=O)[C@H]2[NH2+]CCc3ccccc32)cc1 ZINC000160556713 455473666 /nfs/dbraw/zinc/47/36/66/455473666.db2.gz DYTWECWNDVPFGL-QRWLVFNGSA-N 1 0 338.451 3.192 20 70 EGIDRO CN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000160630750 455482036 /nfs/dbraw/zinc/48/20/36/455482036.db2.gz HUCFMYSHGSYVGN-CQSZACIVSA-N 1 0 330.428 3.033 20 70 EGIDRO [NH3+][C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000160725093 455491734 /nfs/dbraw/zinc/49/17/34/455491734.db2.gz DGPSETODPRNRSW-TXPKVOOTSA-N 1 0 326.415 3.353 20 70 EGIDRO C[C@@H]1C[C@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000160806449 455500571 /nfs/dbraw/zinc/50/05/71/455500571.db2.gz GAZNWNMPIMPHEJ-CJNGLKHVSA-N 1 0 335.879 3.274 20 70 EGIDRO O=C(N[C@H]1CC[N@@H+](C2CCCC2)C1)N(Cc1ccccc1)C1CC1 ZINC000160868216 455506642 /nfs/dbraw/zinc/50/66/42/455506642.db2.gz XIQXSGAPOKAYTM-KRWDZBQOSA-N 1 0 327.472 3.378 20 70 EGIDRO Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)cc1C ZINC000160900546 455510504 /nfs/dbraw/zinc/51/05/04/455510504.db2.gz UCARNJPVOADQHN-FBBABVLZSA-N 1 0 344.499 3.108 20 70 EGIDRO Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CC(=O)NC(C)C ZINC000160908824 455511649 /nfs/dbraw/zinc/51/16/49/455511649.db2.gz KZSPHIFIGMFAPH-LLVKDONJSA-N 1 0 335.448 3.433 20 70 EGIDRO CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC(=O)NC(C)C)cc1 ZINC000160919445 455512700 /nfs/dbraw/zinc/51/27/00/455512700.db2.gz IRSURJRHAKIXKD-KRWDZBQOSA-N 1 0 332.488 3.467 20 70 EGIDRO C[C@@H](NCc1ccccc1CS(C)(=O)=O)c1cccnc1Cl ZINC000160936248 455515749 /nfs/dbraw/zinc/51/57/49/455515749.db2.gz BCWBOZPKJJKCHB-GFCCVEGCSA-N 1 0 338.860 3.130 20 70 EGIDRO CC[C@@H](C(=O)Nc1nc(-c2cc(F)ccc2OC)cs1)[NH+](C)C ZINC000160985399 455520703 /nfs/dbraw/zinc/52/07/03/455520703.db2.gz XAPSTHSBRSPJTC-ZDUSSCGKSA-N 1 0 337.420 3.237 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2cnc(-c3ccccc3F)s2)CC1 ZINC000161086996 455531873 /nfs/dbraw/zinc/53/18/73/455531873.db2.gz YVIPRDWJURAEQG-UHFFFAOYSA-N 1 0 347.459 3.411 20 70 EGIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000161091022 455532112 /nfs/dbraw/zinc/53/21/12/455532112.db2.gz ZAEKUPBZOTTXIA-GOSISDBHSA-N 1 0 344.480 3.422 20 70 EGIDRO CCc1ccc([C@H](C[NH2+]C2CCC3(CC2)OCCO3)N(C)C)cc1 ZINC000161209864 455548765 /nfs/dbraw/zinc/54/87/65/455548765.db2.gz XFBIRTQKBPSHPD-IBGZPJMESA-N 1 0 332.488 3.127 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000161295385 455556718 /nfs/dbraw/zinc/55/67/18/455556718.db2.gz HPNNFJVOOQQYIQ-ZACQAIPSSA-N 1 0 344.503 3.295 20 70 EGIDRO CCOc1ccccc1C[N@@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000161400019 455566600 /nfs/dbraw/zinc/56/66/00/455566600.db2.gz KDDYQOWOTQKNJS-MRXNPFEDSA-N 1 0 326.444 3.003 20 70 EGIDRO OC[C@@H]1CCCC[N@@H+]1Cc1cc(Br)cc2cccnc21 ZINC000161420493 455569147 /nfs/dbraw/zinc/56/91/47/455569147.db2.gz XFESRNJHQQQHBZ-HNNXBMFYSA-N 1 0 335.245 3.344 20 70 EGIDRO Cc1nc(C)c(-c2csc(NC(=O)[C@]3(C)CCC[NH2+]C3)n2)s1 ZINC000161472115 455573089 /nfs/dbraw/zinc/57/30/89/455573089.db2.gz IYCFKMYFVUEUOI-OAHLLOKOSA-N 1 0 336.486 3.212 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000161333883 526699121 /nfs/dbraw/zinc/69/91/21/526699121.db2.gz NAGQEQGOATXUQQ-UHFFFAOYSA-N 1 0 344.377 3.121 20 70 EGIDRO CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)c1cnccn1 ZINC000160292577 528155308 /nfs/dbraw/zinc/15/53/08/528155308.db2.gz VTZOEYZXIJCXOO-INIZCTEOSA-N 1 0 328.460 3.048 20 70 EGIDRO CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCC(=O)C[C@@H]1C)Cc1ccccc1 ZINC000159854469 528277656 /nfs/dbraw/zinc/27/76/56/528277656.db2.gz UKUHLKWPAZOKSN-QRFRQXIXSA-N 1 0 344.499 3.061 20 70 EGIDRO CCCOc1ccc(-c2nc(C(=O)N3CCC[C@@H]3C[NH3+])cs2)cc1 ZINC000160258808 528637397 /nfs/dbraw/zinc/63/73/97/528637397.db2.gz COPBVBDRVDZIMT-CQSZACIVSA-N 1 0 345.468 3.162 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H]1CCCN(c2ccccc2Cl)C1 ZINC000161291850 528649960 /nfs/dbraw/zinc/64/99/60/528649960.db2.gz LKGKUWPCCAXKNB-AWEZNQCLSA-N 1 0 337.895 3.190 20 70 EGIDRO CC(C)[C@@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161032827 535167301 /nfs/dbraw/zinc/16/73/01/535167301.db2.gz OYOXEAATQUDWTC-CYBMUJFWSA-N 1 0 341.293 3.432 20 70 EGIDRO Cc1ccc(NC(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2)cn1 ZINC000161494004 546955406 /nfs/dbraw/zinc/95/54/06/546955406.db2.gz JDTHZWWZNNLOIT-UHFFFAOYSA-N 1 0 330.407 3.125 20 70 EGIDRO COc1cc2c(cc1C[NH2+][C@@H]1[C@@H]3CCO[C@@H]3C13CCC3)O[C@@H](C)C2 ZINC000159537554 286253950 /nfs/dbraw/zinc/25/39/50/286253950.db2.gz HPANASUEORSUKR-SRRFXAJZSA-N 1 0 329.440 3.066 20 70 EGIDRO CC[NH+](CC)[C@H]1CCN(C(=O)c2ccc(C)cc2Br)C1 ZINC000161166371 152772192 /nfs/dbraw/zinc/77/21/92/152772192.db2.gz CXQJBFDXHZOHCU-ZDUSSCGKSA-N 1 0 339.277 3.314 20 70 EGIDRO O[C@H](Cc1ccccc1)C[NH+]1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000218709176 153422369 /nfs/dbraw/zinc/42/23/69/153422369.db2.gz OHUUEZMVZHBORZ-HXUWFJFHSA-N 1 0 344.886 3.061 20 70 EGIDRO C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H](C)c1cccc(Br)c1 ZINC000159779437 225276536 /nfs/dbraw/zinc/27/65/36/225276536.db2.gz NIWRFURQMYCNPZ-TYNCELHUSA-N 1 0 328.250 3.294 20 70 EGIDRO CN(C)c1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000161383411 225617165 /nfs/dbraw/zinc/61/71/65/225617165.db2.gz ULQWKDZOCKBGSK-UHFFFAOYSA-N 1 0 346.519 3.016 20 70 EGIDRO CCCCn1ncc(C(=O)NCCC[N@H+](C)Cc2ccccc2)c1C ZINC000160219898 264870999 /nfs/dbraw/zinc/87/09/99/264870999.db2.gz KRPOTAUXBIUHPE-UHFFFAOYSA-N 1 0 342.487 3.244 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2cc3cc(C)ccc3nc2C)CC1 ZINC000161099146 264887896 /nfs/dbraw/zinc/88/78/96/264887896.db2.gz VUXJMFPBLNZNQI-UHFFFAOYSA-N 1 0 325.456 3.313 20 70 EGIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@H]1CCOC(C)(C)C1 ZINC000161478271 276110898 /nfs/dbraw/zinc/11/08/98/276110898.db2.gz WOZUIAZSRBOMSS-SFHVURJKSA-N 1 0 347.503 3.285 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@H](C)[NH+]2CCC(C)CC2)c1C ZINC000159698718 307878167 /nfs/dbraw/zinc/87/81/67/307878167.db2.gz VSMRGQNSNJXDNF-HNNXBMFYSA-N 1 0 335.496 3.234 20 70 EGIDRO Cc1ccc(C)c([C@H](C)[NH2+]C[C@@]2(N3CCOCC3)CCSC2)c1 ZINC000160811735 307894861 /nfs/dbraw/zinc/89/48/61/307894861.db2.gz USJVTFFOVOHYFA-HKUYNNGSSA-N 1 0 334.529 3.162 20 70 EGIDRO CCCNC(=O)C1([NH2+]Cc2ccc(-n3cccn3)cc2)CCCCC1 ZINC000159545029 455384653 /nfs/dbraw/zinc/38/46/53/455384653.db2.gz GYBHQOYQKLIBBA-UHFFFAOYSA-N 1 0 340.471 3.191 20 70 EGIDRO NC(=O)CC1CC[NH+](Cc2ccccc2OCc2ccccc2)CC1 ZINC000159784372 455404015 /nfs/dbraw/zinc/40/40/15/455404015.db2.gz NEMPMJDGTIQZFH-UHFFFAOYSA-N 1 0 338.451 3.353 20 70 EGIDRO CC(C)N(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1OCc1ccccc1 ZINC000159778331 455404190 /nfs/dbraw/zinc/40/41/90/455404190.db2.gz IMHLDAGOWWMNCA-MOPGFXCFSA-N 1 0 347.503 3.106 20 70 EGIDRO COc1cccc(C(=O)N2CC[NH+](CCC3CCCC3)CC2)c1OC ZINC000159799744 455404779 /nfs/dbraw/zinc/40/47/79/455404779.db2.gz KWFYNXFXNPVRHX-UHFFFAOYSA-N 1 0 346.471 3.042 20 70 EGIDRO Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000160039419 455423885 /nfs/dbraw/zinc/42/38/85/455423885.db2.gz HGOLWVASTXUUPB-QFBILLFUSA-N 1 0 338.499 3.328 20 70 EGIDRO C[C@@H]([NH2+]C1CCN(C(=O)c2ccncc2)CC1)[C@H](C)c1ccccc1 ZINC000160213702 455438935 /nfs/dbraw/zinc/43/89/35/455438935.db2.gz RNHQOCTULVQPLI-DLBZAZTESA-N 1 0 337.467 3.468 20 70 EGIDRO CCS[C@H]1CCC[C@@H]([NH2+][C@@H](C)c2ccc(-n3cnnn3)cc2)C1 ZINC000159441394 455377171 /nfs/dbraw/zinc/37/71/71/455377171.db2.gz JOAAFTNIFDSDLA-LXZKKBNFSA-N 1 0 331.489 3.377 20 70 EGIDRO CC[C@]1(C)C[C@@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000159490334 455380352 /nfs/dbraw/zinc/38/03/52/455380352.db2.gz KHUNCNDBBYLLRV-WSTZPKSXSA-N 1 0 330.472 3.385 20 70 EGIDRO COc1cccc(CNC(=O)CC[NH2+]C(C)C)c1OC1CCCC1 ZINC000159856791 455410391 /nfs/dbraw/zinc/41/03/91/455410391.db2.gz IYHAADKYONCLCZ-UHFFFAOYSA-N 1 0 334.460 3.021 20 70 EGIDRO CCOc1ccc([C@@H](C)[NH2+]C2CCN(CC(F)F)CC2)cc1OC ZINC000159958070 455418258 /nfs/dbraw/zinc/41/82/58/455418258.db2.gz GWMLNSJMLKDQPU-CYBMUJFWSA-N 1 0 342.430 3.474 20 70 EGIDRO C[C@H](N(C)C(=O)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000160372705 455452026 /nfs/dbraw/zinc/45/20/26/455452026.db2.gz YGXJSOQNOCPEAD-SOLBZPMBSA-N 1 0 329.488 3.479 20 70 EGIDRO CCSCC[N@@H+]1CCC[C@@H](CNC(=O)Nc2cccc(F)c2)C1 ZINC000160446581 455460035 /nfs/dbraw/zinc/46/00/35/455460035.db2.gz RDBSZTAVCARGPI-AWEZNQCLSA-N 1 0 339.480 3.412 20 70 EGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1nc2ccccc2s1 ZINC000160453393 455461219 /nfs/dbraw/zinc/46/12/19/455461219.db2.gz UJOWEPVMWIGFQP-OAHLLOKOSA-N 1 0 345.512 3.466 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1sc(C(C)(C)C)nc1C)CC2 ZINC000160497964 455466529 /nfs/dbraw/zinc/46/65/29/455466529.db2.gz HPBDJMYZWQBWQK-GXFFZTMASA-N 1 0 333.505 3.315 20 70 EGIDRO COc1ccc(CCCC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC000160503894 455466778 /nfs/dbraw/zinc/46/67/78/455466778.db2.gz HKCBLVQJJUVGNL-GOSISDBHSA-N 1 0 332.488 3.255 20 70 EGIDRO C[C@@H]([NH2+]CCSc1ccccc1)c1ccc(-n2cnnn2)cc1 ZINC000160525710 455469227 /nfs/dbraw/zinc/46/92/27/455469227.db2.gz SUPBOIJVRMDZNC-CQSZACIVSA-N 1 0 325.441 3.105 20 70 EGIDRO CSCC[C@@H]([NH3+])C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000160524692 455469231 /nfs/dbraw/zinc/46/92/31/455469231.db2.gz JCJLBRTWUKOTLN-GOSISDBHSA-N 1 0 328.481 3.093 20 70 EGIDRO C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000160533537 455470525 /nfs/dbraw/zinc/47/05/25/455470525.db2.gz PKBLRSNCNGMLOB-ZIFCJYIRSA-N 1 0 330.520 3.280 20 70 EGIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(CCc1cccc(F)c1)C1CC1 ZINC000160627417 455481722 /nfs/dbraw/zinc/48/17/22/455481722.db2.gz HITIIYOOUSNLCH-SFHVURJKSA-N 1 0 345.462 3.027 20 70 EGIDRO CCOCCC1(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CCC1 ZINC000160714868 455491082 /nfs/dbraw/zinc/49/10/82/455491082.db2.gz BJIHLSCPFKCYAN-KRWDZBQOSA-N 1 0 336.451 3.142 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)CCCc2ccc(Br)s2)C1 ZINC000160901470 455510943 /nfs/dbraw/zinc/51/09/43/455510943.db2.gz HYGCLPHBBOGIHI-MNOVXSKESA-N 1 0 345.306 3.219 20 70 EGIDRO CN(Cc1cnc2ccccn12)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160922717 455514021 /nfs/dbraw/zinc/51/40/21/455514021.db2.gz LPZKAOBYUMTJQF-LJQANCHMSA-N 1 0 334.467 3.431 20 70 EGIDRO O=C([C@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCN(Cc2ccccn2)CC1 ZINC000160935388 455515664 /nfs/dbraw/zinc/51/56/64/455515664.db2.gz RTYTVFIZTBSVPK-QRVBRYPASA-N 1 0 341.499 3.332 20 70 EGIDRO Cc1ccc(C(=O)CC[N@@H+]2CC[C@H]3[C@H](CCC(=O)N3C3CC3)C2)cc1 ZINC000160947186 455516372 /nfs/dbraw/zinc/51/63/72/455516372.db2.gz IXCUINMVKPCFQP-MJGOQNOKSA-N 1 0 340.467 3.043 20 70 EGIDRO Cc1ccsc1[C@H]1C[C@@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000160962825 455518540 /nfs/dbraw/zinc/51/85/40/455518540.db2.gz QROGPJYKPLPFRE-ROUUACIJSA-N 1 0 340.492 3.335 20 70 EGIDRO C[C@H](COc1ccc(F)cc1F)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000161001846 455522420 /nfs/dbraw/zinc/52/24/20/455522420.db2.gz SZSJQGGWVQXPHS-CYBMUJFWSA-N 1 0 348.393 3.224 20 70 EGIDRO COc1cc([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)cc(OC)c1OC ZINC000161055997 455528789 /nfs/dbraw/zinc/52/87/89/455528789.db2.gz KCYODNDBKQANMJ-BPUTZDHNSA-N 1 0 336.476 3.236 20 70 EGIDRO CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 ZINC000161080653 455530535 /nfs/dbraw/zinc/53/05/35/455530535.db2.gz ZBOMPAMFSPKADT-AUUYWEPGSA-N 1 0 326.440 3.352 20 70 EGIDRO CCc1nc2c(s1)[C@H]([NH2+][C@@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000161196046 455546800 /nfs/dbraw/zinc/54/68/00/455546800.db2.gz NZMPXSGAPODAHU-DZGCQCFKSA-N 1 0 343.496 3.377 20 70 EGIDRO Cc1nc(Cc2ccccc2)sc1C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000161222856 455549781 /nfs/dbraw/zinc/54/97/81/455549781.db2.gz YBOOUENHLRVGLY-HUUCEWRRSA-N 1 0 329.469 3.042 20 70 EGIDRO Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CCCCC2)c(Br)c1 ZINC000161236986 455551539 /nfs/dbraw/zinc/55/15/39/455551539.db2.gz LYIOCFHLLDQOGP-HNNXBMFYSA-N 1 0 339.277 3.395 20 70 EGIDRO C[C@@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000161249678 455552448 /nfs/dbraw/zinc/55/24/48/455552448.db2.gz KHVAXNZFPDKYBT-AWEZNQCLSA-N 1 0 342.414 3.279 20 70 EGIDRO Cc1nnc([C@@H]2Cc3ccccc3CN2CCC[NH+]2CCCCC2)o1 ZINC000161290907 455556668 /nfs/dbraw/zinc/55/66/68/455556668.db2.gz GGIDABQGFIIZNW-IBGZPJMESA-N 1 0 340.471 3.353 20 70 EGIDRO Cc1cc(OCC(=O)N2CC[C@H]([NH+]3CCCC3)C2)cc(C)c1Cl ZINC000161330017 455559828 /nfs/dbraw/zinc/55/98/28/455559828.db2.gz CDYITKIWBXXLJJ-HNNXBMFYSA-N 1 0 336.863 3.032 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCOc2cccc(C(F)(F)F)c2)CC1 ZINC000161333643 455560061 /nfs/dbraw/zinc/56/00/61/455560061.db2.gz WMZAAPCXPXKTPD-UHFFFAOYSA-N 1 0 344.377 3.121 20 70 EGIDRO Cc1ccccc1OCC[NH2+][C@@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000161341033 455561030 /nfs/dbraw/zinc/56/10/30/455561030.db2.gz BCXUVERBHTVWGR-HNNXBMFYSA-N 1 0 348.468 3.096 20 70 EGIDRO COc1cccc([C@@H](O)C[NH2+][C@@H]2CSCCc3ccccc32)c1 ZINC000161353806 455562108 /nfs/dbraw/zinc/56/21/08/455562108.db2.gz TYWYIPBCXLVDOU-MOPGFXCFSA-N 1 0 329.465 3.349 20 70 EGIDRO CCOCCC1(C(=O)N2CCC[N@H+](Cc3ccccc3)CC2)CCC1 ZINC000161363741 455563307 /nfs/dbraw/zinc/56/33/07/455563307.db2.gz PQGLGFHIKAWEMX-UHFFFAOYSA-N 1 0 344.499 3.318 20 70 EGIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000161381210 455564710 /nfs/dbraw/zinc/56/47/10/455564710.db2.gz CBBGJDSTMWGCMB-WBMJQRKESA-N 1 0 346.862 3.189 20 70 EGIDRO CC[C@@H]1CCCC[C@@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000161423096 455569099 /nfs/dbraw/zinc/56/90/99/455569099.db2.gz NNVZNRFJANDULN-PBHICJAKSA-N 1 0 325.474 3.027 20 70 EGIDRO CCC[C@H](C)[C@H](CC)[NH2+][C@@H](C)c1cccc(S(=O)(=O)NC)c1 ZINC000161461363 455572382 /nfs/dbraw/zinc/57/23/82/455572382.db2.gz SFWXULDYLCVFSA-ZQIUZPCESA-N 1 0 326.506 3.460 20 70 EGIDRO C[C@H](CCc1ccco1)[NH2+]CCCCN1C(=O)c2ccccc2C1=O ZINC000161461443 455572461 /nfs/dbraw/zinc/57/24/61/455572461.db2.gz UXCOPJUYEGRBSW-OAHLLOKOSA-N 1 0 340.423 3.267 20 70 EGIDRO COc1cccc(CC(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)c1 ZINC000161465371 455572696 /nfs/dbraw/zinc/57/26/96/455572696.db2.gz OTEVIKYRDDUSAK-UHFFFAOYSA-N 1 0 344.499 3.397 20 70 EGIDRO CCN(CCCNC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000161471742 455573250 /nfs/dbraw/zinc/57/32/50/455573250.db2.gz MYAWHUKSNDTBFD-MRXNPFEDSA-N 1 0 333.476 3.160 20 70 EGIDRO COc1ccc([C@H](NC(=O)CCC[NH3+])c2ccccc2Cl)cc1 ZINC000161479212 455573676 /nfs/dbraw/zinc/57/36/76/455573676.db2.gz RCIGOQQQPGKCDP-SFHVURJKSA-N 1 0 332.831 3.293 20 70 EGIDRO O=C(Nc1ccccc1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000161485812 455574883 /nfs/dbraw/zinc/57/48/83/455574883.db2.gz DBPYBXNMUOEOON-UHFFFAOYSA-N 1 0 331.460 3.043 20 70 EGIDRO Cc1cc(NC(=O)C[NH2+][C@H]2CCCC[C@H]2C)n(-c2ccc(F)cc2)n1 ZINC000217141988 456031493 /nfs/dbraw/zinc/03/14/93/456031493.db2.gz HGRSGHWBYCJHKO-DYVFJYSZSA-N 1 0 344.434 3.427 20 70 EGIDRO Cc1ccc(CCNC(=O)N2CCC[C@H]2C[NH+]2CCCCC2)cc1 ZINC000217225204 456032064 /nfs/dbraw/zinc/03/20/64/456032064.db2.gz BVSDTZGMDMCUCE-IBGZPJMESA-N 1 0 329.488 3.197 20 70 EGIDRO Cc1ccc(Br)c(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217537954 456033873 /nfs/dbraw/zinc/03/38/73/456033873.db2.gz SXNJOYLBXGHOJJ-GJZGRUSLSA-N 1 0 337.261 3.114 20 70 EGIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000160275832 534230310 /nfs/dbraw/zinc/23/03/10/534230310.db2.gz LDCHJEPCTJYSGY-DZGCQCFKSA-N 1 0 342.405 3.294 20 70 EGIDRO CCCOc1cccc(NC(=O)N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000159417935 528763010 /nfs/dbraw/zinc/76/30/10/528763010.db2.gz KYHSOUXHJVRMPV-MAUKXSAKSA-N 1 0 331.460 3.423 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1csc(Cc2ccccc2F)n1 ZINC000160422942 528946719 /nfs/dbraw/zinc/94/67/19/528946719.db2.gz BIQAQGBGKPULPJ-UHFFFAOYSA-N 1 0 335.448 3.120 20 70 EGIDRO C[C@H](CC1CCCC1)C(=O)NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000160498937 537706314 /nfs/dbraw/zinc/70/63/14/537706314.db2.gz SXRCMQFBJAKISD-LZQZEXGQSA-N 1 0 336.520 3.087 20 70 EGIDRO CCC(C)(CC)C(=O)Nc1ccc(CN2CCN(C(C)=O)CC2)cc1 ZINC000159528029 546939466 /nfs/dbraw/zinc/93/94/66/546939466.db2.gz KMBCTRGZQGNLRV-UHFFFAOYSA-N 1 0 345.487 3.116 20 70 EGIDRO COC[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)C1CC1 ZINC000159596822 546939567 /nfs/dbraw/zinc/93/95/67/546939567.db2.gz QKXVPWVINRGXNW-VQTJNVASSA-N 1 0 338.451 3.251 20 70 EGIDRO C[C@@H]1C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C[C@@H](c2ccccc2)C1 ZINC000160626869 546948664 /nfs/dbraw/zinc/94/86/64/546948664.db2.gz HXNKATDAZWZKKU-AEGPPILISA-N 1 0 328.378 3.227 20 70 EGIDRO COc1ccc(Br)cc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000218011984 547240874 /nfs/dbraw/zinc/24/08/74/547240874.db2.gz FEDIVYHSCDBSPC-CABCVRRESA-N 1 0 339.277 3.126 20 70 EGIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc(-n2ccnc2)nc1 ZINC000159376154 529999721 /nfs/dbraw/zinc/99/97/21/529999721.db2.gz LQWQBZGHALGBGR-UHFFFAOYSA-N 1 0 349.482 3.268 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000161177209 283554135 /nfs/dbraw/zinc/55/41/35/283554135.db2.gz RVRPYNYENSSAPB-DOMZBBRYSA-N 1 0 328.378 3.409 20 70 EGIDRO COc1ccc([C@@H](CO)[N@H+](C)CCC(=O)c2ccc(C)cc2)cc1 ZINC000159667037 533127777 /nfs/dbraw/zinc/12/77/77/533127777.db2.gz RGRJYAWOXDFJPN-LJQANCHMSA-N 1 0 327.424 3.242 20 70 EGIDRO COc1ccc([C@H](C)[NH2+][C@@H]2CCCSC2)cc1Cn1cccn1 ZINC000159624553 533174992 /nfs/dbraw/zinc/17/49/92/533174992.db2.gz RJLYXHWFPRGZOU-WMLDXEAASA-N 1 0 331.485 3.486 20 70 EGIDRO Cc1ccc(C(=O)NCC[NH+](C(C)C)C(C)C)c(Br)n1 ZINC000160361476 225395512 /nfs/dbraw/zinc/39/55/12/225395512.db2.gz XRMCELQBQGYIPI-UHFFFAOYSA-N 1 0 342.281 3.001 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCc3c1ccc(Cl)c3Cl)CC2 ZINC000160569258 274854117 /nfs/dbraw/zinc/85/41/17/274854117.db2.gz IUQROGIHAQAJJD-HZMBPMFUSA-N 1 0 337.254 3.485 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2cccc(N3CCCC3)c2)CC1 ZINC000159968074 279285798 /nfs/dbraw/zinc/28/57/98/279285798.db2.gz YYNLUZVYUKMILX-KRWDZBQOSA-N 1 0 344.503 3.085 20 70 EGIDRO O=C([C@@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159809766 307880099 /nfs/dbraw/zinc/88/00/99/307880099.db2.gz NWAWGODNXANBGX-HKUYNNGSSA-N 1 0 340.854 3.370 20 70 EGIDRO COc1cc(C2(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)CC2)ccc1C ZINC000160068574 307884110 /nfs/dbraw/zinc/88/41/10/307884110.db2.gz CGMSLOLUARXLFZ-UHFFFAOYSA-N 1 0 344.499 3.461 20 70 EGIDRO COC(=O)c1csc(NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)c1 ZINC000160731876 307894264 /nfs/dbraw/zinc/89/42/64/307894264.db2.gz CWYKDCUVHJBVOI-GFCCVEGCSA-N 1 0 341.477 3.023 20 70 EGIDRO CCC[C@](C)(O)C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000159663613 455393619 /nfs/dbraw/zinc/39/36/19/455393619.db2.gz MTTPWRKYUIBYAW-IBGZPJMESA-N 1 0 334.460 3.041 20 70 EGIDRO COc1ccc(COCCC(=O)NCC[NH2+]C2CCCCCC2)cc1 ZINC000159658599 455393906 /nfs/dbraw/zinc/39/39/06/455393906.db2.gz STUAWCANLFZWPP-UHFFFAOYSA-N 1 0 348.487 3.031 20 70 EGIDRO O=C([C@H]1CCCC[C@H]1C(F)(F)F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159832376 455408177 /nfs/dbraw/zinc/40/81/77/455408177.db2.gz NXKXPFQIDRVNDJ-LSDHHAIUSA-N 1 0 332.410 3.346 20 70 EGIDRO Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN2C(=O)NC3(CCCC3)C2=O)c1 ZINC000159763240 455401796 /nfs/dbraw/zinc/40/17/96/455401796.db2.gz XBUZPSQWGNZHID-MRXNPFEDSA-N 1 0 343.471 3.161 20 70 EGIDRO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CCOCC3CC3)C2)cc1 ZINC000160269658 455443029 /nfs/dbraw/zinc/44/30/29/455443029.db2.gz HPIMELWHSWPWIF-SFHVURJKSA-N 1 0 345.487 3.255 20 70 EGIDRO CCc1ccc(CCNC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000160368824 455452310 /nfs/dbraw/zinc/45/23/10/455452310.db2.gz MEPIYRKZDVRCBR-FQEVSTJZSA-N 1 0 343.515 3.451 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1)CC2 ZINC000160560308 455474909 /nfs/dbraw/zinc/47/49/09/455474909.db2.gz WIMYOJLDFWFGMW-GXFFZTMASA-N 1 0 340.349 3.151 20 70 EGIDRO C[C@@H](C(=O)N(C)Cc1nc(-c2ccccc2)c[nH]1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000160513105 455467507 /nfs/dbraw/zinc/46/75/07/455467507.db2.gz WKLAQCUPAVOTDJ-XHSDSOJGSA-N 1 0 340.471 3.296 20 70 EGIDRO C[C@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000160771066 455497313 /nfs/dbraw/zinc/49/73/13/455497313.db2.gz SRUSQXQRADKHLL-HFTRVMKXSA-N 1 0 334.891 3.461 20 70 EGIDRO COc1ccc(CC[C@@H]2CCCC[N@H+]2CC(OC)OC)cc1OC ZINC000160824775 455502483 /nfs/dbraw/zinc/50/24/83/455502483.db2.gz GPFMTALIQNMHFI-INIZCTEOSA-N 1 0 337.460 3.110 20 70 EGIDRO CC(C)(C)c1nsc(NCC2([NH+]3CCCCC3)CCOCC2)n1 ZINC000159560204 455385635 /nfs/dbraw/zinc/38/56/35/455385635.db2.gz UJNLECVQCLDAIZ-UHFFFAOYSA-N 1 0 338.521 3.283 20 70 EGIDRO COc1cc2c(cc1OC)C[N@H+](Cc1cccc(-n3cccn3)c1)CC2 ZINC000159774230 455402898 /nfs/dbraw/zinc/40/28/98/455402898.db2.gz DCGHVEQTICSYGC-UHFFFAOYSA-N 1 0 349.434 3.448 20 70 EGIDRO CCc1cccc2c(CCNC(=O)N3CCC[N@@H+](CC)CC3)c[nH]c21 ZINC000159848242 455409342 /nfs/dbraw/zinc/40/93/42/455409342.db2.gz XAXOBEIQBRXNAA-UHFFFAOYSA-N 1 0 342.487 3.010 20 70 EGIDRO CCCCNC(=O)[C@H]1CCC[N@H+](CCCc2cccc(OC)c2)C1 ZINC000159884813 455412201 /nfs/dbraw/zinc/41/22/01/455412201.db2.gz ROHIURKATYLZTP-SFHVURJKSA-N 1 0 332.488 3.256 20 70 EGIDRO CCC[C@@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC000160147061 455433092 /nfs/dbraw/zinc/43/30/92/455433092.db2.gz IUTPQTDIBNBCTI-LJQANCHMSA-N 1 0 347.503 3.237 20 70 EGIDRO C[N@H+](CCN1CCO[C@H](c2cccc(O)c2)C1)Cc1ccc(F)cc1 ZINC000160298934 455446491 /nfs/dbraw/zinc/44/64/91/455446491.db2.gz FOHCDUILDYHVSK-FQEVSTJZSA-N 1 0 344.430 3.037 20 70 EGIDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)N1CCC2(CCC2)C1 ZINC000160308771 455447888 /nfs/dbraw/zinc/44/78/88/455447888.db2.gz SKGJOWUNLJGQHD-GOSISDBHSA-N 1 0 327.472 3.409 20 70 EGIDRO CC[C@@H](CC(=O)NCC1([NH+](C)C)CCOCC1)c1ccc(C)cc1 ZINC000160334063 455448300 /nfs/dbraw/zinc/44/83/00/455448300.db2.gz AUVJATPQJMUSQB-KRWDZBQOSA-N 1 0 332.488 3.106 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1ccc(OCC(C)C)cc1)CC2 ZINC000160453872 455461068 /nfs/dbraw/zinc/46/10/68/455461068.db2.gz PMSITFURMWCMKS-YOEHRIQHSA-N 1 0 328.460 3.287 20 70 EGIDRO COc1ccccc1[C@@H](C)[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160453873 455461276 /nfs/dbraw/zinc/46/12/76/455461276.db2.gz RDSZRSVOYCFXSR-QGZVFWFLSA-N 1 0 340.467 3.378 20 70 EGIDRO Cc1cc2c(ncnc2N2CCC[C@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000160463138 455462094 /nfs/dbraw/zinc/46/20/94/455462094.db2.gz SNBCUCANDSQKPU-GUTXKFCHSA-N 1 0 346.500 3.078 20 70 EGIDRO O=C(CC1CCCCCC1)NC1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000160471737 455463242 /nfs/dbraw/zinc/46/32/42/455463242.db2.gz IEGSIJPIKMJZIP-OALUTQOASA-N 1 0 336.520 3.231 20 70 EGIDRO COc1ccc([C@H](CCC(C)C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160527401 455469344 /nfs/dbraw/zinc/46/93/44/455469344.db2.gz NRVOCPCLEWTZHN-HNNXBMFYSA-N 1 0 346.393 3.441 20 70 EGIDRO C[C@@H](C(=O)NCc1csc(-c2ccco2)n1)[NH+]1[C@H](C)CC[C@H]1C ZINC000160522092 455469395 /nfs/dbraw/zinc/46/93/95/455469395.db2.gz JHENZRNNWXBTJL-UPJWGTAASA-N 1 0 333.457 3.281 20 70 EGIDRO CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160642190 455482769 /nfs/dbraw/zinc/48/27/69/455482769.db2.gz QHNQJYCITRCPPB-QFBILLFUSA-N 1 0 329.488 3.481 20 70 EGIDRO C[NH+](C)Cc1ccc(C(=O)NCCc2csc(C(C)(C)C)n2)cc1 ZINC000160750631 455495187 /nfs/dbraw/zinc/49/51/87/455495187.db2.gz CLGMLNLBKIPFMR-UHFFFAOYSA-N 1 0 345.512 3.475 20 70 EGIDRO CC(C)[NH2+]CCC(=O)Nc1cccc(C[S@](=O)c2ccccc2)c1 ZINC000160851185 455505407 /nfs/dbraw/zinc/50/54/07/455505407.db2.gz NMKPKDRZRPAUPM-XMMPIXPASA-N 1 0 344.480 3.321 20 70 EGIDRO CC[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1=O)c1ccc(F)cc1F ZINC000160908675 455511641 /nfs/dbraw/zinc/51/16/41/455511641.db2.gz JSFVBOCMUSQGKH-QWHCGFSZSA-N 1 0 336.304 3.169 20 70 EGIDRO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCN(Cc2ccccn2)CC1 ZINC000160935271 455515785 /nfs/dbraw/zinc/51/57/85/455515785.db2.gz RTYTVFIZTBSVPK-GUDVDZBRSA-N 1 0 341.499 3.332 20 70 EGIDRO C[C@H](CC(=O)c1cccs1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000160951363 455517615 /nfs/dbraw/zinc/51/76/15/455517615.db2.gz LHIDNLLMWUJSRZ-CYBMUJFWSA-N 1 0 330.453 3.201 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H]1C[C@H](C)c2c1cccc2Br ZINC000160977887 455520033 /nfs/dbraw/zinc/52/00/33/455520033.db2.gz VKRFVIAIJQBDRL-GWCFXTLKSA-N 1 0 325.250 3.112 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000161006879 455523047 /nfs/dbraw/zinc/52/30/47/455523047.db2.gz NGEMIXAOLUCDLR-NWDGAFQWSA-N 1 0 349.887 3.392 20 70 EGIDRO C[NH+](C)Cc1ccc(C(=O)N2CCC(Oc3ccccc3)CC2)cc1 ZINC000161024802 455525313 /nfs/dbraw/zinc/52/53/13/455525313.db2.gz HCOOMWKLVHTUNS-UHFFFAOYSA-N 1 0 338.451 3.432 20 70 EGIDRO CC[C@H]([NH2+][C@H](C)C(=O)NC(=O)NC(C)(C)C)c1ccc(F)cc1F ZINC000161032756 455526114 /nfs/dbraw/zinc/52/61/14/455526114.db2.gz VIXVDMNDIZRHRA-YGRLFVJLSA-N 1 0 341.402 3.018 20 70 EGIDRO CC(C)c1ccc(C(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)cn1 ZINC000161098973 455532914 /nfs/dbraw/zinc/53/29/14/455532914.db2.gz XJFKIMQASDFAMS-GOSISDBHSA-N 1 0 325.456 3.108 20 70 EGIDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000161110635 455535089 /nfs/dbraw/zinc/53/50/89/455535089.db2.gz SPURHDWPZOQUFI-HUUCEWRRSA-N 1 0 337.261 3.114 20 70 EGIDRO CCc1nc2c(s1)[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000161196407 455546578 /nfs/dbraw/zinc/54/65/78/455546578.db2.gz NZMPXSGAPODAHU-HIFRSBDPSA-N 1 0 343.496 3.377 20 70 EGIDRO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161232548 455550627 /nfs/dbraw/zinc/55/06/27/455550627.db2.gz GSOPOUOGPKKLBO-GJZGRUSLSA-N 1 0 340.471 3.170 20 70 EGIDRO CC[C@H](C)c1cc(C(=O)N[C@@H](Cc2ccccc2)C[NH+](C)C)on1 ZINC000161278613 455555950 /nfs/dbraw/zinc/55/59/50/455555950.db2.gz GCRFDPZLSJRUGI-HOCLYGCPSA-N 1 0 329.444 3.091 20 70 EGIDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(F)c(F)c(F)c2)c1 ZINC000161323404 455559084 /nfs/dbraw/zinc/55/90/84/455559084.db2.gz XFBQDPRKLQPJSA-MGPLVRAMSA-N 1 0 325.330 3.497 20 70 EGIDRO Cc1c(C(=O)Nc2ccc(CC[NH+](C)C)cc2)cnn1CC(C)C ZINC000161336142 455560041 /nfs/dbraw/zinc/56/00/41/455560041.db2.gz IIYIRJFSNOSUQM-UHFFFAOYSA-N 1 0 328.460 3.204 20 70 EGIDRO CCc1ccccc1C(=O)NC[C@H](c1cccc(OC)c1)[NH+](C)C ZINC000161353507 455561923 /nfs/dbraw/zinc/56/19/23/455561923.db2.gz CRNMAJBVXPHTMR-LJQANCHMSA-N 1 0 326.440 3.290 20 70 EGIDRO CO[C@H](C(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccccc1 ZINC000161359047 455563220 /nfs/dbraw/zinc/56/32/20/455563220.db2.gz NGVDNZPCSXFRHS-UXHICEINSA-N 1 0 338.451 3.327 20 70 EGIDRO C[C@H](CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000161399770 455566527 /nfs/dbraw/zinc/56/65/27/455566527.db2.gz XACDNRQJPZYLAJ-RRFJBIMHSA-N 1 0 338.879 3.249 20 70 EGIDRO CCC[N@@H+](Cc1ccc(COC)o1)C[C@@H]1COc2ccccc2O1 ZINC000161411101 455568175 /nfs/dbraw/zinc/56/81/75/455568175.db2.gz JAAIWZOHFUXIOJ-QGZVFWFLSA-N 1 0 331.412 3.478 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCC[C@H](C3CC3)C2)c1 ZINC000161474244 455574013 /nfs/dbraw/zinc/57/40/13/455574013.db2.gz LBASWDJTXJIJIJ-XOKHGSTOSA-N 1 0 336.501 3.214 20 70 EGIDRO CC[NH+]1CCC(n2nccc2NC(=O)c2cnc(C(C)C)s2)CC1 ZINC000161473290 455574067 /nfs/dbraw/zinc/57/40/67/455574067.db2.gz GBEANXOERORWTL-UHFFFAOYSA-N 1 0 347.488 3.372 20 70 EGIDRO C[N@H+](CC(=O)N1C[C@H](c2ccccc2)C(C)(C)C1)[C@@H]1CCSC1 ZINC000161492807 455575559 /nfs/dbraw/zinc/57/55/59/455575559.db2.gz RIWBCYSBMAWENE-IAGOWNOFSA-N 1 0 332.513 3.076 20 70 EGIDRO CC(=O)NC1CCC([NH2+]C[C@@H](O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000161509705 455576083 /nfs/dbraw/zinc/57/60/83/455576083.db2.gz UIORZXRKFZDTJF-CTWPCTMYSA-N 1 0 332.488 3.054 20 70 EGIDRO C[C@]1(C(=O)Nc2ncc(Cc3ccccc3F)s2)CCC[NH2+]C1 ZINC000161360388 534169340 /nfs/dbraw/zinc/16/93/40/534169340.db2.gz AKTDHJCHTWLQRG-KRWDZBQOSA-N 1 0 333.432 3.201 20 70 EGIDRO C[C@@H](Cc1ccccc1Cl)C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000160089299 534249822 /nfs/dbraw/zinc/24/98/22/534249822.db2.gz OYIABCKXJMISRF-LESCRADOSA-N 1 0 334.891 3.461 20 70 EGIDRO O=C([C@@H]1C[C@@H]1c1cccc(F)c1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159883343 534604239 /nfs/dbraw/zinc/60/42/39/534604239.db2.gz RSQUSVCXAWHZCW-HZPDHXFCSA-N 1 0 334.410 3.059 20 70 EGIDRO CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000160048839 529175344 /nfs/dbraw/zinc/17/53/44/529175344.db2.gz OGJKZOGOUHZOMC-TUAOUCFPSA-N 1 0 327.266 3.403 20 70 EGIDRO C[C@@H](CC(=O)Nc1ccccc1CN1CCOCC1)c1ccncc1 ZINC000160166033 546944510 /nfs/dbraw/zinc/94/45/10/546944510.db2.gz UEJNQIXPIIFNLL-INIZCTEOSA-N 1 0 339.439 3.046 20 70 EGIDRO CC[C@H]([NH2+][C@@H](C)C(=O)NC(=O)NCC(C)C)c1ccc(Cl)cc1 ZINC000218038863 547240278 /nfs/dbraw/zinc/24/02/78/547240278.db2.gz NNHFFHZXAUZBMY-WFASDCNBSA-N 1 0 339.867 3.251 20 70 EGIDRO CC[C@H](C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1)[NH+](C)C ZINC000159804613 529621839 /nfs/dbraw/zinc/62/18/39/529621839.db2.gz QXUCLEMTTZFFDU-MRXNPFEDSA-N 1 0 329.400 3.161 20 70 EGIDRO C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1)c1cscn1 ZINC000218239303 241309000 /nfs/dbraw/zinc/30/90/00/241309000.db2.gz JEQAYTBICYKVEJ-OLZOCXBDSA-N 1 0 325.478 3.441 20 70 EGIDRO O=C(c1ccccc1Cl)N1CCC([NH2+][C@@H]2CCCSC2)CC1 ZINC000159519659 225233251 /nfs/dbraw/zinc/23/32/51/225233251.db2.gz WTEVLELTXCYWSW-CQSZACIVSA-N 1 0 338.904 3.430 20 70 EGIDRO COc1cc([C@H](C)[NH2+][C@H](C)CC(=O)N(C)C)ccc1OCC(C)C ZINC000160019268 225322023 /nfs/dbraw/zinc/32/20/23/225322023.db2.gz LVAOMPNTIMMAJY-CABCVRRESA-N 1 0 336.476 3.247 20 70 EGIDRO COCC[NH+]1CCC(NC(=O)N[C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000159731280 225268103 /nfs/dbraw/zinc/26/81/03/225268103.db2.gz SQTFQIVBIHQORR-DNVCBOLYSA-N 1 0 345.487 3.035 20 70 EGIDRO Cc1ccc(C(=O)CCN2CCN([C@@H](C)c3cccnc3)CC2)cc1 ZINC000159800644 225280555 /nfs/dbraw/zinc/28/05/55/225280555.db2.gz DBRDWZDQISTRLH-SFHVURJKSA-N 1 0 337.467 3.342 20 70 EGIDRO C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)c2cccc(=O)n2C)cc1 ZINC000159917078 225302047 /nfs/dbraw/zinc/30/20/47/225302047.db2.gz ULWWZQDRZDPCGG-HNNXBMFYSA-N 1 0 339.439 3.012 20 70 EGIDRO O=C(NCC[NH2+]C1CCCCCC1)c1occc1Br ZINC000159680642 225260106 /nfs/dbraw/zinc/26/01/06/225260106.db2.gz VQEHKRTYJJYGFI-UHFFFAOYSA-N 1 0 329.238 3.084 20 70 EGIDRO O=C(N[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1c(F)cc(F)cc1F ZINC000160297791 225382679 /nfs/dbraw/zinc/38/26/79/225382679.db2.gz VCMVASGXZVZYTC-HNNXBMFYSA-N 1 0 348.368 3.498 20 70 EGIDRO [NH3+]C1(CNC(=O)CCc2cc(Br)cs2)CCCCC1 ZINC000159765806 264864171 /nfs/dbraw/zinc/86/41/71/264864171.db2.gz UUGBFTMHBWPOGS-UHFFFAOYSA-N 1 0 345.306 3.221 20 70 EGIDRO COc1ccccc1[C@@H]1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000160378281 264874127 /nfs/dbraw/zinc/87/41/27/264874127.db2.gz FFRPYEZEECRABK-GVDBMIGSSA-N 1 0 330.472 3.037 20 70 EGIDRO CCCCn1ncc(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C ZINC000160992661 264888246 /nfs/dbraw/zinc/88/82/46/264888246.db2.gz NDPVIRBTAUXVPU-OAHLLOKOSA-N 1 0 334.489 3.086 20 70 EGIDRO O[C@H](Cc1ccccc1)C[NH+]1CCN(c2ccccc2Cl)CC1 ZINC000218679728 266194844 /nfs/dbraw/zinc/19/48/44/266194844.db2.gz CZWLHKBWRFGPGZ-QGZVFWFLSA-N 1 0 330.859 3.066 20 70 EGIDRO C[C@@H](CNC(=O)[C@@H](C)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000161309721 274223314 /nfs/dbraw/zinc/22/33/14/274223314.db2.gz DNSOTWZEZLKDGQ-RYUDHWBXSA-N 1 0 339.277 3.152 20 70 EGIDRO CC(C)[N@@H+]1CCC[C@H](CNC(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160790728 275195974 /nfs/dbraw/zinc/19/59/74/275195974.db2.gz LCVULLJWJCGXNX-LJQANCHMSA-N 1 0 343.515 3.429 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1cc(-c2ccco2)nc2ccccc21 ZINC000161327248 277284849 /nfs/dbraw/zinc/28/48/49/277284849.db2.gz TXKYDXXWXMFTPB-CQSZACIVSA-N 1 0 335.407 3.319 20 70 EGIDRO COc1cc(C[NH2+]Cc2cn(C)nc2C)ccc1OC1CCCC1 ZINC000160177188 307886002 /nfs/dbraw/zinc/88/60/02/307886002.db2.gz BARDWYYZDHZWOC-UHFFFAOYSA-N 1 0 329.444 3.348 20 70 EGIDRO CCc1ncnc(N(CC[NH+](CC)CC)CCC(F)(F)F)c1F ZINC000160817745 307895008 /nfs/dbraw/zinc/89/50/08/307895008.db2.gz HNZFYRSLRVGDAA-UHFFFAOYSA-N 1 0 336.377 3.279 20 70 EGIDRO Cc1c(C(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cnn1CC(C)C ZINC000161018751 307897611 /nfs/dbraw/zinc/89/76/11/307897611.db2.gz JJABVLCVRMHZBV-DNVCBOLYSA-N 1 0 334.508 3.088 20 70 EGIDRO C[C@@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(-n2ccnc2)cc1 ZINC000161136979 307898919 /nfs/dbraw/zinc/89/89/19/307898919.db2.gz VLRGDCHKSUVQOA-OAHLLOKOSA-N 1 0 335.407 3.494 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)NCCCOC2CCCC2)CC1 ZINC000161322104 307901577 /nfs/dbraw/zinc/90/15/77/307901577.db2.gz MBNHJEUJKXSCIQ-UHFFFAOYSA-N 1 0 339.524 3.099 20 70 EGIDRO CC[C@H](CC(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000159378162 455373786 /nfs/dbraw/zinc/37/37/86/455373786.db2.gz BEYKRISEBOPBRE-IAGOWNOFSA-N 1 0 332.488 3.427 20 70 EGIDRO C[C@H](CCNC(=O)NC1C[C@@H](C)O[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000159629145 455390705 /nfs/dbraw/zinc/39/07/05/455390705.db2.gz JNGBCTJXANPHAU-BRWVUGGUSA-N 1 0 347.503 3.152 20 70 EGIDRO C[C@@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)CC[C@@H]1[NH3+] ZINC000159654095 455393649 /nfs/dbraw/zinc/39/36/49/455393649.db2.gz QGOCNDOSMDHMNK-BZNIZROVSA-N 1 0 347.256 3.412 20 70 EGIDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000159656382 455393783 /nfs/dbraw/zinc/39/37/83/455393783.db2.gz RDIRNSAQIBILGC-NSHDSACASA-N 1 0 335.245 3.188 20 70 EGIDRO Cc1noc(C)c1[C@@H](C)NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000159945258 455417768 /nfs/dbraw/zinc/41/77/68/455417768.db2.gz UQZZEPJTELGQKX-CJNGLKHVSA-N 1 0 334.464 3.012 20 70 EGIDRO C[C@@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000159962414 455419437 /nfs/dbraw/zinc/41/94/37/455419437.db2.gz RBXLPTOMVATNBL-MRXNPFEDSA-N 1 0 347.503 3.011 20 70 EGIDRO CO[C@@]1(C[NH2+][C@H](C)c2ccc(Br)cc2F)CCOC1 ZINC000160099762 455428053 /nfs/dbraw/zinc/42/80/53/455428053.db2.gz NDOURGIMXJTTGG-QMTHXVAHSA-N 1 0 332.213 3.044 20 70 EGIDRO COc1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cc1 ZINC000160138526 455432182 /nfs/dbraw/zinc/43/21/82/455432182.db2.gz GYTYLEVVPVJOPS-UHFFFAOYSA-N 1 0 327.428 3.175 20 70 EGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160550506 455473197 /nfs/dbraw/zinc/47/31/97/455473197.db2.gz NFWUYIMTACWYBP-QGZVFWFLSA-N 1 0 346.519 3.199 20 70 EGIDRO C[C@H]([NH2+]C[C@H]1CCCC[C@@H]1O)c1ccc(OCc2nccn2C)cc1 ZINC000160511856 455468062 /nfs/dbraw/zinc/46/80/62/455468062.db2.gz RCGXSROEHMUURL-WDYCEAGBSA-N 1 0 343.471 3.201 20 70 EGIDRO CCCCCc1ccc(C(=O)CCC(=O)N2CC[C@H]([NH2+]C)C2)cc1 ZINC000160708209 455489540 /nfs/dbraw/zinc/48/95/40/455489540.db2.gz DNFCKPCRTLKPIG-SFHVURJKSA-N 1 0 330.472 3.203 20 70 EGIDRO Cc1ccc(-c2nnc([C@H](C)N3CC[NH+](C(C)C)CC3)o2)cc1C ZINC000160771733 455496788 /nfs/dbraw/zinc/49/67/88/455496788.db2.gz YGISFRMDYRQQNM-INIZCTEOSA-N 1 0 328.460 3.440 20 70 EGIDRO C[N@@H+](Cc1nn(-c2ccc(F)cc2)c2c1CCC2)C[C@H]1CCC[C@@H]1O ZINC000159469849 455378971 /nfs/dbraw/zinc/37/89/71/455378971.db2.gz KJHIRSMXCUAZEM-VLIAUNLRSA-N 1 0 343.446 3.093 20 70 EGIDRO C[C@@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1(C)CC1 ZINC000159818943 455406598 /nfs/dbraw/zinc/40/65/98/455406598.db2.gz DPZPJIAFBGMRSX-OAHLLOKOSA-N 1 0 336.501 3.139 20 70 EGIDRO CC(C)(C)NC(=O)C[NH2+]C1CC(c2cccc(Br)c2)C1 ZINC000159851889 455410346 /nfs/dbraw/zinc/41/03/46/455410346.db2.gz UAFNMWMKFHTQCW-UHFFFAOYSA-N 1 0 339.277 3.199 20 70 EGIDRO CCCCn1ncc(NC(=O)NCC(C)(C)[NH+]2CCCCC2)c1C ZINC000159997090 455421707 /nfs/dbraw/zinc/42/17/07/455421707.db2.gz KKYRBCRNFQQIAZ-UHFFFAOYSA-N 1 0 335.496 3.378 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000160412805 455455701 /nfs/dbraw/zinc/45/57/01/455455701.db2.gz UWUIDXCCKWOSHP-MRXNPFEDSA-N 1 0 335.496 3.267 20 70 EGIDRO COCC[N@H+](Cc1ccccc1)Cc1cc(OC)c(OC)c(OC)c1 ZINC000160449883 455459771 /nfs/dbraw/zinc/45/97/71/455459771.db2.gz WXPVNRXKVPNVPF-UHFFFAOYSA-N 1 0 345.439 3.361 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H](C)Oc1ccccc1C(F)(F)F ZINC000160497187 455466363 /nfs/dbraw/zinc/46/63/63/455466363.db2.gz DHTSXKUNRHDRTB-LLVKDONJSA-N 1 0 332.366 3.106 20 70 EGIDRO C[C@@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+][C@H]1CC[C@@H](CO)CC1 ZINC000160592696 455478180 /nfs/dbraw/zinc/47/81/80/455478180.db2.gz WFGRYWSSZNJBDE-QAETUUGQSA-N 1 0 340.508 3.305 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000160646256 455483993 /nfs/dbraw/zinc/48/39/93/455483993.db2.gz KJITTXSUUARFKG-GOSISDBHSA-N 1 0 328.460 3.277 20 70 EGIDRO CC[C@@H]([NH2+]CCNC(=O)c1cccc(OC)c1)c1ccc(F)cc1 ZINC000160712911 455491019 /nfs/dbraw/zinc/49/10/19/455491019.db2.gz YKGMQAVPARFGJY-GOSISDBHSA-N 1 0 330.403 3.305 20 70 EGIDRO CCCOc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1OCCC ZINC000160916829 455512955 /nfs/dbraw/zinc/51/29/55/455512955.db2.gz UIEHNPBLMUVMPT-JKSUJKDBSA-N 1 0 334.460 3.264 20 70 EGIDRO C[C@@H]1CN(C(=O)c2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C[C@H](C)O1 ZINC000160929622 455514792 /nfs/dbraw/zinc/51/47/92/455514792.db2.gz QEQLQFTYAGXPIT-GASCZTMLSA-N 1 0 342.483 3.214 20 70 EGIDRO Cc1nc2ccccn2c1C[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000160972914 455519176 /nfs/dbraw/zinc/51/91/76/455519176.db2.gz ZNZVBRKZNSDJBP-HNNXBMFYSA-N 1 0 344.459 3.084 20 70 EGIDRO Cc1noc(C)c1[C@H](C)CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000160995311 455521473 /nfs/dbraw/zinc/52/14/73/455521473.db2.gz WFPMOEZRAWMWBU-QBIMZIAESA-N 1 0 345.487 3.260 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](CC)c2cnn(C)c2)c1 ZINC000161049552 455527443 /nfs/dbraw/zinc/52/74/43/455527443.db2.gz XJSMKSAXNNRUGI-KDOFPFPSSA-N 1 0 328.460 3.189 20 70 EGIDRO COc1cccc(-c2ccc(CNC(=O)[C@@H]([NH3+])CC(C)C)cc2)c1 ZINC000161081312 455531083 /nfs/dbraw/zinc/53/10/83/455531083.db2.gz VPEJMSOFTDUQCQ-IBGZPJMESA-N 1 0 326.440 3.352 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2cc(C)n(-c3nccs3)c2C)CC1 ZINC000161100812 455534269 /nfs/dbraw/zinc/53/42/69/455534269.db2.gz KPYQODHTNHWGDB-UHFFFAOYSA-N 1 0 346.500 3.012 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2occc2COc2ccccc2)CC1 ZINC000161113860 455534773 /nfs/dbraw/zinc/53/47/73/455534773.db2.gz XQRRDOQDUZGSSG-UHFFFAOYSA-N 1 0 342.439 3.320 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)[C@H](CC)Oc2ccccc2Cl)CC1 ZINC000161111958 455535026 /nfs/dbraw/zinc/53/50/26/455535026.db2.gz TZLRKQOOTSMORK-INIZCTEOSA-N 1 0 338.879 3.346 20 70 EGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161145230 455540154 /nfs/dbraw/zinc/54/01/54/455540154.db2.gz NKVIBFFCUCHOMY-VBKZILBWSA-N 1 0 346.471 3.146 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+]CCCc2nnc3n2CCCCC3)cc1F ZINC000161146867 455540411 /nfs/dbraw/zinc/54/04/11/455540411.db2.gz AHXXMJQNNIRQQN-CQSZACIVSA-N 1 0 346.450 3.436 20 70 EGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000161175839 455543934 /nfs/dbraw/zinc/54/39/34/455543934.db2.gz JAIQBGRAWIUJTD-HOCLYGCPSA-N 1 0 336.476 3.237 20 70 EGIDRO Cc1noc(C)c1[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000161201541 455547788 /nfs/dbraw/zinc/54/77/88/455547788.db2.gz AMROCIFIYXQMQO-YOEHRIQHSA-N 1 0 335.492 3.412 20 70 EGIDRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H]2CCOC(C)(C)C2)cc1 ZINC000161217267 455549118 /nfs/dbraw/zinc/54/91/18/455549118.db2.gz AUENMHUNSBCTNN-SFHVURJKSA-N 1 0 347.503 3.285 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCc2csc(-c3ccccc3)n2)CC1 ZINC000161232771 455550100 /nfs/dbraw/zinc/55/01/00/455550100.db2.gz KJKXZHLPGSVGCB-UHFFFAOYSA-N 1 0 343.496 3.390 20 70 EGIDRO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000161232748 455550183 /nfs/dbraw/zinc/55/01/83/455550183.db2.gz GSOPOUOGPKKLBO-CABCVRRESA-N 1 0 340.471 3.170 20 70 EGIDRO CN(CCCc1cc(-c2ccccc2)n[nH]1)Cc1nc(C2CC2)no1 ZINC000161232904 455550208 /nfs/dbraw/zinc/55/02/08/455550208.db2.gz LPCURFQTEFQKFV-UHFFFAOYSA-N 1 0 337.427 3.402 20 70 EGIDRO COC(=O)[C@H](C)[C@@H]([NH2+]Cc1c(C)nc2ccccn21)c1ccccc1 ZINC000161289432 455555882 /nfs/dbraw/zinc/55/58/82/455555882.db2.gz LIFAXLHMJSZKKQ-AUUYWEPGSA-N 1 0 337.423 3.283 20 70 EGIDRO COc1ccc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc1N ZINC000161309936 455558058 /nfs/dbraw/zinc/55/80/58/455558058.db2.gz DANGNTUUJYNVHX-UHFFFAOYSA-N 1 0 325.412 3.126 20 70 EGIDRO O=S1(=O)CC[C@@H]([NH2+][C@H](CCc2ccccc2)Cc2ccccc2)C1 ZINC000161352280 455561751 /nfs/dbraw/zinc/56/17/51/455561751.db2.gz GUPZFOQPZTZGML-WOJBJXKFSA-N 1 0 343.492 3.007 20 70 EGIDRO CCN(CC1CC1)C(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000161357274 455561861 /nfs/dbraw/zinc/56/18/61/455561861.db2.gz PHUADRGNSDTLGO-OAHLLOKOSA-N 1 0 330.476 3.049 20 70 EGIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](CC)C[C@@H](C)CC)nc(N)c21 ZINC000161407540 455568186 /nfs/dbraw/zinc/56/81/86/455568186.db2.gz YERHUHPORJGYQC-NSHDSACASA-N 1 0 348.447 3.158 20 70 EGIDRO Cc1nc2ccccn2c1C[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000161439090 455570197 /nfs/dbraw/zinc/57/01/97/455570197.db2.gz IGYJVFYGFDYNDB-LJQANCHMSA-N 1 0 335.451 3.476 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCc2ccc(OCC(C)C)cc2)CC1 ZINC000161471300 455573120 /nfs/dbraw/zinc/57/31/20/455573120.db2.gz GUZQSDPCGKAHSU-UHFFFAOYSA-N 1 0 332.488 3.301 20 70 EGIDRO CC1CC[NH+](C2CCC(NC(=O)c3cc(Cl)cn3C)CC2)CC1 ZINC000161500648 455575199 /nfs/dbraw/zinc/57/51/99/455575199.db2.gz BSNAZFGXJYUVNH-UHFFFAOYSA-N 1 0 337.895 3.451 20 70 EGIDRO CC1CCC([NH+]2CCN(CC(=O)N(C)[C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000217213901 456031378 /nfs/dbraw/zinc/03/13/78/456031378.db2.gz XGGUPDBTNSHNNF-CQJJOKNBSA-N 1 0 349.563 3.220 20 70 EGIDRO CC1CC[NH+](CCNC(=O)NCC2(Sc3ccccc3)CC2)CC1 ZINC000217074139 456031452 /nfs/dbraw/zinc/03/14/52/456031452.db2.gz UNIHNVPAULNTOF-UHFFFAOYSA-N 1 0 347.528 3.342 20 70 EGIDRO CC[NH+](CC)CCCNC(=O)Nc1ccc(Br)cc1 ZINC000217273460 456032296 /nfs/dbraw/zinc/03/22/96/456032296.db2.gz PFMKURPARUFGSY-UHFFFAOYSA-N 1 0 328.254 3.303 20 70 EGIDRO Fc1ccc(CN[C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1Br ZINC000217673401 456034069 /nfs/dbraw/zinc/03/40/69/456034069.db2.gz UMAVVVVFESXDJY-CABCVRRESA-N 1 0 327.241 3.305 20 70 EGIDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1ccc(F)c(F)c1 ZINC000160543199 533864636 /nfs/dbraw/zinc/86/46/36/533864636.db2.gz LLWMHLDQOHAIEA-NSHDSACASA-N 1 0 343.370 3.228 20 70 EGIDRO [NH3+]C1(CNC(=O)c2cccc(OCc3cccnc3)c2)CCCCC1 ZINC000159519212 534547311 /nfs/dbraw/zinc/54/73/11/534547311.db2.gz HZGMURLQIJQJMK-UHFFFAOYSA-N 1 0 339.439 3.052 20 70 EGIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(-c2cc(F)c(F)c(F)c2)cc1 ZINC000160395729 534684238 /nfs/dbraw/zinc/68/42/38/534684238.db2.gz MUJXFSOJUWUONH-AWEZNQCLSA-N 1 0 334.341 3.334 20 70 EGIDRO O=C(Cc1cccc(C(F)(F)F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159848390 534718269 /nfs/dbraw/zinc/71/82/69/534718269.db2.gz LADWAOXVWLUHGH-UHFFFAOYSA-N 1 0 340.389 3.239 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N(C)Cc1cc(Br)ccc1F ZINC000161205955 528649498 /nfs/dbraw/zinc/64/94/98/528649498.db2.gz RVMWCMXNHPIIGI-UHFFFAOYSA-N 1 0 345.256 3.312 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCOCc2ccccc2)cc1 ZINC000159769525 546941764 /nfs/dbraw/zinc/94/17/64/546941764.db2.gz YPOOAJSVSNKKHT-MRXNPFEDSA-N 1 0 347.480 3.348 20 70 EGIDRO C[C@@H](Cc1cccc(Cl)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160287676 546946082 /nfs/dbraw/zinc/94/60/82/546946082.db2.gz UWKMAOSYKPTQNJ-HNNXBMFYSA-N 1 0 343.858 3.262 20 70 EGIDRO CCN(C(=O)N[C@@H](C)C1CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160973478 546952290 /nfs/dbraw/zinc/95/22/90/546952290.db2.gz NOQIWHWMXQLXOA-QFBILLFUSA-N 1 0 329.488 3.481 20 70 EGIDRO CC[NH+](CC)[C@@H](CNC(=O)c1cc(C)ncn1)c1ccccc1Cl ZINC000161406656 546955509 /nfs/dbraw/zinc/95/55/09/546955509.db2.gz KQKBVPSHSDLSEZ-KRWDZBQOSA-N 1 0 346.862 3.251 20 70 EGIDRO Cc1ccc(-c2[nH]nc(NC(=O)[C@H](C)[NH+]3CCCCCC3)c2C)o1 ZINC000161450433 546955752 /nfs/dbraw/zinc/95/57/52/546955752.db2.gz UVOHIHBMWOVOFM-AWEZNQCLSA-N 1 0 330.432 3.490 20 70 EGIDRO COc1cc([C@@H](C)[NH2+][C@@H](C)CC(=O)N(C)C)ccc1OCC(C)C ZINC000160018920 533119257 /nfs/dbraw/zinc/11/92/57/533119257.db2.gz LVAOMPNTIMMAJY-LSDHHAIUSA-N 1 0 336.476 3.247 20 70 EGIDRO C[C@@H](C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000159435406 533301444 /nfs/dbraw/zinc/30/14/44/533301444.db2.gz XOAGEQUPSJHGBZ-VYDRJQSISA-N 1 0 330.472 3.284 20 70 EGIDRO C[C@@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cccnc1Cl ZINC000160448685 533459565 /nfs/dbraw/zinc/45/95/65/533459565.db2.gz YOMHEXXCPAPKBS-OAHLLOKOSA-N 1 0 345.874 3.418 20 70 EGIDRO Cc1cc(OCCCC(=O)N2CC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000159386784 225207964 /nfs/dbraw/zinc/20/79/64/225207964.db2.gz MMSKJHRGENGRIY-GOSISDBHSA-N 1 0 336.863 3.019 20 70 EGIDRO Cc1cc(NC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000159565100 225241363 /nfs/dbraw/zinc/24/13/63/225241363.db2.gz CSXSIJKNYNAPFN-VXGBXAGGSA-N 1 0 330.350 3.392 20 70 EGIDRO COc1cc([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1OC(F)F ZINC000160504438 264876044 /nfs/dbraw/zinc/87/60/44/264876044.db2.gz SRXKJOSXXUTTBB-BNOWGMLFSA-N 1 0 329.387 3.498 20 70 EGIDRO C[N@@H+](Cc1ccccc1Br)C[C@H](O)Cc1ccccc1 ZINC000218684879 266194523 /nfs/dbraw/zinc/19/45/23/266194523.db2.gz GYJMECGLXCSDLE-MRXNPFEDSA-N 1 0 334.257 3.485 20 70 EGIDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160777010 275196029 /nfs/dbraw/zinc/19/60/29/275196029.db2.gz STASHBZJUGDSPY-ZWKOTPCHSA-N 1 0 329.488 3.181 20 70 EGIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160815569 275196115 /nfs/dbraw/zinc/19/61/15/275196115.db2.gz HRTIMWZREWOOST-IBGZPJMESA-N 1 0 343.515 3.383 20 70 EGIDRO Cc1csc(C(C)(C)NC(=O)N[C@@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000160911277 279040074 /nfs/dbraw/zinc/04/00/74/279040074.db2.gz QFKLWJKCDSDGQX-CYBMUJFWSA-N 1 0 336.505 3.003 20 70 EGIDRO Cc1ccc(CCN(CC(F)(F)F)C(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000161250214 280806259 /nfs/dbraw/zinc/80/62/59/280806259.db2.gz CVAGEZOISKGPQX-OAHLLOKOSA-N 1 0 328.378 3.071 20 70 EGIDRO C[NH+](C)Cc1ccc(CNC(=O)COC/C=C/c2ccccc2)cc1 ZINC000159560938 307875542 /nfs/dbraw/zinc/87/55/42/307875542.db2.gz IJFPDYUSWBOAIM-RMKNXTFCSA-N 1 0 338.451 3.094 20 70 EGIDRO CCCCn1ncc(NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)c1C ZINC000159955125 307882622 /nfs/dbraw/zinc/88/26/22/307882622.db2.gz UDXUCRCZHWDEBZ-INIZCTEOSA-N 1 0 337.512 3.480 20 70 EGIDRO CCOc1ccc(Cl)cc1CC[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000160007925 307883262 /nfs/dbraw/zinc/88/32/62/307883262.db2.gz OUWIZLHDSMIING-KRWDZBQOSA-N 1 0 332.831 3.097 20 70 EGIDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H](C)C1CCOCC1 ZINC000161267216 307901077 /nfs/dbraw/zinc/90/10/77/307901077.db2.gz MCNWTUBONJIWCT-ZBFHGGJFSA-N 1 0 328.497 3.331 20 70 EGIDRO C[C@@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)[NH+]1CCC(C)CC1 ZINC000161406840 307902476 /nfs/dbraw/zinc/90/24/76/307902476.db2.gz MRMFGCUBHJWGPL-AWEZNQCLSA-N 1 0 331.435 3.086 20 70 EGIDRO C[C@@H](CCn1cccn1)Nc1ccc(OCC[NH+](C)C)c(Cl)c1 ZINC000159428457 533698223 /nfs/dbraw/zinc/69/82/23/533698223.db2.gz HMYZOVRDPWLJHA-AWEZNQCLSA-N 1 0 336.867 3.368 20 70 EGIDRO CCc1ccc([C@H](CO)NC(=O)NCCC[NH+](C(C)C)C(C)C)cc1 ZINC000159385746 455373457 /nfs/dbraw/zinc/37/34/57/455373457.db2.gz FITCQKVKOPXOJT-IBGZPJMESA-N 1 0 349.519 3.091 20 70 EGIDRO CCCOc1ccc(CNC(=O)[C@@H](CC)[NH+](C)C)c(OC(F)F)c1 ZINC000159380203 455373659 /nfs/dbraw/zinc/37/36/59/455373659.db2.gz MFPOSBFUOWYDIB-CQSZACIVSA-N 1 0 344.402 3.033 20 70 EGIDRO Cc1cccc(OC[C@H](O)C[N@@H+]2CCC[C@@H]2c2cccc(C)n2)c1 ZINC000159748301 455400092 /nfs/dbraw/zinc/40/00/92/455400092.db2.gz YYGCHIZNKIAMNL-YLJYHZDGSA-N 1 0 326.440 3.275 20 70 EGIDRO C[C@@H](C(=O)NCc1ccccc1F)[N@H+](C)Cc1cccc(N(C)C)c1 ZINC000159766548 455401830 /nfs/dbraw/zinc/40/18/30/455401830.db2.gz OMAPVSSVANCATD-HNNXBMFYSA-N 1 0 343.446 3.028 20 70 EGIDRO CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cnn(CC(C)C)c1C ZINC000160340013 455449647 /nfs/dbraw/zinc/44/96/47/455449647.db2.gz FECMLXBMVILJKB-QGZVFWFLSA-N 1 0 334.508 3.232 20 70 EGIDRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000160378522 455452933 /nfs/dbraw/zinc/45/29/33/455452933.db2.gz LTWLUMJHAWEFAN-KYJSFNMBSA-N 1 0 334.891 3.461 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@H]1c1ccccc1OC(F)(F)F ZINC000160423514 455457396 /nfs/dbraw/zinc/45/73/96/455457396.db2.gz CBGUENWLBVDABD-STQMWFEESA-N 1 0 344.377 3.322 20 70 EGIDRO C[N@H+](CCc1ccncc1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160655125 455484787 /nfs/dbraw/zinc/48/47/87/455484787.db2.gz TXNXJJCUZGIANB-JWTNVVGKSA-N 1 0 345.487 3.486 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2cc(C3CC3)nc3ccc(Cl)cc32)C1 ZINC000160685038 455487916 /nfs/dbraw/zinc/48/79/16/455487916.db2.gz MWGNROISTGDDSH-ZDUSSCGKSA-N 1 0 329.831 3.200 20 70 EGIDRO CN(CCCNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1F ZINC000160760891 455496178 /nfs/dbraw/zinc/49/61/78/455496178.db2.gz RCTGNSVQBRDCLT-UHFFFAOYSA-N 1 0 343.446 3.144 20 70 EGIDRO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000160771192 455497297 /nfs/dbraw/zinc/49/72/97/455497297.db2.gz SRUSQXQRADKHLL-LESCRADOSA-N 1 0 334.891 3.461 20 70 EGIDRO C[C@@H](CNC(=O)N1CCC2(CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000160845531 455504552 /nfs/dbraw/zinc/50/45/52/455504552.db2.gz XMDQKXYRZTYLSF-INIZCTEOSA-N 1 0 327.472 3.019 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc2cc(Br)ccc2c1 ZINC000159658360 455393540 /nfs/dbraw/zinc/39/35/40/455393540.db2.gz ZDHHHEHWBPWKBA-MRXNPFEDSA-N 1 0 347.256 3.426 20 70 EGIDRO CCC(CC)(C[NH2+]CC(=O)Nc1cccc(Cl)c1C)C(=O)OC ZINC000159685561 455395456 /nfs/dbraw/zinc/39/54/56/455395456.db2.gz NSCGHSRAUNBPGY-UHFFFAOYSA-N 1 0 340.851 3.156 20 70 EGIDRO C[NH+]1CCC(CNC(=O)CCc2cc(Cl)cc(Cl)c2)CC1 ZINC000159914464 455415414 /nfs/dbraw/zinc/41/54/14/455415414.db2.gz SIODGUIGJWPFTD-UHFFFAOYSA-N 1 0 329.271 3.384 20 70 EGIDRO CN(Cc1cccn1C)C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000159928109 455416626 /nfs/dbraw/zinc/41/66/26/455416626.db2.gz CLBSRCZFRORPIS-SFHVURJKSA-N 1 0 346.519 3.211 20 70 EGIDRO CS[C@@H]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000160273239 455444243 /nfs/dbraw/zinc/44/42/43/455444243.db2.gz OVOVTKUCNNYYKL-YESZJQIVSA-N 1 0 339.549 3.321 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000160287142 455444709 /nfs/dbraw/zinc/44/47/09/455444709.db2.gz BJBLFEASISFQBY-QGZVFWFLSA-N 1 0 349.523 3.481 20 70 EGIDRO C[N@H+](C[C@@H]1CCCCO1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160458121 455461011 /nfs/dbraw/zinc/46/10/11/455461011.db2.gz VMVACBQWMRPMSY-WFVVYAPDSA-N 1 0 338.492 3.418 20 70 EGIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1OC(F)F ZINC000160497198 455466750 /nfs/dbraw/zinc/46/67/50/455466750.db2.gz ZQBXWHHHJKRDBV-OCCSQVGLSA-N 1 0 336.386 3.244 20 70 EGIDRO CS[C@H](C)CC(=O)Nc1ccc(N(C)C2CC[NH+](C)CC2)cc1 ZINC000160519530 455468314 /nfs/dbraw/zinc/46/83/14/455468314.db2.gz CYFBSLKYWAWPNZ-CQSZACIVSA-N 1 0 335.517 3.297 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@@H]1C[C@@H]1c1ccccc1OC(F)F ZINC000160540536 455471556 /nfs/dbraw/zinc/47/15/56/455471556.db2.gz LNBYOMRKPBGFAO-CHWSQXEVSA-N 1 0 326.387 3.025 20 70 EGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000160633210 455482340 /nfs/dbraw/zinc/48/23/40/455482340.db2.gz RMIZSPZWEQPVMC-CQSZACIVSA-N 1 0 330.501 3.355 20 70 EGIDRO CC[C@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)OC(C)(C)C)[NH+](C)C ZINC000160639101 455482753 /nfs/dbraw/zinc/48/27/53/455482753.db2.gz YCVRQFHQYVQYFK-OAHLLOKOSA-N 1 0 347.459 3.263 20 70 EGIDRO [NH3+]C1(CC(=O)N[C@H](Cc2ccccc2)c2ccccc2F)CCC1 ZINC000160726601 455492289 /nfs/dbraw/zinc/49/22/89/455492289.db2.gz NIXIHPLPVVNMTP-GOSISDBHSA-N 1 0 326.415 3.497 20 70 EGIDRO CC[NH+](CC)CCCNC(=O)N[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000160872967 455507638 /nfs/dbraw/zinc/50/76/38/455507638.db2.gz XQJIQJVEBDJEBR-OAHLLOKOSA-N 1 0 344.459 3.434 20 70 EGIDRO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](CC4CC4)CC3)o2)cc1C ZINC000160925439 455514321 /nfs/dbraw/zinc/51/43/21/455514321.db2.gz CTYRUYQAMAVJKU-MRXNPFEDSA-N 1 0 340.471 3.442 20 70 EGIDRO Cc1ccsc1[C@H]1C[C@H]1C(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000160963085 455518475 /nfs/dbraw/zinc/51/84/75/455518475.db2.gz QROGPJYKPLPFRE-ZWKOTPCHSA-N 1 0 340.492 3.335 20 70 EGIDRO Cc1c([C@@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccc(F)cc1 ZINC000161083043 455530798 /nfs/dbraw/zinc/53/07/98/455530798.db2.gz CVJCQYRYCBBINH-SKDZVZGDSA-N 1 0 345.466 3.238 20 70 EGIDRO Cc1ccc2cc(C(=O)NC[C@@H]3CCC[N@@H+](C(C)C)C3)ccc2n1 ZINC000161079753 455531142 /nfs/dbraw/zinc/53/11/42/455531142.db2.gz DLFUWGFEZSUVIX-INIZCTEOSA-N 1 0 325.456 3.393 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2csc(-c3ccccc3)n2)CC1 ZINC000161134380 455538538 /nfs/dbraw/zinc/53/85/38/455538538.db2.gz GRBRECCXRAJVIL-UHFFFAOYSA-N 1 0 329.469 3.272 20 70 EGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161145347 455540061 /nfs/dbraw/zinc/54/00/61/455540061.db2.gz NKVIBFFCUCHOMY-VLIAUNLRSA-N 1 0 346.471 3.146 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)C[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000161176989 455544044 /nfs/dbraw/zinc/54/40/44/455544044.db2.gz RVRPYNYENSSAPB-IUODEOHRSA-N 1 0 328.378 3.409 20 70 EGIDRO CCn1cc([C@H](C)[NH2+][C@@H](C)c2ccc(OCCOC)c(OC)c2)cn1 ZINC000161192303 455546714 /nfs/dbraw/zinc/54/67/14/455546714.db2.gz XMAZIXBCJBCCNT-GJZGRUSLSA-N 1 0 347.459 3.349 20 70 EGIDRO Cc1ccc(C(=O)CC[N@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000161200958 455547885 /nfs/dbraw/zinc/54/78/85/455547885.db2.gz DJXFNIIQGNBJRY-QGZVFWFLSA-N 1 0 325.456 3.256 20 70 EGIDRO CCC[N@H+](CCO)Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000161214093 455548681 /nfs/dbraw/zinc/54/86/81/455548681.db2.gz VXXMOWHVVSPXEH-UHFFFAOYSA-N 1 0 336.439 3.139 20 70 EGIDRO Cc1nc2c(s1)[C@@H]([NH2+][C@H](C)C(=O)NCc1ccccc1)CCC2 ZINC000161207943 455548720 /nfs/dbraw/zinc/54/87/20/455548720.db2.gz IHUYNBLUSUTUTE-DOMZBBRYSA-N 1 0 329.469 3.123 20 70 EGIDRO Cn1cc(C[N@H+](C)Cc2cc(Br)cc3cccnc32)cn1 ZINC000161235411 455551429 /nfs/dbraw/zinc/55/14/29/455551429.db2.gz SRDSFISFLHFIDC-UHFFFAOYSA-N 1 0 345.244 3.363 20 70 EGIDRO COCCOc1ccc([C@H](C)[NH2+][C@H](C)C2CCOCC2)cc1OC ZINC000161255038 455553115 /nfs/dbraw/zinc/55/31/15/455553115.db2.gz QHJGOOHHLIRQPK-CABCVRRESA-N 1 0 337.460 3.186 20 70 EGIDRO CCC[C@@H]1CN(CCC(=O)c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000161326796 455559223 /nfs/dbraw/zinc/55/92/23/455559223.db2.gz BSWWVJPSHYQPDC-LJQANCHMSA-N 1 0 332.488 3.001 20 70 EGIDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000161333211 455559887 /nfs/dbraw/zinc/55/98/87/455559887.db2.gz RIKDIRKKUNPBPJ-HNNXBMFYSA-N 1 0 346.471 3.447 20 70 EGIDRO CC[C@H](C)C(=O)Nc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161332932 455560032 /nfs/dbraw/zinc/56/00/32/455560032.db2.gz QHRVAYYNFORXEU-NNGSBXSVSA-N 1 0 345.487 3.208 20 70 EGIDRO Cc1nccn1-c1ccc(C[NH2+]C2CCC3(CC2)OCCO3)cc1F ZINC000161362328 455563087 /nfs/dbraw/zinc/56/30/87/455563087.db2.gz MGKNHRIKLSIZHG-UHFFFAOYSA-N 1 0 345.418 3.095 20 70 EGIDRO CCOc1ccc(-c2nc(C(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000161421851 455568989 /nfs/dbraw/zinc/56/89/89/455568989.db2.gz HKPVZQDHYAVDCT-KGLIPLIRSA-N 1 0 345.468 3.209 20 70 EGIDRO CC(C)(C)c1nsc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)n1 ZINC000160012569 526907382 /nfs/dbraw/zinc/90/73/82/526907382.db2.gz HKMSBJYFVIWCCU-UONOGXRCSA-N 1 0 338.521 3.015 20 70 EGIDRO CC(C)Oc1ccc(C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000160074566 528163799 /nfs/dbraw/zinc/16/37/99/528163799.db2.gz DUHAOTKDTUCUOC-CQSZACIVSA-N 1 0 328.412 3.491 20 70 EGIDRO CC1CC[NH+](CCCCNC(=O)[C@H](O)c2ccccc2Cl)CC1 ZINC000159605304 528235614 /nfs/dbraw/zinc/23/56/14/528235614.db2.gz UODCMTUXYNKHGS-QGZVFWFLSA-N 1 0 338.879 3.002 20 70 EGIDRO CC(C)[NH+]1CCC(NC(=O)Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000159851818 528995452 /nfs/dbraw/zinc/99/54/52/528995452.db2.gz VMNHQZQCDDJCSE-UHFFFAOYSA-N 1 0 344.377 3.117 20 70 EGIDRO CC(C)[C@H](Cc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159766832 529031939 /nfs/dbraw/zinc/03/19/39/529031939.db2.gz HEOJVWXAKBAYKU-FQEVSTJZSA-N 1 0 328.500 3.492 20 70 EGIDRO CCCCn1ncc(NC(=O)N2CC[NH+](C3CCCCC3)CC2)c1C ZINC000160196345 529106432 /nfs/dbraw/zinc/10/64/32/529106432.db2.gz LUZJAKZBGFYKNP-UHFFFAOYSA-N 1 0 347.507 3.474 20 70 EGIDRO C[C@H]([NH2+]Cc1ccc(N(C)C)nc1)c1ccc(NC(=O)C2CC2)cc1 ZINC000159741846 546940229 /nfs/dbraw/zinc/94/02/29/546940229.db2.gz LRYOYABFNSPZNB-AWEZNQCLSA-N 1 0 338.455 3.347 20 70 EGIDRO Cc1nccc(NC(=O)NC[C@@H](Cc2ccccc2)[NH+](C)C)c1Cl ZINC000159958970 546942774 /nfs/dbraw/zinc/94/27/74/546942774.db2.gz AWUYLNPGCIUWTG-OAHLLOKOSA-N 1 0 346.862 3.338 20 70 EGIDRO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160287809 546945415 /nfs/dbraw/zinc/94/54/15/546945415.db2.gz UWKMAOSYKPTQNJ-OAHLLOKOSA-N 1 0 343.858 3.262 20 70 EGIDRO C[C@H]([NH2+]CCOc1cccc(Cl)c1)c1cccc(-n2cnnn2)c1 ZINC000160249846 546945821 /nfs/dbraw/zinc/94/58/21/546945821.db2.gz GJJCRZCPOLDWSL-ZDUSSCGKSA-N 1 0 343.818 3.045 20 70 EGIDRO Cc1cccc(CN(CC[NH+](C)C)C(=O)C[C@H](C)c2ccncc2)c1 ZINC000160430579 546947068 /nfs/dbraw/zinc/94/70/68/546947068.db2.gz IDGYHXBIJSLYES-SFHVURJKSA-N 1 0 339.483 3.474 20 70 EGIDRO CCc1ccc(-c2noc(CN3CCN(c4cc[nH+]cc4)CC3)n2)cc1 ZINC000161357623 546954677 /nfs/dbraw/zinc/95/46/77/546954677.db2.gz KQXHRIDMQIINQN-UHFFFAOYSA-N 1 0 349.438 3.016 20 70 EGIDRO CN(C)c1cccc(C[N@H+](C)CCC(=O)Nc2ccccc2F)c1 ZINC000159820056 529789004 /nfs/dbraw/zinc/78/90/04/529789004.db2.gz BMGNEYSHUUQGKO-UHFFFAOYSA-N 1 0 329.419 3.352 20 70 EGIDRO COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCC[NH3+])s2)cc1 ZINC000160131617 533191241 /nfs/dbraw/zinc/19/12/41/533191241.db2.gz GUAOJKQYXFQOLJ-LLVKDONJSA-N 1 0 333.457 3.043 20 70 EGIDRO CCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1(CC)CC ZINC000161318689 140970941 /nfs/dbraw/zinc/97/09/41/140970941.db2.gz ZOAGOQBSDWRLLN-MSOLQXFVSA-N 1 0 348.487 3.458 20 70 EGIDRO CCOc1ccc([C@@H](C)[NH2+]C2CCC(NC(C)=O)CC2)cc1OC ZINC000161245655 152772182 /nfs/dbraw/zinc/77/21/82/152772182.db2.gz IZEJRGJYBKHQMD-NVPAJSRCSA-N 1 0 334.460 3.192 20 70 EGIDRO O=C([C@H]1C[C@@H]1c1ccc(F)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159840189 225287914 /nfs/dbraw/zinc/28/79/14/225287914.db2.gz LYXDTBPSACYRQO-CVEARBPZSA-N 1 0 334.410 3.059 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)NCCc2ccccc2F)CC1 ZINC000159892449 225297623 /nfs/dbraw/zinc/29/76/23/225297623.db2.gz QKHOIRATTCHTSG-UHFFFAOYSA-N 1 0 335.467 3.132 20 70 EGIDRO [NH3+]C[C@@H]1CCCN1C(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000160197671 225358456 /nfs/dbraw/zinc/35/84/56/225358456.db2.gz GETHAYABPXVZEH-INIZCTEOSA-N 1 0 344.842 3.336 20 70 EGIDRO COCc1ccc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cc1 ZINC000160131351 307885413 /nfs/dbraw/zinc/88/54/13/307885413.db2.gz JYDRIQQWQJOMRJ-UHFFFAOYSA-N 1 0 341.455 3.313 20 70 EGIDRO COc1ccccc1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000160176652 307886017 /nfs/dbraw/zinc/88/60/17/307886017.db2.gz CQPZXQJUKPZSGJ-UHFFFAOYSA-N 1 0 327.428 3.175 20 70 EGIDRO CC[NH+](CC)[C@H](C(=O)Nc1cccc2c1OCCO2)c1ccccc1 ZINC000160355750 307888742 /nfs/dbraw/zinc/88/87/42/307888742.db2.gz RQINGTSRRKZVRM-SFHVURJKSA-N 1 0 340.423 3.479 20 70 EGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000161182911 307899816 /nfs/dbraw/zinc/89/98/16/307899816.db2.gz NDKOVBVUCJPTID-MAUKXSAKSA-N 1 0 331.460 3.168 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NCCC[NH+]2CCC(C)CC2)n1 ZINC000159647652 455392764 /nfs/dbraw/zinc/39/27/64/455392764.db2.gz KGEQTKRTSQBWBW-UHFFFAOYSA-N 1 0 335.496 3.173 20 70 EGIDRO CC[C@@H](OC1CCCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000159712233 455397635 /nfs/dbraw/zinc/39/76/35/455397635.db2.gz WWIYYVASMPEKJR-LJQANCHMSA-N 1 0 332.488 3.492 20 70 EGIDRO CCCCn1ncc(C(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000159702214 455397669 /nfs/dbraw/zinc/39/76/69/455397669.db2.gz BKGOLTVXXYICGJ-GOSISDBHSA-N 1 0 328.460 3.024 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCCc2c[nH]c3ccc(Cl)cc23)CC1 ZINC000159919501 455415633 /nfs/dbraw/zinc/41/56/33/455415633.db2.gz DCDFSOLHLZCIFR-UHFFFAOYSA-N 1 0 348.878 3.101 20 70 EGIDRO CCOCCCN1CCO[C@@H](c2cccc(Br)c2)C1 ZINC000159951430 455418701 /nfs/dbraw/zinc/41/87/01/455418701.db2.gz MYBXGQDEDUJOKW-OAHLLOKOSA-N 1 0 328.250 3.249 20 70 EGIDRO COc1cc(C[NH2+]Cc2cnn(C)c2C)ccc1OC1CCCC1 ZINC000160177533 455435142 /nfs/dbraw/zinc/43/51/42/455435142.db2.gz TTXBSECQTJXEOF-UHFFFAOYSA-N 1 0 329.444 3.348 20 70 EGIDRO CSCC[C@H](C)N(C)C(=O)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000160183402 455435229 /nfs/dbraw/zinc/43/52/29/455435229.db2.gz QTJOXSQIERZLSW-XYJFISCASA-N 1 0 349.544 3.432 20 70 EGIDRO CC[C@H]([NH2+][C@@H]1CCc2nc(C)nn2C1)c1ccccc1Br ZINC000160577914 455476949 /nfs/dbraw/zinc/47/69/49/455476949.db2.gz CZKPFIPBGYYEAA-DOMZBBRYSA-N 1 0 349.276 3.405 20 70 EGIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCNC(=O)c2c(F)cc(F)cc2F)C1 ZINC000160671777 455486201 /nfs/dbraw/zinc/48/62/01/455486201.db2.gz KDDOISMIHDPYFP-TXEJJXNPSA-N 1 0 328.378 3.202 20 70 EGIDRO CN(C)c1ccc(C[NH2+]Cc2cc(F)cc(Br)c2)cn1 ZINC000160683246 455488184 /nfs/dbraw/zinc/48/81/84/455488184.db2.gz PQAKFHUYCKTUGK-UHFFFAOYSA-N 1 0 338.224 3.339 20 70 EGIDRO CC(C)(C)C1CCC(c2cc(NC(=O)C[C@H]3C[NH2+]CCO3)n[nH]2)CC1 ZINC000159475405 455379233 /nfs/dbraw/zinc/37/92/33/455379233.db2.gz WYVVWHHYRVEFDN-NRXISQOPSA-N 1 0 348.491 3.047 20 70 EGIDRO O=C(c1occc1-c1ccc(F)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000159528492 455383299 /nfs/dbraw/zinc/38/32/99/455383299.db2.gz RPFIUPZARREJND-UHFFFAOYSA-N 1 0 328.387 3.254 20 70 EGIDRO O=C(NCCC[NH2+]C1CC1)c1ccc2cc(Br)ccc2c1 ZINC000159641498 455391142 /nfs/dbraw/zinc/39/11/42/455391142.db2.gz RIHIFWCMLZPEEW-UHFFFAOYSA-N 1 0 347.256 3.474 20 70 EGIDRO CCCCn1ncc(NC(=O)N(C)CC[C@@H]2CCCC[N@@H+]2C)c1C ZINC000159777011 455402739 /nfs/dbraw/zinc/40/27/39/455402739.db2.gz MEAIPBPWMUPCAR-INIZCTEOSA-N 1 0 335.496 3.330 20 70 EGIDRO O=C([C@@H]1C[C@@]12CCCc1ccccc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000159824908 455406617 /nfs/dbraw/zinc/40/66/17/455406617.db2.gz WTPABXCIIQFRQJ-RBBKRZOGSA-N 1 0 338.495 3.271 20 70 EGIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000160002673 455421055 /nfs/dbraw/zinc/42/10/55/455421055.db2.gz YIUUPSKTHRKVBJ-QAPCUYQASA-N 1 0 348.535 3.393 20 70 EGIDRO Cc1cccnc1[C@@H](NC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C)C(C)C ZINC000160113212 455429665 /nfs/dbraw/zinc/42/96/65/455429665.db2.gz NDWBKEQFQFJEAW-SJORKVTESA-N 1 0 332.492 3.069 20 70 EGIDRO CCC[C@H]1CN(C(=O)NCc2ccccc2C[N@H+](C)C(C)C)CCO1 ZINC000160147195 455432580 /nfs/dbraw/zinc/43/25/80/455432580.db2.gz IUTPQTDIBNBCTI-IBGZPJMESA-N 1 0 347.503 3.237 20 70 EGIDRO O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000160160123 455432777 /nfs/dbraw/zinc/43/27/77/455432777.db2.gz NOBCSUCAUQVMPZ-DLBZAZTESA-N 1 0 334.504 3.249 20 70 EGIDRO CCCCn1ncc(NC(=O)N(C)C2CC[NH+](CCC)CC2)c1C ZINC000160254627 455441567 /nfs/dbraw/zinc/44/15/67/455441567.db2.gz NBYVSLRKUNEDJY-UHFFFAOYSA-N 1 0 335.496 3.330 20 70 EGIDRO C[C@@H]1C[C@@H](NC(=O)N2C[C@@H]3CCC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000160284547 455445414 /nfs/dbraw/zinc/44/54/14/455445414.db2.gz WSFRRPOHAOHKJD-OQIJWPOYSA-N 1 0 327.472 3.091 20 70 EGIDRO C[C@@H]([NH2+]CCN1CCN(c2cccc(Cl)c2)CC1)c1ccncc1 ZINC000160285671 455445596 /nfs/dbraw/zinc/44/55/96/455445596.db2.gz MBAOLODTHBJPDT-MRXNPFEDSA-N 1 0 344.890 3.208 20 70 EGIDRO COc1ccc(Cl)cc1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160331247 455448634 /nfs/dbraw/zinc/44/86/34/455448634.db2.gz PIJLEEKDCPWOGO-UHFFFAOYSA-N 1 0 332.831 3.340 20 70 EGIDRO COC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1Br)C1CC1 ZINC000160404994 455454828 /nfs/dbraw/zinc/45/48/28/455454828.db2.gz LHHFQYKIVMJEJB-RISCZKNCSA-N 1 0 328.250 3.231 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1cn(-c2ccc(Cl)cc2)nc1C ZINC000160482253 455464591 /nfs/dbraw/zinc/46/45/91/455464591.db2.gz JEIZKHBNJJBVRI-UHFFFAOYSA-N 1 0 334.851 3.081 20 70 EGIDRO CCCN(CC[NH+](CC)CC)C(=O)Nc1nnc(C2CC2)s1 ZINC000160540318 455471701 /nfs/dbraw/zinc/47/17/01/455471701.db2.gz XLFZQFIOSFKIJR-UHFFFAOYSA-N 1 0 325.482 3.001 20 70 EGIDRO CCc1nc2c(s1)[C@@H](N(C)C(=O)NCC[NH+](CC)CC)CCC2 ZINC000160638819 455483038 /nfs/dbraw/zinc/48/30/38/455483038.db2.gz ZNJWEFYQSQDJAZ-AWEZNQCLSA-N 1 0 338.521 3.066 20 70 EGIDRO CCOC(=O)c1c(C)oc2nc(C[N@H+](CC)[C@H](C)C(C)C)nc(N)c21 ZINC000160710828 455490613 /nfs/dbraw/zinc/49/06/13/455490613.db2.gz AUSAWZWDPSSMGU-LLVKDONJSA-N 1 0 348.447 3.157 20 70 EGIDRO [NH3+]C1(CC(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)CCC1 ZINC000160726465 455491703 /nfs/dbraw/zinc/49/17/03/455491703.db2.gz NIXIHPLPVVNMTP-SFHVURJKSA-N 1 0 326.415 3.497 20 70 EGIDRO CCc1c(C(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)cnn1CC(C)C ZINC000160853780 455505698 /nfs/dbraw/zinc/50/56/98/455505698.db2.gz WUUUPHKCXRITAC-KRWDZBQOSA-N 1 0 348.535 3.199 20 70 EGIDRO C[C@H](Cc1ccc(O)cc1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160877660 455507330 /nfs/dbraw/zinc/50/73/30/455507330.db2.gz CRZFVYJDGPZARR-MRXNPFEDSA-N 1 0 347.503 3.087 20 70 EGIDRO CC(C)c1ccc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)cn1 ZINC000161101536 455534229 /nfs/dbraw/zinc/53/42/29/455534229.db2.gz PHIXXCWOEPNHPB-SFHVURJKSA-N 1 0 329.419 3.377 20 70 EGIDRO COCc1c(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)sc2cccc(F)c21 ZINC000161117246 455536263 /nfs/dbraw/zinc/53/62/63/455536263.db2.gz HYCJVEHHHIMNER-GHMZBOCLSA-N 1 0 336.432 3.187 20 70 EGIDRO COC(=O)[C@@H](C)[C@@H]([NH2+]Cc1c(C)nc2ccccn21)c1ccccc1 ZINC000161289662 455556024 /nfs/dbraw/zinc/55/60/24/455556024.db2.gz LIFAXLHMJSZKKQ-IFXJQAMLSA-N 1 0 337.423 3.283 20 70 EGIDRO COCc1cc([C@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)ccc1OC ZINC000161347082 455561487 /nfs/dbraw/zinc/56/14/87/455561487.db2.gz GGKVCCCYOQRWOC-IFXJQAMLSA-N 1 0 345.439 3.234 20 70 EGIDRO CC(C)(C[NH2+]C1CCC2(CC1)OCCO2)N1CCc2ccccc2C1 ZINC000161372221 455563801 /nfs/dbraw/zinc/56/38/01/455563801.db2.gz IQJQTRGVVMWHHZ-UHFFFAOYSA-N 1 0 344.499 3.099 20 70 EGIDRO CC(=O)NC1CCC([NH2+]Cc2cccc(NC(=O)CC(C)C)c2)CC1 ZINC000161373812 455563870 /nfs/dbraw/zinc/56/38/70/455563870.db2.gz FSKFEPMTJBMRPK-UHFFFAOYSA-N 1 0 345.487 3.208 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H]2CCc3c2cccc3C)c1 ZINC000161408493 455568098 /nfs/dbraw/zinc/56/80/98/455568098.db2.gz VGOFDOZPUUOPBY-LIRRHRJNSA-N 1 0 344.480 3.241 20 70 EGIDRO Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000161432311 455570143 /nfs/dbraw/zinc/57/01/43/455570143.db2.gz UKXIJEANWDHNKJ-LSDHHAIUSA-N 1 0 329.469 3.047 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCc3ccc(C)cc32)c1 ZINC000161468002 455573010 /nfs/dbraw/zinc/57/30/10/455573010.db2.gz OXYYKALKEIIFDW-KUHUBIRLSA-N 1 0 344.480 3.241 20 70 EGIDRO C[C@H]([NH2+][C@H]1CCCC[C@@H]1C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000218721497 456035194 /nfs/dbraw/zinc/03/51/94/456035194.db2.gz UTHMISPTFDAWMT-BXWFABGCSA-N 1 0 347.478 3.031 20 70 EGIDRO CC(C)(C)c1nsc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)n1 ZINC000160012419 526906554 /nfs/dbraw/zinc/90/65/54/526906554.db2.gz HKMSBJYFVIWCCU-ZIAGYGMSSA-N 1 0 338.521 3.015 20 70 EGIDRO CCN(CC)[C@H](C[NH2+]Cc1ccccc1NC(C)=O)c1ccco1 ZINC000160367504 528281351 /nfs/dbraw/zinc/28/13/51/528281351.db2.gz APCUIKJKQSKBRU-GOSISDBHSA-N 1 0 329.444 3.411 20 70 EGIDRO CCOCCC1(C[NH2+][C@H](C(=O)NC2CC2)c2ccccc2)CCC1 ZINC000159998722 528636787 /nfs/dbraw/zinc/63/67/87/528636787.db2.gz AAANIJSCWUZXJR-SFHVURJKSA-N 1 0 330.472 3.193 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]Cc2sc(C)nc2C)cc1 ZINC000159675287 529163214 /nfs/dbraw/zinc/16/32/14/529163214.db2.gz IRNLQVAMWMSCKG-LLVKDONJSA-N 1 0 338.498 3.404 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)CCc1cc(Br)cs1 ZINC000160557436 537706234 /nfs/dbraw/zinc/70/62/34/537706234.db2.gz IHXZIJNLWVHXKR-UHFFFAOYSA-N 1 0 333.295 3.077 20 70 EGIDRO Cc1cc(C)c(NC(=O)CCC[N@@H+](C)C[C@H]2CCC[C@@H]2O)c(C)c1 ZINC000159603757 546939533 /nfs/dbraw/zinc/93/95/33/546939533.db2.gz ONRDYHYYFSUKEU-MSOLQXFVSA-N 1 0 332.488 3.423 20 70 EGIDRO O=C(C[NH2+][C@H]1CCSc2c(Cl)cccc21)NCC(F)(F)F ZINC000160612529 546948923 /nfs/dbraw/zinc/94/89/23/546948923.db2.gz HZHYJPZTQANGRN-JTQLQIEISA-N 1 0 338.782 3.145 20 70 EGIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc([S@@](C)=O)cc1 ZINC000161135455 546953347 /nfs/dbraw/zinc/95/33/47/546953347.db2.gz VFJZAUZJLNUFMW-NPMABZOXSA-N 1 0 331.437 3.046 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(COc2ccc(C)cc2C)o1 ZINC000161346859 529990404 /nfs/dbraw/zinc/99/04/04/529990404.db2.gz VIFXCNDRJXRHHF-INIZCTEOSA-N 1 0 342.439 3.299 20 70 EGIDRO C[C@@H](C(=O)N[C@@H]1CCO[C@H](c2ccccc2)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000159435296 533301348 /nfs/dbraw/zinc/30/13/48/533301348.db2.gz XOAGEQUPSJHGBZ-FYAJOAKPSA-N 1 0 330.472 3.284 20 70 EGIDRO C[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)c1ccc(N2CCCC2=O)cc1 ZINC000160090662 533424635 /nfs/dbraw/zinc/42/46/35/533424635.db2.gz COXXPDSXFQDSIL-AUUYWEPGSA-N 1 0 344.480 3.433 20 70 EGIDRO C[C@H](CCn1cccn1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000159437839 225216243 /nfs/dbraw/zinc/21/62/43/225216243.db2.gz ODZPQVZEBUWOCR-QGZVFWFLSA-N 1 0 344.528 3.365 20 70 EGIDRO COc1cccc(CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000160199713 225360527 /nfs/dbraw/zinc/36/05/27/225360527.db2.gz STSBPBZIMWKEBL-UHFFFAOYSA-N 1 0 347.503 3.001 20 70 EGIDRO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000216718655 266193005 /nfs/dbraw/zinc/19/30/05/266193005.db2.gz XOYBIHIWSITIHC-OAHLLOKOSA-N 1 0 346.471 3.417 20 70 EGIDRO Cc1ccc(OCCCNC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000217297865 266194591 /nfs/dbraw/zinc/19/45/91/266194591.db2.gz HODRMXAYODMEBT-UHFFFAOYSA-N 1 0 347.503 3.372 20 70 EGIDRO C[C@H](NC(=O)NC(C)(C)C[N@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000159962286 278242844 /nfs/dbraw/zinc/24/28/44/278242844.db2.gz RBXLPTOMVATNBL-INIZCTEOSA-N 1 0 347.503 3.011 20 70 EGIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160070281 280101074 /nfs/dbraw/zinc/10/10/74/280101074.db2.gz DVWYGPLZDQGNAR-CABCVRRESA-N 1 0 332.492 3.351 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000160118292 307885134 /nfs/dbraw/zinc/88/51/34/307885134.db2.gz JNKFGHLYFPVFDI-SFHVURJKSA-N 1 0 343.475 3.416 20 70 EGIDRO CCOCc1ccc(CNC(=O)N(CC[NH+](C)C)C2CCCC2)cc1 ZINC000160206321 307886365 /nfs/dbraw/zinc/88/63/65/307886365.db2.gz SZWCXWREKPSVNZ-UHFFFAOYSA-N 1 0 347.503 3.239 20 70 EGIDRO Cc1cccc2c(CCC(=O)NCC[NH+]3CCCCCC3)c[nH]c21 ZINC000160221681 307886560 /nfs/dbraw/zinc/88/65/60/307886560.db2.gz XBKYBHJOEHEWBN-UHFFFAOYSA-N 1 0 327.472 3.401 20 70 EGIDRO C[C@H](C(=O)NCC1CC[NH+](C)CC1)c1ccc(Br)cc1 ZINC000160364717 307888820 /nfs/dbraw/zinc/88/88/20/307888820.db2.gz JURNBOWLAHZBBC-LBPRGKRZSA-N 1 0 339.277 3.011 20 70 EGIDRO COc1ccc2cccc(CC(=O)N(CC[NH+](C)C)C(C)C)c2c1 ZINC000161183105 307899874 /nfs/dbraw/zinc/89/98/74/307899874.db2.gz LAZLMJUEAKLWSD-UHFFFAOYSA-N 1 0 328.456 3.190 20 70 EGIDRO CCn1nccc1C[NH2+]C[C@H](C(C)C)N1CCc2ccccc2C1 ZINC000159925741 455415892 /nfs/dbraw/zinc/41/58/92/455415892.db2.gz WZSKUSXZJNMWAO-HXUWFJFHSA-N 1 0 326.488 3.076 20 70 EGIDRO CC(C)[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC(=O)C[C@H]1C ZINC000160047904 455424188 /nfs/dbraw/zinc/42/41/88/455424188.db2.gz BTMMONWUBSHBQM-BEFAXECRSA-N 1 0 330.472 3.148 20 70 EGIDRO CC(C)(CNC(=O)[C@H]([NH3+])Cc1ccccc1)c1ccc(F)cc1Cl ZINC000160042678 455424403 /nfs/dbraw/zinc/42/44/03/455424403.db2.gz JJMLRDPZRHIDHY-QGZVFWFLSA-N 1 0 348.849 3.443 20 70 EGIDRO CO[C@]1(C[NH2+]C2CC(c3ccc(Br)cc3)C2)CCOC1 ZINC000160134810 455432220 /nfs/dbraw/zinc/43/22/20/455432220.db2.gz KBXSRPNCDAJFSK-BCLQGDPASA-N 1 0 340.261 3.090 20 70 EGIDRO C[C@H]([NH2+]C1CCN(C(=O)c2ccncc2)CC1)[C@@H](C)c1ccccc1 ZINC000160213824 455438887 /nfs/dbraw/zinc/43/88/87/455438887.db2.gz RNHQOCTULVQPLI-SJORKVTESA-N 1 0 337.467 3.468 20 70 EGIDRO CSC[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160425249 455457280 /nfs/dbraw/zinc/45/72/80/455457280.db2.gz FZWKVXNJTMVVBB-LZLYRXPVSA-N 1 0 349.544 3.432 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1cc(NC(=O)C(C)C)ccc1Cl ZINC000160560663 455474477 /nfs/dbraw/zinc/47/44/77/455474477.db2.gz ZKRYAAWTHDBULN-UHFFFAOYSA-N 1 0 339.867 3.182 20 70 EGIDRO O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)N[C@@H](Cc1ccccc1)C(F)(F)F ZINC000160834937 455504088 /nfs/dbraw/zinc/50/40/88/455504088.db2.gz KETRQGNZKQZWCM-UYTSQGDYSA-N 1 0 340.389 3.197 20 70 EGIDRO CCOCCC1(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000159721303 455398503 /nfs/dbraw/zinc/39/85/03/455398503.db2.gz SJXLGDHLCLXCCB-QFBILLFUSA-N 1 0 339.524 3.003 20 70 EGIDRO C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCOCC1)c1ccsc1 ZINC000159841919 455409179 /nfs/dbraw/zinc/40/91/79/455409179.db2.gz KBNKDNWAFGQNKW-HNNXBMFYSA-N 1 0 336.501 3.003 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](c2ccc(F)cc2)C(F)(F)F)CC1 ZINC000159879110 455412512 /nfs/dbraw/zinc/41/25/12/455412512.db2.gz IIVSKVRVPJEVLN-AWEZNQCLSA-N 1 0 347.356 3.166 20 70 EGIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)CCCc1nc(C2CC2)no1 ZINC000159934427 455416689 /nfs/dbraw/zinc/41/66/89/455416689.db2.gz TXCGSYJGZZIYMJ-OAHLLOKOSA-N 1 0 348.491 3.041 20 70 EGIDRO CSCC[C@H](C)N(C)C(=O)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000159959906 455418442 /nfs/dbraw/zinc/41/84/42/455418442.db2.gz FQMUXAILYDFXKV-RYRKJORJSA-N 1 0 349.544 3.290 20 70 EGIDRO O=C(N[C@@H]1CCOC2(CCCC2)C1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000160160260 455433299 /nfs/dbraw/zinc/43/32/99/455433299.db2.gz NOBCSUCAUQVMPZ-IAGOWNOFSA-N 1 0 334.504 3.249 20 70 EGIDRO C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cnc3ccccn23)C1 ZINC000160409610 455455794 /nfs/dbraw/zinc/45/57/94/455455794.db2.gz PSEHYNSCZZXDER-QZTJIDSGSA-N 1 0 326.488 3.421 20 70 EGIDRO CC(C)n1ncc2cc(C[NH+]3CCC(c4cnn(C)c4)CC3)cnc21 ZINC000160450646 455460011 /nfs/dbraw/zinc/46/00/11/455460011.db2.gz VFPYOYWLDBLATJ-UHFFFAOYSA-N 1 0 338.459 3.125 20 70 EGIDRO CCOC(=O)COc1ccc(C[N@H+](C)Cc2cccc(F)c2)cc1 ZINC000160467403 455462058 /nfs/dbraw/zinc/46/20/58/455462058.db2.gz RUCJMHQKPNWNKW-UHFFFAOYSA-N 1 0 331.387 3.400 20 70 EGIDRO Cc1cc2c(ncnc2N2CCC[C@@H]2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000160463001 455462499 /nfs/dbraw/zinc/46/24/99/455462499.db2.gz SNBCUCANDSQKPU-VNHYZAJKSA-N 1 0 346.500 3.078 20 70 EGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC000160541156 455471964 /nfs/dbraw/zinc/47/19/64/455471964.db2.gz UXJPKCOOSLGGKJ-SJORKVTESA-N 1 0 347.503 3.218 20 70 EGIDRO Cc1cnc(CN(C)C2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)o1 ZINC000160605905 455478884 /nfs/dbraw/zinc/47/88/84/455478884.db2.gz VLZMVQNQMPGLMF-YIONKMFJSA-N 1 0 335.448 3.345 20 70 EGIDRO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@H](C)c1cccc(OC)c1 ZINC000160692496 455488638 /nfs/dbraw/zinc/48/86/38/455488638.db2.gz YIJNDTGTDRRIAI-QAPCUYQASA-N 1 0 345.487 3.272 20 70 EGIDRO Cc1cc(C(=O)N2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc(Cl)n1 ZINC000160810207 455501043 /nfs/dbraw/zinc/50/10/43/455501043.db2.gz ZHKUGBOYXUDYRY-CZUORRHYSA-N 1 0 333.863 3.132 20 70 EGIDRO CC[NH+]1CCC(CCNC(=O)C(C)(C)c2ccc(OC)cc2)CC1 ZINC000160869227 455506288 /nfs/dbraw/zinc/50/62/88/455506288.db2.gz HQOFLBMAUHROCQ-UHFFFAOYSA-N 1 0 332.488 3.211 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCc2ccc(Br)s2)C1 ZINC000160901106 455511182 /nfs/dbraw/zinc/51/11/82/455511182.db2.gz HYGCLPHBBOGIHI-WDEREUQCSA-N 1 0 345.306 3.219 20 70 EGIDRO COc1cccc(C[C@@H]([NH2+]CC(=O)NC(C)C)c2ccccc2)c1 ZINC000160928157 455514857 /nfs/dbraw/zinc/51/48/57/455514857.db2.gz AZZHFIQWNCITAL-LJQANCHMSA-N 1 0 326.440 3.093 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000160950577 455517515 /nfs/dbraw/zinc/51/75/15/455517515.db2.gz WBFANWRVJGILNQ-CQSZACIVSA-N 1 0 347.459 3.441 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000160968639 455519092 /nfs/dbraw/zinc/51/90/92/455519092.db2.gz FZOSXLWEAPKOEE-QWRGUYRKSA-N 1 0 333.284 3.472 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@H]2CCc3cc(Cl)ccc32)cc1 ZINC000161008843 455523319 /nfs/dbraw/zinc/52/33/19/455523319.db2.gz PDMMTFFDCKYKPX-SFHVURJKSA-N 1 0 344.842 3.242 20 70 EGIDRO CC(C)(C)NC(=O)Nc1ccnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000161037502 455526173 /nfs/dbraw/zinc/52/61/73/455526173.db2.gz GWXZGMMLMAKSGC-MRXNPFEDSA-N 1 0 341.459 3.250 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2ccc(Cl)cc2Br)C1 ZINC000161113477 455535284 /nfs/dbraw/zinc/53/52/84/455535284.db2.gz RAEVNUVGUGIIDY-ZJUUUORDSA-N 1 0 331.641 3.102 20 70 EGIDRO CS[C@H]1CCCCN(C(=O)NC[C@@H](c2cccs2)[NH+](C)C)C1 ZINC000161125130 455537076 /nfs/dbraw/zinc/53/70/76/455537076.db2.gz OOPWZXJNKZKLMD-KBPBESRZSA-N 1 0 341.546 3.278 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2cc(C)c(OC(F)F)c(C)c2)CC1 ZINC000161127226 455537128 /nfs/dbraw/zinc/53/71/28/455537128.db2.gz PJSHBQGQYHDLJQ-UHFFFAOYSA-N 1 0 340.414 3.367 20 70 EGIDRO CC[NH+](CC)CCOc1ccccc1NC1CCC(NC(C)=O)CC1 ZINC000161131014 455538184 /nfs/dbraw/zinc/53/81/84/455538184.db2.gz NDPRUPGJMKFUON-UHFFFAOYSA-N 1 0 347.503 3.266 20 70 EGIDRO CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161170027 455542989 /nfs/dbraw/zinc/54/29/89/455542989.db2.gz GDHBPQJKHGIQQO-XFQXTVEOSA-N 1 0 346.471 3.039 20 70 EGIDRO CC[C@H](C)c1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)on1 ZINC000161183359 455545633 /nfs/dbraw/zinc/54/56/33/455545633.db2.gz RKVNJHYIEJVDTO-BLLLJJGKSA-N 1 0 333.407 3.360 20 70 EGIDRO Cc1cc(C)cc(OCC[NH2+]C2CCN(CC(F)(F)F)CC2)c1 ZINC000161240382 455551545 /nfs/dbraw/zinc/55/15/45/455551545.db2.gz TVQGUFOYGHROPF-UHFFFAOYSA-N 1 0 330.394 3.299 20 70 EGIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](c1ccco1)N(CC)CC ZINC000161268294 455554040 /nfs/dbraw/zinc/55/40/40/455554040.db2.gz YJRIJYNPUWYTCI-GOSISDBHSA-N 1 0 332.492 3.311 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000161268367 455554163 /nfs/dbraw/zinc/55/41/63/455554163.db2.gz XPGSUTHQZSEQOG-ROUUACIJSA-N 1 0 342.414 3.404 20 70 EGIDRO CC[C@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc(OC)c(OC)c1 ZINC000161318629 455558084 /nfs/dbraw/zinc/55/80/84/455558084.db2.gz TUMQEHDZPZSHEP-ZWKOTPCHSA-N 1 0 345.439 3.487 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1csc(-c2ccc(Cl)s2)n1 ZINC000161344671 455561295 /nfs/dbraw/zinc/56/12/95/455561295.db2.gz YBKIOVIYYOMBKY-VIFPVBQESA-N 1 0 341.889 3.349 20 70 EGIDRO CC(=O)NC1CCC([NH2+][C@@H](c2ccc(F)cc2)[C@H]2CCCO2)CC1 ZINC000161366764 455562784 /nfs/dbraw/zinc/56/27/84/455562784.db2.gz ZAQPSGPXPNEVIU-GMNCBBECSA-N 1 0 334.435 3.083 20 70 EGIDRO O=C(N[C@H](C[NH+]1CCCC1)c1ccccc1)c1ccnc(Cl)c1F ZINC000161359273 455562892 /nfs/dbraw/zinc/56/28/92/455562892.db2.gz GKTNWWKDXGQMBZ-OAHLLOKOSA-N 1 0 347.821 3.441 20 70 EGIDRO CC(C)CCC1CCN(C(=O)Nc2ccn(CC[NH+](C)C)n2)CC1 ZINC000161374234 455564192 /nfs/dbraw/zinc/56/41/92/455564192.db2.gz JQBMMILAKOSCNW-UHFFFAOYSA-N 1 0 335.496 3.125 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@H](C)c2sccc2C)c1 ZINC000161441265 455570633 /nfs/dbraw/zinc/57/06/33/455570633.db2.gz JPFXZSOSPVJABP-QWHCGFSZSA-N 1 0 338.498 3.376 20 70 EGIDRO CC(C)[C@@H](Cc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159766717 528491881 /nfs/dbraw/zinc/49/18/81/528491881.db2.gz HEOJVWXAKBAYKU-HXUWFJFHSA-N 1 0 328.500 3.492 20 70 EGIDRO CCOCCC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC000159638956 528626836 /nfs/dbraw/zinc/62/68/36/528626836.db2.gz YBJXYCLXTNYNLL-IBGZPJMESA-N 1 0 344.499 3.364 20 70 EGIDRO CC[C@@H](C(=O)Nc1ccc(Oc2ccc(OC)cc2)nc1)[NH+](C)C ZINC000159804472 529292523 /nfs/dbraw/zinc/29/25/23/529292523.db2.gz QXUCLEMTTZFFDU-INIZCTEOSA-N 1 0 329.400 3.161 20 70 EGIDRO C[C@@H](CC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccncc1 ZINC000160538045 546947397 /nfs/dbraw/zinc/94/73/97/546947397.db2.gz UNJMPAZRJNFGHI-IRXDYDNUSA-N 1 0 325.456 3.212 20 70 EGIDRO C[C@H](CNC(=O)C[C@H](C)c1ccncc1)[N@H+](C)Cc1ccccc1 ZINC000160537807 546947902 /nfs/dbraw/zinc/94/79/02/546947902.db2.gz UNJMPAZRJNFGHI-DLBZAZTESA-N 1 0 325.456 3.212 20 70 EGIDRO C[NH+](C)CCCC1CCN(C(=O)NC[C@@H]2Cc3ccccc32)CC1 ZINC000160827934 546951006 /nfs/dbraw/zinc/95/10/06/546951006.db2.gz OSASKVHFNLNQQD-SFHVURJKSA-N 1 0 329.488 3.090 20 70 EGIDRO CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](CC)Cc1ccc2c(c1)OCO2 ZINC000216717709 574770398 /nfs/dbraw/zinc/77/03/98/574770398.db2.gz NXLBBYLWVNPSBP-NVXWUHKLSA-N 1 0 346.471 3.417 20 70 EGIDRO CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc2nc[nH]c21 ZINC000159746735 529954885 /nfs/dbraw/zinc/95/48/85/529954885.db2.gz NPKWSUPSBRLGRY-KRWDZBQOSA-N 1 0 348.450 3.157 20 70 EGIDRO C[N@@H+](Cc1cn2cc(Cl)cc(Cl)c2n1)C[C@@H]1CCC[C@@H]1O ZINC000159512224 530015484 /nfs/dbraw/zinc/01/54/84/530015484.db2.gz VJBUMESQXXGEJY-HZMBPMFUSA-N 1 0 328.243 3.234 20 70 EGIDRO CSCC[C@@H]([NH3+])C(=O)NCC1(Sc2ccccc2)CCCC1 ZINC000159675225 533602070 /nfs/dbraw/zinc/60/20/70/533602070.db2.gz SVEUMBUQPFPRIS-OAHLLOKOSA-N 1 0 338.542 3.288 20 70 EGIDRO C[C@@H](C(=O)Nc1cc(Cl)ccc1Cl)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159709311 225264990 /nfs/dbraw/zinc/26/49/90/225264990.db2.gz BBPPTNMRVLSBLU-PGUXBMHVSA-N 1 0 345.270 3.413 20 70 EGIDRO COCC[NH+]1CCC(NC(=O)N[C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000159731150 225267774 /nfs/dbraw/zinc/26/77/74/225267774.db2.gz SQTFQIVBIHQORR-KXBFYZLASA-N 1 0 345.487 3.035 20 70 EGIDRO O=C(N1CCC([NH2+]CC2CC2)CC1)C1(c2cccc(F)c2)CCC1 ZINC000159742086 225269324 /nfs/dbraw/zinc/26/93/24/225269324.db2.gz NYKNIPHZDJLIRF-UHFFFAOYSA-N 1 0 330.447 3.238 20 70 EGIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H](Sc2ccc(F)c(F)c2)c2ccccc2)C1 ZINC000160307255 225384831 /nfs/dbraw/zinc/38/48/31/225384831.db2.gz WKRXENXIYPYVIV-DYVFJYSZSA-N 1 0 348.418 3.358 20 70 EGIDRO O=C(NC[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(CCC(F)(F)F)cc1 ZINC000160135308 225344944 /nfs/dbraw/zinc/34/49/44/225344944.db2.gz URLVFLFGRBMZJT-CQSZACIVSA-N 1 0 340.389 3.396 20 70 EGIDRO [NH3+]C[C@H]1CCCN1C(=O)c1cccc(OCc2cccc(Cl)c2)c1 ZINC000160142625 225346327 /nfs/dbraw/zinc/34/63/27/225346327.db2.gz BSYOCZVQCHDTOW-QGZVFWFLSA-N 1 0 344.842 3.482 20 70 EGIDRO [NH3+]C1(CNC(=O)[C@H]2C[C@@H]2c2ccccc2OC(F)F)CCCCC1 ZINC000159724057 264863340 /nfs/dbraw/zinc/86/33/40/264863340.db2.gz ROQPNGZYXVMCKF-KGLIPLIRSA-N 1 0 338.398 3.169 20 70 EGIDRO CC[C@H]1CCCC[N@@H+]1CCNC(=O)N1CCc2ccc(OC)cc2C1 ZINC000217182183 266194684 /nfs/dbraw/zinc/19/46/84/266194684.db2.gz YZNXDIUZBWCQRE-SFHVURJKSA-N 1 0 345.487 3.027 20 70 EGIDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160777254 275195994 /nfs/dbraw/zinc/19/59/94/275195994.db2.gz STASHBZJUGDSPY-QZTJIDSGSA-N 1 0 329.488 3.181 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000160920971 275654382 /nfs/dbraw/zinc/65/43/82/275654382.db2.gz NQFXAKKWWLNAIV-CQSZACIVSA-N 1 0 329.469 3.302 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H]1CCSc2ccc(Br)cc21 ZINC000160964719 275654757 /nfs/dbraw/zinc/65/47/57/275654757.db2.gz QQHRAXLQYRAJOP-LBPRGKRZSA-N 1 0 343.290 3.100 20 70 EGIDRO C[C@H](C(=O)NC[C@@H](C1CC1)[NH+](C)C)c1ccc(Br)cc1 ZINC000159460653 307874295 /nfs/dbraw/zinc/87/42/95/307874295.db2.gz LRPOUOBOFKBYHC-NHYWBVRUSA-N 1 0 339.277 3.009 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+]CCc2cc(C)cc(C)c2)c1 ZINC000159486157 307874594 /nfs/dbraw/zinc/87/45/94/307874594.db2.gz GWMNGKMSYSCRIN-INIZCTEOSA-N 1 0 346.496 3.105 20 70 EGIDRO C[C@@H](CCc1ccc(O)cc1)NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000159673284 307877609 /nfs/dbraw/zinc/87/76/09/307877609.db2.gz FJJBGXQAYWQYBD-INIZCTEOSA-N 1 0 347.503 3.229 20 70 EGIDRO CC[NH+](CC)CCN(CC(C)C)C(=O)Cc1c(C)noc1Cl ZINC000160655885 307893172 /nfs/dbraw/zinc/89/31/72/307893172.db2.gz GMKHBAODXFMVLQ-UHFFFAOYSA-N 1 0 329.872 3.005 20 70 EGIDRO COc1ccc([C@H](C)[NH2+]CCc2ccc3c(c2)OCO3)c(OC)c1 ZINC000161144526 307899163 /nfs/dbraw/zinc/89/91/63/307899163.db2.gz WSJYPGHDSLJZFM-ZDUSSCGKSA-N 1 0 329.396 3.326 20 70 EGIDRO O=C(NC[C@@H]1CCC[NH2+]1)c1ccc2cc(Br)ccc2c1 ZINC000159645126 455392403 /nfs/dbraw/zinc/39/24/03/455392403.db2.gz PVGQYVCWISUJHB-HNNXBMFYSA-N 1 0 333.229 3.084 20 70 EGIDRO O=C(NC[C@@H]1CCC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000159643305 455392707 /nfs/dbraw/zinc/39/27/07/455392707.db2.gz PBPDKHWOYUXFQX-GFCCVEGCSA-N 1 0 347.256 3.332 20 70 EGIDRO C[C@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)C[C@H](C)[NH2+]1 ZINC000159648687 455392894 /nfs/dbraw/zinc/39/28/94/455392894.db2.gz GSERHLDMWMXLKP-RYUDHWBXSA-N 1 0 347.256 3.425 20 70 EGIDRO C[C@@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)C[C@H](C)[NH2+]1 ZINC000159648550 455393072 /nfs/dbraw/zinc/39/30/72/455393072.db2.gz GSERHLDMWMXLKP-TXEJJXNPSA-N 1 0 347.256 3.425 20 70 EGIDRO CN(C)c1cccc(CN(C)[C@@H](C(=O)NC2CC2)c2ccccc2)c1 ZINC000159877018 455411235 /nfs/dbraw/zinc/41/12/35/455411235.db2.gz AWDJGZUUVIWAIW-HXUWFJFHSA-N 1 0 337.467 3.204 20 70 EGIDRO CCO[C@@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C1(C)C ZINC000159794796 455405214 /nfs/dbraw/zinc/40/52/14/455405214.db2.gz JYINMCDFNAMPML-IAGOWNOFSA-N 1 0 338.536 3.407 20 70 EGIDRO CC[C@H](C)Oc1cc(C)ccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159971483 455419616 /nfs/dbraw/zinc/41/96/16/455419616.db2.gz BVKOKXQRUZVECO-KRWDZBQOSA-N 1 0 347.503 3.410 20 70 EGIDRO CO[C@]1(C[NH2+][C@@H](C)c2ccc(Br)cc2F)CCOC1 ZINC000160099895 455428088 /nfs/dbraw/zinc/42/80/88/455428088.db2.gz NDOURGIMXJTTGG-HZMBPMFUSA-N 1 0 332.213 3.044 20 70 EGIDRO CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(F)c(Br)c1 ZINC000160182920 455435434 /nfs/dbraw/zinc/43/54/34/455435434.db2.gz YCOOZOQMQLDDJV-GXSJLCMTSA-N 1 0 336.270 3.353 20 70 EGIDRO Cc1cncc(/C=C/C(=O)N(Cc2ccco2)C2CC[NH+](C)CC2)c1 ZINC000160704030 455490069 /nfs/dbraw/zinc/49/00/69/455490069.db2.gz KZSPYHBEJFQGMJ-AATRIKPKSA-N 1 0 339.439 3.119 20 70 EGIDRO COc1ccc(C[N@H+](C)Cc2ccc(NC(C)=O)cc2)c(OC)c1 ZINC000160832867 455503697 /nfs/dbraw/zinc/50/36/97/455503697.db2.gz UCGMGLIRUZHUGS-UHFFFAOYSA-N 1 0 328.412 3.294 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)C)C2)n1 ZINC000159465899 455377867 /nfs/dbraw/zinc/37/78/67/455377867.db2.gz AZDPIXMXIVYYRY-KRWDZBQOSA-N 1 0 349.523 3.419 20 70 EGIDRO CCN(C(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O)c1cccc2ccccc21 ZINC000159459194 455378573 /nfs/dbraw/zinc/37/85/73/455378573.db2.gz NUGIROTYXJLTRC-XLIONFOSSA-N 1 0 340.467 3.286 20 70 EGIDRO COc1cccc(CCC[N@@H+]2CCC[C@H]2CN2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000159635814 455391065 /nfs/dbraw/zinc/39/10/65/455391065.db2.gz SSPBCKRDBDOFNU-NSHGMRRFSA-N 1 0 346.515 3.201 20 70 EGIDRO [NH3+]C1(CNC(=O)c2cc(-c3ccc(Cl)cc3)on2)CCCCC1 ZINC000159658424 455393292 /nfs/dbraw/zinc/39/32/92/455393292.db2.gz CKQGCIWUWZBEBW-UHFFFAOYSA-N 1 0 333.819 3.386 20 70 EGIDRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000159809870 455405669 /nfs/dbraw/zinc/40/56/69/455405669.db2.gz NWAWGODNXANBGX-IEBWSBKVSA-N 1 0 340.854 3.370 20 70 EGIDRO CCCCn1ncc(NC(=O)N[C@H](C)C[N@@H+]2CCC[C@H](C)C2)c1C ZINC000159818337 455406635 /nfs/dbraw/zinc/40/66/35/455406635.db2.gz QCSWSLXUMSTRGQ-LSDHHAIUSA-N 1 0 335.496 3.234 20 70 EGIDRO C[NH+](C)Cc1cccc(CNC(=O)Cc2c[nH]c3cc(F)ccc23)c1 ZINC000159990235 455421138 /nfs/dbraw/zinc/42/11/38/455421138.db2.gz ZJVVOOGDGGXKHR-UHFFFAOYSA-N 1 0 339.414 3.228 20 70 EGIDRO COc1cccc(OCCCNC(=O)CC[C@@H]([NH3+])c2ccccc2)c1 ZINC000160196873 455437697 /nfs/dbraw/zinc/43/76/97/455437697.db2.gz DNQREEIXKPJFED-LJQANCHMSA-N 1 0 342.439 3.061 20 70 EGIDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cccc(OC3CCCCC3)c2)C1 ZINC000160279490 455443913 /nfs/dbraw/zinc/44/39/13/455443913.db2.gz GVNQJTWDOZJQJJ-MRXNPFEDSA-N 1 0 330.472 3.422 20 70 EGIDRO C[C@@]1(CNC(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCCS1 ZINC000160310186 455447736 /nfs/dbraw/zinc/44/77/36/455447736.db2.gz ZNOBACQYONRXSZ-MJGOQNOKSA-N 1 0 347.528 3.408 20 70 EGIDRO NC(=O)CC[C@@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000160331438 455449058 /nfs/dbraw/zinc/44/90/58/455449058.db2.gz ILJBPMWUIOOCBM-LBPRGKRZSA-N 1 0 345.270 3.350 20 70 EGIDRO COc1cc(OC)c([C@@H](C)[NH2+][C@H](CCO)CSC)cc1Cl ZINC000160363339 455450207 /nfs/dbraw/zinc/45/02/07/455450207.db2.gz XOIALCACNPYNMC-GHMZBOCLSA-N 1 0 333.881 3.122 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)Cc1csc(-c2cccc(F)c2)n1 ZINC000160413267 455456162 /nfs/dbraw/zinc/45/61/62/455456162.db2.gz DPZLLLKVPQVUJR-UHFFFAOYSA-N 1 0 335.448 3.125 20 70 EGIDRO COCCCC[N@H+](C)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160486598 455465951 /nfs/dbraw/zinc/46/59/51/455465951.db2.gz WOXVZKOOAOSXLB-XYPWUTKMSA-N 1 0 326.481 3.275 20 70 EGIDRO CC[C@@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1OC(F)F ZINC000160497567 455466576 /nfs/dbraw/zinc/46/65/76/455466576.db2.gz ZQBXWHHHJKRDBV-GXTWGEPZSA-N 1 0 336.386 3.244 20 70 EGIDRO C[C@@H](c1ccccc1)N(CC1CCC1)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000160528566 455469221 /nfs/dbraw/zinc/46/92/21/455469221.db2.gz QUGCFJAGANBQPT-LPHOPBHVSA-N 1 0 330.472 3.145 20 70 EGIDRO COc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)c2ccccc12 ZINC000160543916 455472813 /nfs/dbraw/zinc/47/28/13/455472813.db2.gz CGHYRTWBVFBYKM-NSHDSACASA-N 1 0 340.345 3.178 20 70 EGIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCC[C@@H]1c1ccco1 ZINC000160746957 455494976 /nfs/dbraw/zinc/49/49/76/455494976.db2.gz BRQKRVAWITVGCB-DLBZAZTESA-N 1 0 331.460 3.391 20 70 EGIDRO C[C@H]1C[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000160806816 455501113 /nfs/dbraw/zinc/50/11/13/455501113.db2.gz GAZNWNMPIMPHEJ-XJKSGUPXSA-N 1 0 335.879 3.274 20 70 EGIDRO CCOCCC1(CNC(=O)NC[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000160892507 455509912 /nfs/dbraw/zinc/50/99/12/455509912.db2.gz VUIZLCXYPPFHPS-KRWDZBQOSA-N 1 0 339.524 3.003 20 70 EGIDRO CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000160927367 455515017 /nfs/dbraw/zinc/51/50/17/455515017.db2.gz XBBIBJBQJHAXJK-NCOADZHNSA-N 1 0 332.488 3.460 20 70 EGIDRO CC[N@@H+](Cc1ccc(NC(C)=O)cc1)C[C@H]1COc2ccccc2O1 ZINC000160952088 455517747 /nfs/dbraw/zinc/51/77/47/455517747.db2.gz LHBXIRPDQYYQOY-SFHVURJKSA-N 1 0 340.423 3.307 20 70 EGIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)c3ccccc3)CC2)CC1 ZINC000160975014 455520324 /nfs/dbraw/zinc/52/03/24/455520324.db2.gz BUOLQNVVWIOUEC-UHFFFAOYSA-N 1 0 336.501 3.008 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)Oc2ccc(SC)cc2)CC1 ZINC000161032051 455525530 /nfs/dbraw/zinc/52/55/30/455525530.db2.gz JKFGRHKIQBGTMS-AWEZNQCLSA-N 1 0 336.501 3.024 20 70 EGIDRO [NH3+]Cc1ccc(C(=O)N2CCC(C(F)(F)F)(C(F)(F)F)C2)cc1 ZINC000161083053 455530492 /nfs/dbraw/zinc/53/04/92/455530492.db2.gz WCEADNVYIQPCAU-UHFFFAOYSA-N 1 0 340.267 3.102 20 70 EGIDRO Cc1ccc(C(=O)N[C@H]2CC[N@@H+]3CCCC[C@H]23)c(Br)c1 ZINC000161110738 455534788 /nfs/dbraw/zinc/53/47/88/455534788.db2.gz SPURHDWPZOQUFI-LSDHHAIUSA-N 1 0 337.261 3.114 20 70 EGIDRO COc1ccc2c(c1)[C@H]([NH2+]CCCc1nnc3n1CCCCC3)CC2 ZINC000161147039 455540397 /nfs/dbraw/zinc/54/03/97/455540397.db2.gz ZNLWTMJWWDUHQK-GOSISDBHSA-N 1 0 340.471 3.223 20 70 EGIDRO Cc1ccc(C(=O)NCCCCn2ccnc2)c(Br)c1 ZINC000161158105 455541061 /nfs/dbraw/zinc/54/10/61/455541061.db2.gz IIAXFSOCTXKHDF-UHFFFAOYSA-N 1 0 336.233 3.164 20 70 EGIDRO C[C@]1(C(=O)NCC2(c3cccc(C(F)(F)F)c3)CCC2)CC[NH2+]C1 ZINC000161175504 455544051 /nfs/dbraw/zinc/54/40/51/455544051.db2.gz DUZDWCDLQBSZIJ-INIZCTEOSA-N 1 0 340.389 3.243 20 70 EGIDRO [NH3+][C@H]1CCCCCC[C@H]1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000161203895 455548004 /nfs/dbraw/zinc/54/80/04/455548004.db2.gz IOGBGXCDXPLGJK-MNOVXSKESA-N 1 0 349.422 3.118 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N(C)CCc1ccc(Br)cc1 ZINC000161210311 455548877 /nfs/dbraw/zinc/54/88/77/455548877.db2.gz JAYHZMWLPFUSLO-UHFFFAOYSA-N 1 0 341.293 3.215 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(O[C@@H]2CCCC[C@H]2O)cc1 ZINC000161234018 455551445 /nfs/dbraw/zinc/55/14/45/455551445.db2.gz SLGJYXPXLKDPCC-IAGOWNOFSA-N 1 0 334.460 3.073 20 70 EGIDRO Cc1cc(C)cc(OCC[NH2+]C2CCN(C(=O)c3ccco3)CC2)c1 ZINC000161256305 455553159 /nfs/dbraw/zinc/55/31/59/455553159.db2.gz NJEHCQYMUQBGBX-UHFFFAOYSA-N 1 0 342.439 3.170 20 70 EGIDRO CC[NH+](CC)[C@H](CNC(=O)N[C@@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000161256352 455553248 /nfs/dbraw/zinc/55/32/48/455553248.db2.gz LEMHPRJQMKYTRR-QZTJIDSGSA-N 1 0 347.503 3.326 20 70 EGIDRO COc1ccc([C@@H](NC(=O)[C@@H](C)[NH3+])c2ccccc2Cl)c(C)c1 ZINC000161272149 455554780 /nfs/dbraw/zinc/55/47/80/455554780.db2.gz QKEMSFJLDCJHKZ-SJKOYZFVSA-N 1 0 332.831 3.210 20 70 EGIDRO Cc1ccc(C[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)cn1 ZINC000161287427 455555386 /nfs/dbraw/zinc/55/53/86/455555386.db2.gz POUIRPPQTRYMSU-UHFFFAOYSA-N 1 0 327.447 3.326 20 70 EGIDRO COc1ccc(C)cc1-c1csc(NC(=O)[C@]2(C)CCC[NH2+]C2)n1 ZINC000161314359 455558555 /nfs/dbraw/zinc/55/85/55/455558555.db2.gz CGIFIGDHRPSNQY-GOSISDBHSA-N 1 0 345.468 3.455 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cc3cc(Br)ccc3o2)C1 ZINC000161319548 455558943 /nfs/dbraw/zinc/55/89/43/455558943.db2.gz XOLKDOPPBQUWBD-NEPJUHHUSA-N 1 0 337.217 3.195 20 70 EGIDRO COCc1cc([C@@H](C)[NH2+]C[C@@H](O)c2cccc(OC)c2)ccc1OC ZINC000161347198 455561116 /nfs/dbraw/zinc/56/11/16/455561116.db2.gz GGKVCCCYOQRWOC-AUUYWEPGSA-N 1 0 345.439 3.234 20 70 EGIDRO COc1cccc([C@@H](CNC(=O)c2ccc(C(C)C)nc2)[NH+](C)C)c1 ZINC000161393868 455565547 /nfs/dbraw/zinc/56/55/47/455565547.db2.gz HSXWJBGSODZLBM-LJQANCHMSA-N 1 0 341.455 3.246 20 70 EGIDRO CCCn1nc(C)c(C(=O)NC[C@H](c2cccs2)[NH+](C)C)c1C ZINC000161392939 455565966 /nfs/dbraw/zinc/56/59/66/455565966.db2.gz GURJZTDNINSVDS-CQSZACIVSA-N 1 0 334.489 3.004 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H]2CCc3c2cccc3C)c1 ZINC000161408626 455567480 /nfs/dbraw/zinc/56/74/80/455567480.db2.gz VGOFDOZPUUOPBY-IFXJQAMLSA-N 1 0 344.480 3.241 20 70 EGIDRO CO[C@@H](CNC(=O)C[C@H](C)C1CC[NH2+]CC1)c1cccc(Cl)c1 ZINC000161411886 455568089 /nfs/dbraw/zinc/56/80/89/455568089.db2.gz HFYVJPJHPKWDOK-GUYCJALGSA-N 1 0 338.879 3.170 20 70 EGIDRO CC[C@@H]1CCCC[C@H]1[NH2+]CCOc1ccc(S(C)(=O)=O)cc1 ZINC000161423354 455569679 /nfs/dbraw/zinc/56/96/79/455569679.db2.gz NNVZNRFJANDULN-RHSMWYFYSA-N 1 0 325.474 3.027 20 70 EGIDRO Cc1nc(C)c(-c2csc(NC(=O)[C@@]3(C)CCC[NH2+]C3)n2)s1 ZINC000161472212 455572712 /nfs/dbraw/zinc/57/27/12/455572712.db2.gz IYCFKMYFVUEUOI-HNNXBMFYSA-N 1 0 336.486 3.212 20 70 EGIDRO Cc1ccc(C(=O)CC[NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)cc1 ZINC000161479800 455573736 /nfs/dbraw/zinc/57/37/36/455573736.db2.gz MUQRKBUYJOUZIN-AWEZNQCLSA-N 1 0 338.407 3.250 20 70 EGIDRO CCn1cc(CN(CC(=O)Nc2ccc(F)cc2)C(C)(C)C)cn1 ZINC000161474865 455574017 /nfs/dbraw/zinc/57/40/17/455574017.db2.gz ATGYZZXFUBSVGY-UHFFFAOYSA-N 1 0 332.423 3.281 20 70 EGIDRO CC(=O)NC1CCC([NH2+]Cc2ccnc(O[C@@H](C)CC(C)C)c2)CC1 ZINC000161500316 455575391 /nfs/dbraw/zinc/57/53/91/455575391.db2.gz UFNYPKRMCPFSHH-MNNVXMFVSA-N 1 0 347.503 3.432 20 70 EGIDRO COc1ccc(CNC(=O)c2cccn2C2CC[NH2+]CC2)cc1Cl ZINC000161493888 455575478 /nfs/dbraw/zinc/57/54/78/455575478.db2.gz SGWQYIFNTDRLQS-UHFFFAOYSA-N 1 0 347.846 3.005 20 70 EGIDRO CC1CCC([NH+]2CCN(CC(=O)N(C)[C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000217213894 456031537 /nfs/dbraw/zinc/03/15/37/456031537.db2.gz XGGUPDBTNSHNNF-PCODVIEZSA-N 1 0 349.563 3.220 20 70 EGIDRO Cc1ccc(C)n1-c1sccc1C(=O)NCC(C)(C)C[NH+](C)C ZINC000218313479 456034731 /nfs/dbraw/zinc/03/47/31/456034731.db2.gz YYZROMGRCCJRNO-UHFFFAOYSA-N 1 0 333.501 3.473 20 70 EGIDRO Fc1cc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)ccc1-n1ccnc1 ZINC000159605153 534440972 /nfs/dbraw/zinc/44/09/72/534440972.db2.gz MXCYHHQRIIGLGA-OLMNPRSZSA-N 1 0 327.403 3.059 20 70 EGIDRO O=C(Cc1csc(-c2ccoc2)n1)NCC[NH2+]C1CCCCCC1 ZINC000159669367 534748541 /nfs/dbraw/zinc/74/85/41/534748541.db2.gz UMFUGLZMJXEWAC-UHFFFAOYSA-N 1 0 347.484 3.374 20 70 EGIDRO CCOCCC1(CNC(=O)NCc2cccc(C[NH+](C)C)c2)CCC1 ZINC000159903283 528621812 /nfs/dbraw/zinc/62/18/12/528621812.db2.gz WSVZGSNEZFYRKS-UHFFFAOYSA-N 1 0 347.503 3.144 20 70 EGIDRO CC(C)Cc1ccc(CC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159815002 528644009 /nfs/dbraw/zinc/64/40/09/528644009.db2.gz DPGYIMPZHQEEFJ-UHFFFAOYSA-N 1 0 328.500 3.418 20 70 EGIDRO CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(Oc2cc(C)[nH]n2)cc1 ZINC000159501048 529008830 /nfs/dbraw/zinc/00/88/30/529008830.db2.gz XXBQGFVOEOKHGC-INIZCTEOSA-N 1 0 328.416 3.323 20 70 EGIDRO C[C@H](CC(=O)Nc1ccccc1CN1CCOCC1)c1ccncc1 ZINC000160166189 546944387 /nfs/dbraw/zinc/94/43/87/546944387.db2.gz UEJNQIXPIIFNLL-MRXNPFEDSA-N 1 0 339.439 3.046 20 70 EGIDRO CN1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H](c2ccccc2)C1 ZINC000216740399 574770415 /nfs/dbraw/zinc/77/04/15/574770415.db2.gz GZUXNKXGOKACTC-OAQYLSRUSA-N 1 0 332.451 3.361 20 70 EGIDRO CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000160927112 529393641 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CC(C)(C)C(=O)N1CCC(C[NH2+][C@](C)(CO)C2CCCCC2)CC1 ZINC000159790446 307879745 /nfs/dbraw/zinc/87/97/45/307879745.db2.gz OVRBYCSEKUPGIC-HXUWFJFHSA-N 1 0 338.536 3.192 20 70 EGIDRO COc1ccc(C)cc1CNc1ccc(OC2CC[NH+](C)CC2)nc1 ZINC000160167909 307885650 /nfs/dbraw/zinc/88/56/50/307885650.db2.gz OFWIVQXJJSCMCG-UHFFFAOYSA-N 1 0 341.455 3.484 20 70 EGIDRO C[C@@H](CCn1cccn1)Nc1ccc(CC[NH+]2CCSCC2)cc1 ZINC000159437705 533697417 /nfs/dbraw/zinc/69/74/17/533697417.db2.gz ODZPQVZEBUWOCR-KRWDZBQOSA-N 1 0 344.528 3.365 20 70 EGIDRO COCCN(C)CC[NH2+][C@@H](C)c1sc(Cc2ccccc2)nc1C ZINC000159383207 455373517 /nfs/dbraw/zinc/37/35/17/455373517.db2.gz AKTNCYFIXZIHFY-HNNXBMFYSA-N 1 0 347.528 3.271 20 70 EGIDRO O=C(NCCc1cc2ccccc2[nH]1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000159508767 455381028 /nfs/dbraw/zinc/38/10/28/455381028.db2.gz LOYOAUKNBWFMTL-QGZVFWFLSA-N 1 0 339.483 3.481 20 70 EGIDRO CCc1cnc(C[N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)s1 ZINC000159972921 455419275 /nfs/dbraw/zinc/41/92/75/455419275.db2.gz HXDDEZNXSRLKND-UHFFFAOYSA-N 1 0 337.533 3.422 20 70 EGIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@@H](COCc1ccccc1)c1ccccc1 ZINC000159961094 455419501 /nfs/dbraw/zinc/41/95/01/455419501.db2.gz ICIJZNRAVOPSOO-UXHICEINSA-N 1 0 338.451 3.203 20 70 EGIDRO CC[C@@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(Br)cc1 ZINC000160048450 455423778 /nfs/dbraw/zinc/42/37/78/455423778.db2.gz OGJKZOGOUHZOMC-IJLUTSLNSA-N 1 0 327.266 3.403 20 70 EGIDRO COc1ccccc1[C@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000160375997 455453104 /nfs/dbraw/zinc/45/31/04/455453104.db2.gz FMHQNQVZONDEMF-PKOBYXMFSA-N 1 0 338.451 3.491 20 70 EGIDRO CC(C)CN(CC[NH+](C)C)C(=O)N[C@H]1CCO[C@@H](c2ccccc2)C1 ZINC000160758752 455496385 /nfs/dbraw/zinc/49/63/85/455496385.db2.gz TVEWTTHWOYLPME-RBUKOAKNSA-N 1 0 347.503 3.136 20 70 EGIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)N[C@H]1CCCSC1 ZINC000159482762 455379506 /nfs/dbraw/zinc/37/95/06/455379506.db2.gz YOBQRRHMQYLHPY-INIZCTEOSA-N 1 0 335.517 3.092 20 70 EGIDRO Cc1nn(CC(F)(F)F)c(C)c1[C@H](C)[NH2+][C@H](C)CCn1cccn1 ZINC000159498844 455380486 /nfs/dbraw/zinc/38/04/86/455380486.db2.gz SATDKWOSFJULEY-NEPJUHHUSA-N 1 0 343.397 3.388 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(OC(C)C)cc2)CC1 ZINC000159612734 455388970 /nfs/dbraw/zinc/38/89/70/455388970.db2.gz VPTVORHUEMWQTL-MRXNPFEDSA-N 1 0 333.476 3.272 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCCCn2ccnc2C)cc1 ZINC000159654643 455393394 /nfs/dbraw/zinc/39/33/94/455393394.db2.gz ROUAVUKSBOBHQP-HNNXBMFYSA-N 1 0 349.500 3.116 20 70 EGIDRO CCCCn1ncc(NC(=O)N(C)CC[C@H]2CCCC[N@@H+]2C)c1C ZINC000159777145 455402592 /nfs/dbraw/zinc/40/25/92/455402592.db2.gz MEAIPBPWMUPCAR-MRXNPFEDSA-N 1 0 335.496 3.330 20 70 EGIDRO CC[N@H+](CC1CCN(c2ccccn2)CC1)[C@H](C)C(=O)OC(C)(C)C ZINC000160071757 455425849 /nfs/dbraw/zinc/42/58/49/455425849.db2.gz BZNJAZSAQJQJPX-MRXNPFEDSA-N 1 0 347.503 3.350 20 70 EGIDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)c1ccc(F)c(Cl)c1 ZINC000160111360 455429658 /nfs/dbraw/zinc/42/96/58/455429658.db2.gz MEKQGHFLIZRWMT-UHFFFAOYSA-N 1 0 335.810 3.078 20 70 EGIDRO CCC[N@H+](Cc1c(C)nn(CCC(=O)OC)c1C)Cc1ccccc1 ZINC000160477567 455463656 /nfs/dbraw/zinc/46/36/56/455463656.db2.gz UPIMTZBOMVTYMD-UHFFFAOYSA-N 1 0 343.471 3.475 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1-c1nc(C(C)C)no1 ZINC000160478712 455464348 /nfs/dbraw/zinc/46/43/48/455464348.db2.gz KRNIYWOCTRDISQ-UHFFFAOYSA-N 1 0 330.432 3.107 20 70 EGIDRO CN(CC(=O)N[C@@H]1CCOC2(CCCCC2)C1)Cc1ccccc1 ZINC000160528622 455469865 /nfs/dbraw/zinc/46/98/65/455469865.db2.gz RLBDIYYXECLLOJ-GOSISDBHSA-N 1 0 330.472 3.117 20 70 EGIDRO CCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)cc1OCC ZINC000160556382 455474062 /nfs/dbraw/zinc/47/40/62/455474062.db2.gz XXCVRVSEPXAJSB-XJKSGUPXSA-N 1 0 344.459 3.050 20 70 EGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2ccc(Cl)nc2C)c1 ZINC000160595853 455478157 /nfs/dbraw/zinc/47/81/57/455478157.db2.gz OODMWELYADUNHR-UHFFFAOYSA-N 1 0 331.847 3.425 20 70 EGIDRO CCC(CC)CNC(=O)N(C)C1CC[NH+](CCc2ccccn2)CC1 ZINC000160607304 455479020 /nfs/dbraw/zinc/47/90/20/455479020.db2.gz DZGFEEWKMRUXFC-UHFFFAOYSA-N 1 0 346.519 3.166 20 70 EGIDRO CCN(C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1)[C@H](C)c1ccc(F)cc1 ZINC000160618045 455481205 /nfs/dbraw/zinc/48/12/05/455481205.db2.gz CESQOWHXCYNCQU-RDTXWAMCSA-N 1 0 333.451 3.403 20 70 EGIDRO CCc1nn(C)c(CC)c1C[NH2+]C1CCN(c2ccccc2)CC1 ZINC000160763834 455495577 /nfs/dbraw/zinc/49/55/77/455495577.db2.gz TYTLDJBBJABJQD-UHFFFAOYSA-N 1 0 326.488 3.304 20 70 EGIDRO Cc1nc(Cl)ccc1C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000160904864 455511508 /nfs/dbraw/zinc/51/15/08/455511508.db2.gz IOPNDQLFIUYCEX-UHFFFAOYSA-N 1 0 335.810 3.044 20 70 EGIDRO C[C@@H]([NH2+]CCOc1ccccc1Br)C1CCOCC1 ZINC000160914464 455512766 /nfs/dbraw/zinc/51/27/66/455512766.db2.gz GFJNQCXOMUMXBA-GFCCVEGCSA-N 1 0 328.250 3.233 20 70 EGIDRO COc1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1OCCC(C)C ZINC000160958182 455518212 /nfs/dbraw/zinc/51/82/12/455518212.db2.gz LOGMZSWFOIZGCG-HOTGVXAUSA-N 1 0 334.460 3.120 20 70 EGIDRO Cc1ccc(C(=O)c2ccccc2C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000160969942 455519216 /nfs/dbraw/zinc/51/92/16/455519216.db2.gz BQLCSOPKBKLKOM-IAGOWNOFSA-N 1 0 336.435 3.226 20 70 EGIDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160998568 455522600 /nfs/dbraw/zinc/52/26/00/455522600.db2.gz IWDMUYKJJYNHEU-ZYHUDNBSSA-N 1 0 338.249 3.061 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000161007156 455523380 /nfs/dbraw/zinc/52/33/80/455523380.db2.gz NGEMIXAOLUCDLR-VXGBXAGGSA-N 1 0 349.887 3.392 20 70 EGIDRO CC[C@@H]([NH2+]Cc1cccc(C(=O)N[C@@H](C)CC)c1)c1cnn(C)c1 ZINC000161049961 455527805 /nfs/dbraw/zinc/52/78/05/455527805.db2.gz XJSMKSAXNNRUGI-KBXCAEBGSA-N 1 0 328.460 3.189 20 70 EGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(CC)c2)c1 ZINC000161048058 455527911 /nfs/dbraw/zinc/52/79/11/455527911.db2.gz OEIZZPRRRGMCAN-GJZGRUSLSA-N 1 0 328.460 3.282 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)Cc2c(C)nc3ccccc3c2C)CC1 ZINC000161058315 455529117 /nfs/dbraw/zinc/52/91/17/455529117.db2.gz BFRPMJBYTJHXSZ-UHFFFAOYSA-N 1 0 339.483 3.242 20 70 EGIDRO CC[C@H](C)NC(=O)c1cccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000161071769 455529667 /nfs/dbraw/zinc/52/96/67/455529667.db2.gz IHWCJRDNHOAYQT-BXWFABGCSA-N 1 0 331.504 3.035 20 70 EGIDRO CC(C)Cc1ccc(C(=O)CCC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000161098597 455533029 /nfs/dbraw/zinc/53/30/29/455533029.db2.gz MLHSYFGKBXXFJN-MSOLQXFVSA-N 1 0 330.472 3.234 20 70 EGIDRO C[N@H+](CCCNC(=O)c1ccnc(Cl)c1F)Cc1ccccc1 ZINC000161100199 455533166 /nfs/dbraw/zinc/53/31/66/455533166.db2.gz LXLSAPNXGSOXPU-UHFFFAOYSA-N 1 0 335.810 3.126 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2c[nH]cc2-c2ccc(F)cc2)CC1 ZINC000161111278 455534815 /nfs/dbraw/zinc/53/48/15/455534815.db2.gz BZZJEWFXABZVGG-UHFFFAOYSA-N 1 0 329.419 3.283 20 70 EGIDRO C[C@@H](C(=O)NC[C@H](C)Oc1ccc(F)cc1)[C@H]([NH3+])c1ccccc1 ZINC000161123414 455537143 /nfs/dbraw/zinc/53/71/43/455537143.db2.gz UCIOHYNLWWEMSY-IYOUNJFTSA-N 1 0 330.403 3.045 20 70 EGIDRO CC[C@@H](C)c1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)on1 ZINC000161182980 455545445 /nfs/dbraw/zinc/54/54/45/455545445.db2.gz RKVNJHYIEJVDTO-WBMJQRKESA-N 1 0 333.407 3.360 20 70 EGIDRO CC(C)c1nn(-c2ccccc2)cc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000161199964 455547631 /nfs/dbraw/zinc/54/76/31/455547631.db2.gz PVNVBMDUFSGCOZ-UHFFFAOYSA-N 1 0 340.471 3.131 20 70 EGIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000161234311 455551584 /nfs/dbraw/zinc/55/15/84/455551584.db2.gz IQAFSFYQXOGRDD-AWEZNQCLSA-N 1 0 346.862 3.000 20 70 EGIDRO Cc1ccc(-n2nc(C(C)C)cc2NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000161296552 455556800 /nfs/dbraw/zinc/55/68/00/455556800.db2.gz MXEDJJGPEJWJTK-HNNXBMFYSA-N 1 0 326.444 3.242 20 70 EGIDRO Cc1ccc(NC(=O)CC[NH2+]C(C)C)cc1OCC1CCOCC1 ZINC000161374029 455563946 /nfs/dbraw/zinc/56/39/46/455563946.db2.gz YJUNIBYBSQZJAS-UHFFFAOYSA-N 1 0 334.460 3.127 20 70 EGIDRO C[C@H](CNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1)Oc1cccc(Cl)c1 ZINC000161399900 455566840 /nfs/dbraw/zinc/56/68/40/455566840.db2.gz XACDNRQJPZYLAJ-RBSFLKMASA-N 1 0 338.879 3.249 20 70 EGIDRO CN(CCC[NH+]1CCCCC1)Cc1cc(Br)cn1C ZINC000161410261 455568028 /nfs/dbraw/zinc/56/80/28/455568028.db2.gz VVZAHVXWDUVZKD-UHFFFAOYSA-N 1 0 328.298 3.095 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H](C)CSC(C)(C)C)c1 ZINC000161445304 455571378 /nfs/dbraw/zinc/57/13/78/455571378.db2.gz YCADQJMZUULOIH-CHWSQXEVSA-N 1 0 344.546 3.166 20 70 EGIDRO COC(=O)c1cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)ccc1C ZINC000161488790 455574325 /nfs/dbraw/zinc/57/43/25/455574325.db2.gz MYVKDWPYJMBXRY-QGZVFWFLSA-N 1 0 326.396 3.200 20 70 EGIDRO C[C@H]([NH2+]CCCNC(=O)C1CCC1)c1cccc(Br)c1 ZINC000159760512 533851879 /nfs/dbraw/zinc/85/18/79/533851879.db2.gz UOUQADPNGKSRBU-LBPRGKRZSA-N 1 0 339.277 3.406 20 70 EGIDRO C[C@@H](CNC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)Oc1ccccc1 ZINC000159934474 533921603 /nfs/dbraw/zinc/92/16/03/533921603.db2.gz BPYDVUZEFXEGJB-ZWKOTPCHSA-N 1 0 345.487 3.114 20 70 EGIDRO COc1ccccc1CCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000159881997 534039780 /nfs/dbraw/zinc/03/97/80/534039780.db2.gz NHSACYUWPKRZHI-UHFFFAOYSA-N 1 0 347.503 3.001 20 70 EGIDRO CCCCOc1c(Cl)cc(C(=O)N2CCC[C@@H]2C[NH3+])cc1OC ZINC000160340874 528653544 /nfs/dbraw/zinc/65/35/44/528653544.db2.gz JYXLZOZVRXOSJF-CYBMUJFWSA-N 1 0 340.851 3.091 20 70 EGIDRO CC[C@@H]([NH2+][C@H]1CCCSC1)c1ccccc1OCC(=O)N(C)C ZINC000159615065 529207401 /nfs/dbraw/zinc/20/74/01/529207401.db2.gz RPILIKASDXKWRR-GOEBONIOSA-N 1 0 336.501 3.090 20 70 EGIDRO CCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3nc(C)nn3C2)cc1OCC ZINC000160556523 537706457 /nfs/dbraw/zinc/70/64/57/537706457.db2.gz XXCVRVSEPXAJSB-CJNGLKHVSA-N 1 0 344.459 3.050 20 70 EGIDRO CCOc1cc(C[NH2+]Cc2ccnn2CC)ccc1OC(F)F ZINC000160037535 546943540 /nfs/dbraw/zinc/94/35/40/546943540.db2.gz QGGLFLUZRWWEJX-UHFFFAOYSA-N 1 0 325.359 3.193 20 70 EGIDRO O=C([C@@H]1CC[C@H]2CCCC[C@@H]2C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000160286843 546946090 /nfs/dbraw/zinc/94/60/90/546946090.db2.gz SOXGKURBUVUAOW-KZNAEPCWSA-N 1 0 327.472 3.337 20 70 EGIDRO CN(CC1(O)CCCC1)C(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000159475858 529855711 /nfs/dbraw/zinc/85/57/11/529855711.db2.gz WEHRLDRMDNKTLD-UHFFFAOYSA-N 1 0 344.499 3.052 20 70 EGIDRO COc1ccc([C@H](C[NH2+]Cc2cn(C)nc2C)N2CCCCC2)cc1 ZINC000159582307 533184445 /nfs/dbraw/zinc/18/44/45/533184445.db2.gz XYXXYROOOAINLX-FQEVSTJZSA-N 1 0 342.487 3.054 20 70 EGIDRO C[C@H]1CCN(C(=O)c2cccc3nc[nH]c32)CC[N@@H+]1Cc1ccccc1 ZINC000159749067 533632378 /nfs/dbraw/zinc/63/23/78/533632378.db2.gz LLWQLYRMSGGHGT-INIZCTEOSA-N 1 0 348.450 3.300 20 70 EGIDRO CC(C)OCCC[NH+]1CCC(C(=O)Nc2ccc(Cl)cn2)CC1 ZINC000159386043 140937924 /nfs/dbraw/zinc/93/79/24/140937924.db2.gz DKEMVQQKMXUTLG-UHFFFAOYSA-N 1 0 339.867 3.201 20 70 EGIDRO CCOc1ccc([C@H](C)[NH2+]C2CCC(NC(C)=O)CC2)cc1OC ZINC000161245786 152773091 /nfs/dbraw/zinc/77/30/91/152773091.db2.gz IZEJRGJYBKHQMD-IGEOTXOUSA-N 1 0 334.460 3.192 20 70 EGIDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1Oc1ccccc1 ZINC000159409631 225211872 /nfs/dbraw/zinc/21/18/72/225211872.db2.gz CWAHFICBTIFOLA-GJZGRUSLSA-N 1 0 328.412 3.119 20 70 EGIDRO c1sc(-c2ccccn2)nc1C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000159642368 225253567 /nfs/dbraw/zinc/25/35/67/225253567.db2.gz IHXGRSCMPYZQRV-IMJJTQAJSA-N 1 0 327.453 3.252 20 70 EGIDRO C[C@H](C[NH2+][C@H](C)[C@@H]1CCOC1)Oc1ccccc1Br ZINC000160374521 225399467 /nfs/dbraw/zinc/39/94/67/225399467.db2.gz JANAALFGUZDKLF-JHJVBQTASA-N 1 0 328.250 3.231 20 70 EGIDRO Cc1c(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)cnn1C ZINC000161009003 225526781 /nfs/dbraw/zinc/52/67/81/225526781.db2.gz DBYLTKMKYFOVDW-UHFFFAOYSA-N 1 0 349.360 3.223 20 70 EGIDRO O=C(C[C@H]1CCC[NH2+]1)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000159961222 264867269 /nfs/dbraw/zinc/86/72/69/264867269.db2.gz ICIJZNRAVOPSOO-WOJBJXKFSA-N 1 0 338.451 3.203 20 70 EGIDRO CC(C)[N@@H+]1CCC[C@@H](CNC(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160790861 275195972 /nfs/dbraw/zinc/19/59/72/275195972.db2.gz LCVULLJWJCGXNX-IBGZPJMESA-N 1 0 343.515 3.429 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(-c3cc(F)c(F)c(F)c3)cc2)C1 ZINC000160809769 275196094 /nfs/dbraw/zinc/19/60/94/275196094.db2.gz XVVMPGHTAKDBCX-AWEZNQCLSA-N 1 0 334.341 3.205 20 70 EGIDRO C[C@@H](CNC(=O)N1CCc2cccc(F)c2C1)C[NH+]1CCCCC1 ZINC000159756023 307879092 /nfs/dbraw/zinc/87/90/92/307879092.db2.gz MDNSBMSPBUYNDD-HNNXBMFYSA-N 1 0 333.451 3.015 20 70 EGIDRO CC(C)C(=O)NCCC[NH2+][C@@H]1CCc2c1cccc2Br ZINC000159983991 307883117 /nfs/dbraw/zinc/88/31/17/307883117.db2.gz PBTGPZQEDBIWBW-OAHLLOKOSA-N 1 0 339.277 3.188 20 70 EGIDRO CCc1nc(CNc2ccc(OC3CC[NH+](C)CC3)nc2)cs1 ZINC000160087240 307884325 /nfs/dbraw/zinc/88/43/25/307884325.db2.gz DZPQCRHQRMVCHM-UHFFFAOYSA-N 1 0 332.473 3.186 20 70 EGIDRO CCCOc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC000160489973 307890472 /nfs/dbraw/zinc/89/04/72/307890472.db2.gz UHLHLRQAALGPSU-UHFFFAOYSA-N 1 0 326.440 3.467 20 70 EGIDRO CNS(=O)(=O)c1cccc(C[NH2+][C@@H](C)c2cc(C)ccc2C)c1 ZINC000160742203 307894266 /nfs/dbraw/zinc/89/42/66/307894266.db2.gz FEPNJNQCJCDIAT-HNNXBMFYSA-N 1 0 332.469 3.062 20 70 EGIDRO C[C@H](C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C)c1c(F)cccc1F ZINC000161075178 307898144 /nfs/dbraw/zinc/89/81/44/307898144.db2.gz OGWFYOOTCAZTTH-HOCLYGCPSA-N 1 0 346.421 3.357 20 70 EGIDRO COc1ccc(COCCC[NH2+][C@H](C)c2cnc(C)nc2C)cc1 ZINC000161072684 533718443 /nfs/dbraw/zinc/71/84/43/533718443.db2.gz KUTPDHUXNQKBCX-CQSZACIVSA-N 1 0 329.444 3.360 20 70 EGIDRO CNS(=O)(=O)c1ccc([C@H](C)[NH2+]CCc2cc(C)cc(C)c2)cc1 ZINC000159511683 455381777 /nfs/dbraw/zinc/38/17/77/455381777.db2.gz WMRZAVLSTGCFTI-INIZCTEOSA-N 1 0 346.496 3.105 20 70 EGIDRO O=C(c1cncc(-c2ccc(Cl)cc2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159608346 455389199 /nfs/dbraw/zinc/38/91/99/455389199.db2.gz IPELBHAWHINBKT-HDICACEKSA-N 1 0 341.842 3.369 20 70 EGIDRO CCCCn1ncc(NC(=O)NCc2cccc(C[NH+](C)C)c2)c1C ZINC000159622159 455390610 /nfs/dbraw/zinc/39/06/10/455390610.db2.gz KYRNJDYBAJXKLL-UHFFFAOYSA-N 1 0 343.475 3.375 20 70 EGIDRO Cc1cccc([C@H]2CCC[N@@H+]2CCCN2C(=O)c3ccccc3C2=O)n1 ZINC000159754856 455400919 /nfs/dbraw/zinc/40/09/19/455400919.db2.gz JZGLOQPWMRCHCL-LJQANCHMSA-N 1 0 349.434 3.213 20 70 EGIDRO CC(C)(C)NC(=O)C[NH2+]C1CC(c2ccc(Br)cc2)C1 ZINC000159872494 455411767 /nfs/dbraw/zinc/41/17/67/455411767.db2.gz GCATWJAJRLUWGM-UHFFFAOYSA-N 1 0 339.277 3.199 20 70 EGIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@H](C)c1ccccc1 ZINC000159786419 455403906 /nfs/dbraw/zinc/40/39/06/455403906.db2.gz ULDDFOXUHDNRLG-OAHLLOKOSA-N 1 0 331.485 3.273 20 70 EGIDRO CSC[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160425502 455457045 /nfs/dbraw/zinc/45/70/45/455457045.db2.gz FZWKVXNJTMVVBB-JZXOWHBKSA-N 1 0 349.544 3.432 20 70 EGIDRO O=C(C[NH2+][C@H]1CCSc2ccc(Cl)cc21)NCC(F)(F)F ZINC000160562235 455474659 /nfs/dbraw/zinc/47/46/59/455474659.db2.gz GHHKZEBNIZMQDR-JTQLQIEISA-N 1 0 338.782 3.145 20 70 EGIDRO [NH3+][C@@H](C(=O)N[C@@H](Cc1ccccc1)C1CC1)c1cccc(Cl)c1 ZINC000159827072 455406820 /nfs/dbraw/zinc/40/68/20/455406820.db2.gz BADUUYZUZMUEPQ-ZWKOTPCHSA-N 1 0 328.843 3.477 20 70 EGIDRO C[C@@H]1C[NH+](CCCCNc2nc(C(C)(C)C)ns2)C[C@@H](C)O1 ZINC000159915558 455415509 /nfs/dbraw/zinc/41/55/09/455415509.db2.gz NECOQNYSJMQMBY-CHWSQXEVSA-N 1 0 326.510 3.137 20 70 EGIDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)[C@H](OC(C)(C)C)c3ccccc3)CC[C@@H]21 ZINC000160089933 455427377 /nfs/dbraw/zinc/42/73/77/455427377.db2.gz VSWQYDMLGDUDRQ-CEXWTWQISA-N 1 0 344.499 3.486 20 70 EGIDRO CSC[C@H](CCO)[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000160194148 455437359 /nfs/dbraw/zinc/43/73/59/455437359.db2.gz KGXIAHMUTXDMLD-HZMBPMFUSA-N 1 0 348.281 3.279 20 70 EGIDRO C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCOC3(CCCCC3)C2)c1 ZINC000160326425 455448744 /nfs/dbraw/zinc/44/87/44/455448744.db2.gz JFODAMLTFWEAFW-GOSISDBHSA-N 1 0 330.472 3.360 20 70 EGIDRO COc1cc(OC)c([C@H](C)[NH2+][C@@H](CCO)CSC)cc1Cl ZINC000160362929 455450477 /nfs/dbraw/zinc/45/04/77/455450477.db2.gz XOIALCACNPYNMC-QWRGUYRKSA-N 1 0 333.881 3.122 20 70 EGIDRO COc1cc(OC)c([C@@H](C)[NH2+][C@@H](CCO)CSC)cc1Cl ZINC000160363075 455450882 /nfs/dbraw/zinc/45/08/82/455450882.db2.gz XOIALCACNPYNMC-MNOVXSKESA-N 1 0 333.881 3.122 20 70 EGIDRO COc1cc(C[NH2+][C@@H]2CCOC(C)(C)C2)c(SC)cc1OC ZINC000160428821 455458049 /nfs/dbraw/zinc/45/80/49/455458049.db2.gz YSJBDJYYTUPBGU-CYBMUJFWSA-N 1 0 325.474 3.473 20 70 EGIDRO COCC[N@H+](Cc1ccccc1)Cc1ccccc1N1CCOCC1 ZINC000160450578 455460063 /nfs/dbraw/zinc/46/00/63/455460063.db2.gz QOLAOSPSKHLDBW-UHFFFAOYSA-N 1 0 340.467 3.172 20 70 EGIDRO CN(CC(=O)N[C@H]1CCOC2(CCCCC2)C1)Cc1ccccc1 ZINC000160528741 455469301 /nfs/dbraw/zinc/46/93/01/455469301.db2.gz RLBDIYYXECLLOJ-SFHVURJKSA-N 1 0 330.472 3.117 20 70 EGIDRO CC[C@@H](C)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160642270 455482659 /nfs/dbraw/zinc/48/26/59/455482659.db2.gz QHNQJYCITRCPPB-APWZRJJASA-N 1 0 329.488 3.481 20 70 EGIDRO CSc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@]3(O)CCCC[C@@H]3C2)c1 ZINC000160651143 455483823 /nfs/dbraw/zinc/48/38/23/455483823.db2.gz OBAOEDDJNPMEQY-QMTMVMCOSA-N 1 0 348.512 3.363 20 70 EGIDRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000160712255 455490697 /nfs/dbraw/zinc/49/06/97/455490697.db2.gz ZLRGCQGNMIIZTJ-IBGZPJMESA-N 1 0 344.503 3.145 20 70 EGIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCC[C@H]1c1ccco1 ZINC000160746562 455494804 /nfs/dbraw/zinc/49/48/04/455494804.db2.gz BRQKRVAWITVGCB-SJORKVTESA-N 1 0 331.460 3.391 20 70 EGIDRO C[C@@H]1C[C@@H]([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CN1C1CC1 ZINC000160806667 455500742 /nfs/dbraw/zinc/50/07/42/455500742.db2.gz GAZNWNMPIMPHEJ-CZUORRHYSA-N 1 0 335.879 3.274 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)NCC2(C3CC3)CC2)CC1 ZINC000160902194 455511101 /nfs/dbraw/zinc/51/11/01/455511101.db2.gz MBSYDAGOQYPZFA-HNNXBMFYSA-N 1 0 342.487 3.096 20 70 EGIDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn(CCC(C)C)n2)C1 ZINC000160950998 455517491 /nfs/dbraw/zinc/51/74/91/455517491.db2.gz DKXIRNQSNGAPDN-INIZCTEOSA-N 1 0 335.496 3.125 20 70 EGIDRO CO[C@H]1CCN(Cc2ccc(Cl)c(Br)c2)[C@H](C[NH3+])C1 ZINC000160992411 455521566 /nfs/dbraw/zinc/52/15/66/455521566.db2.gz DGGXYCNJRPUGQG-RYUDHWBXSA-N 1 0 347.684 3.041 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2cccc(Oc3ccncc3)c2)CC1 ZINC000161006413 455522920 /nfs/dbraw/zinc/52/29/20/455522920.db2.gz DCKUMFKSCWYDMO-UHFFFAOYSA-N 1 0 339.439 3.336 20 70 EGIDRO C[C@H]([NH2+]C[C@@H]1CCc2ccccc21)c1ccc(S(C)(=O)=O)cc1 ZINC000161003753 455523303 /nfs/dbraw/zinc/52/33/03/455523303.db2.gz MFJPDWWRXDFFQX-YOEHRIQHSA-N 1 0 329.465 3.471 20 70 EGIDRO COc1cc(C2(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)CCCC2)ccc1C ZINC000161046067 455526945 /nfs/dbraw/zinc/52/69/45/455526945.db2.gz MJMJKCGKKAXJIP-IAGOWNOFSA-N 1 0 330.472 3.202 20 70 EGIDRO CCN(Cc1cnn(C)c1)[C@H](C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000161118956 455536011 /nfs/dbraw/zinc/53/60/11/455536011.db2.gz LKHDCGVCEOUFPA-GDBMZVCRSA-N 1 0 346.500 3.056 20 70 EGIDRO CC[C@@H]([NH2+]CC1(c2ccc(Br)cc2)CCCC1)C(N)=O ZINC000161219963 455549515 /nfs/dbraw/zinc/54/95/15/455549515.db2.gz NFJFTTGWCVEDQF-CQSZACIVSA-N 1 0 339.277 3.114 20 70 EGIDRO C[C@@H]1CN(C(=O)C2([NH3+])Cc3ccccc3C2)CC[C@H]1c1ccccc1 ZINC000161232860 455550367 /nfs/dbraw/zinc/55/03/67/455550367.db2.gz RXQMWLDOXJVTJZ-OXQOHEQNSA-N 1 0 334.463 3.135 20 70 EGIDRO C[N@H+](CCCc1cc(-c2ccccc2)n[nH]1)Cc1ccc(C(N)=O)cc1 ZINC000161235871 455551053 /nfs/dbraw/zinc/55/10/53/455551053.db2.gz IPWNOHZTISBZHX-UHFFFAOYSA-N 1 0 348.450 3.240 20 70 EGIDRO CCc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000161235119 455551550 /nfs/dbraw/zinc/55/15/50/455551550.db2.gz NUCHRHMPIYEPQW-HZPDHXFCSA-N 1 0 343.496 3.301 20 70 EGIDRO COc1ccc([C@H](NC(=O)[C@H](C)[NH3+])c2ccccc2Cl)c(C)c1 ZINC000161271758 455554882 /nfs/dbraw/zinc/55/48/82/455554882.db2.gz QKEMSFJLDCJHKZ-SJCJKPOMSA-N 1 0 332.831 3.210 20 70 EGIDRO COc1cccc([C@H](O)C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2C)c1 ZINC000161303343 455557173 /nfs/dbraw/zinc/55/71/73/455557173.db2.gz MXKYAAPXKHGWPR-KBXCAEBGSA-N 1 0 345.439 3.405 20 70 EGIDRO CC[C@@H]([NH2+]C[C@@H](O)c1cccc(OC)c1)c1ccc2c(c1)OCCO2 ZINC000161314574 455558232 /nfs/dbraw/zinc/55/82/32/455558232.db2.gz ICLHWHOMAYQNKN-QZTJIDSGSA-N 1 0 343.423 3.241 20 70 EGIDRO COCc1cc([C@H](C)[NH2+]C[C@H](O)c2cccc(OC)c2)ccc1OC ZINC000161346842 455561321 /nfs/dbraw/zinc/56/13/21/455561321.db2.gz GGKVCCCYOQRWOC-LIRRHRJNSA-N 1 0 345.439 3.234 20 70 EGIDRO CC(C)C[C@@H]([NH3+])C(=O)Nc1nnc(Cc2cccc(Cl)c2)s1 ZINC000161391001 455565877 /nfs/dbraw/zinc/56/58/77/455565877.db2.gz RHGOQCHVBLCCME-GFCCVEGCSA-N 1 0 338.864 3.094 20 70 EGIDRO C[C@H]1CCC[C@](CNC(=O)c2c(F)cc(F)cc2F)([NH+](C)C)C1 ZINC000161415372 455568893 /nfs/dbraw/zinc/56/88/93/455568893.db2.gz UENUZYACYMDDLX-GTNSWQLSSA-N 1 0 328.378 3.344 20 70 EGIDRO Cc1c(NC(=O)NC2CC[NH+](C(C)C)CC2)cnn1CCC(C)C ZINC000161422156 455569114 /nfs/dbraw/zinc/56/91/14/455569114.db2.gz BRTSTSACMJYTHT-UHFFFAOYSA-N 1 0 335.496 3.232 20 70 EGIDRO Cc1ccc(-c2nc(CC(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000161432566 455570696 /nfs/dbraw/zinc/57/06/96/455570696.db2.gz UKXIJEANWDHNKJ-HUUCEWRRSA-N 1 0 329.469 3.047 20 70 EGIDRO CC[NH+](CC)Cc1ccc(CNC(=O)N[C@H](CCO)C(C)(C)C)cc1 ZINC000161500723 455575218 /nfs/dbraw/zinc/57/52/18/455575218.db2.gz MMMGBADDBYOCLU-GOSISDBHSA-N 1 0 349.519 3.125 20 70 EGIDRO C[C@@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000161502823 455576062 /nfs/dbraw/zinc/57/60/62/455576062.db2.gz JFZULUHGSYNBLC-VQIMIIECSA-N 1 0 338.451 3.240 20 70 EGIDRO C[C@H]([NH2+]C[C@H](CO)c1ccccc1)c1cccc(N2CCCC2=O)c1 ZINC000161502692 455576541 /nfs/dbraw/zinc/57/65/41/455576541.db2.gz JFZULUHGSYNBLC-QFBILLFUSA-N 1 0 338.451 3.240 20 70 EGIDRO O=C(NCc1ccc(OCc2cccc(F)c2)cc1)C1CC[NH2+]CC1 ZINC000218203486 456034699 /nfs/dbraw/zinc/03/46/99/456034699.db2.gz FGGGDWSFQYKRND-UHFFFAOYSA-N 1 0 342.414 3.021 20 70 EGIDRO C[C@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)cc1OC(F)F ZINC000159573097 533845915 /nfs/dbraw/zinc/84/59/15/533845915.db2.gz FRLILZBANOHIPY-NSHDSACASA-N 1 0 330.350 3.090 20 70 EGIDRO O=C(c1ccc(CCC(F)(F)F)cc1)N1CC[NH+](CC2CC2)CC1 ZINC000159527011 534700054 /nfs/dbraw/zinc/70/00/54/534700054.db2.gz CLVYRDQVFAGZLG-UHFFFAOYSA-N 1 0 340.389 3.349 20 70 EGIDRO CCCCNC(=O)c1ccc(CNC2CC[NH+](CCC)CC2)cc1 ZINC000160097739 528550770 /nfs/dbraw/zinc/55/07/70/528550770.db2.gz FQWLZDQDRVZDFO-UHFFFAOYSA-N 1 0 331.504 3.181 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1csc(-c2ccc(OC)cc2)n1 ZINC000160432747 528946583 /nfs/dbraw/zinc/94/65/83/528946583.db2.gz LCAVBKLLYQIGDP-UHFFFAOYSA-N 1 0 333.457 3.066 20 70 EGIDRO CC1(C)C[C@@H]([NH2+]Cc2cc3c(c(Br)c2)OCO3)CCO1 ZINC000160488148 529139782 /nfs/dbraw/zinc/13/97/82/529139782.db2.gz WRLANNBZLYSRKL-NSHDSACASA-N 1 0 342.233 3.225 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H]1CCSc3c(Cl)cccc31)CC2 ZINC000160539946 546947734 /nfs/dbraw/zinc/94/77/34/546947734.db2.gz FFDNGCBCHJHXRD-RISCZKNCSA-N 1 0 334.876 3.381 20 70 EGIDRO O=C(C[NH2+][C@@H]1CCSc2c(Cl)cccc21)NCC(F)(F)F ZINC000160612666 546948608 /nfs/dbraw/zinc/94/86/08/546948608.db2.gz HZHYJPZTQANGRN-SNVBAGLBSA-N 1 0 338.782 3.145 20 70 EGIDRO C[C@@H]([NH2+]C[C@H](C)Oc1ccccc1Br)[C@@H]1CCOC1 ZINC000160374392 533428243 /nfs/dbraw/zinc/42/82/43/533428243.db2.gz JANAALFGUZDKLF-YNEHKIRRSA-N 1 0 328.250 3.231 20 70 EGIDRO CC(C)Oc1cccc(/C=C/C(=O)N2CCC([NH2+]CC3CC3)CC2)c1 ZINC000159846749 140947608 /nfs/dbraw/zinc/94/76/08/140947608.db2.gz ZEHONIOGLYBPSZ-CMDGGOBGSA-N 1 0 342.483 3.478 20 70 EGIDRO COc1ccccc1Oc1ccc(CNC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000159536283 225234714 /nfs/dbraw/zinc/23/47/14/225234714.db2.gz CYLQAACSQJAHHV-INIZCTEOSA-N 1 0 340.423 3.103 20 70 EGIDRO Cn1cc(C(=O)NCC2([NH3+])CCCCC2)c(-c2ccccc2Cl)n1 ZINC000159764869 225274042 /nfs/dbraw/zinc/27/40/42/225274042.db2.gz RMSOPCPMEGSXHV-UHFFFAOYSA-N 1 0 346.862 3.132 20 70 EGIDRO Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000159843784 225288300 /nfs/dbraw/zinc/28/83/00/225288300.db2.gz OYLUBSWEJYGJMH-BXTJHSDWSA-N 1 0 326.488 3.307 20 70 EGIDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)c1cccc2nc[nH]c21 ZINC000159657920 225256937 /nfs/dbraw/zinc/25/69/37/225256937.db2.gz OTJSIOFAJXMJTJ-INIZCTEOSA-N 1 0 348.450 3.300 20 70 EGIDRO Cc1cc(C)cc(-c2nnc(NC(=O)C3([NH3+])CCCCC3)s2)c1 ZINC000160118285 225341612 /nfs/dbraw/zinc/34/16/12/225341612.db2.gz YMOHSHHXASXVCH-UHFFFAOYSA-N 1 0 330.457 3.422 20 70 EGIDRO [NH3+][C@@H]1CCN(C(=O)c2ccccc2Nc2ccc(OC(F)F)cc2)C1 ZINC000160206351 225362038 /nfs/dbraw/zinc/36/20/38/225362038.db2.gz LQMJAZZESRWKDX-GFCCVEGCSA-N 1 0 347.365 3.205 20 70 EGIDRO Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]C2CCC3(CC2)OCCO3)C1 ZINC000161509478 225641506 /nfs/dbraw/zinc/64/15/06/225641506.db2.gz QEAHBYWJACUNNN-GOSISDBHSA-N 1 0 348.462 3.378 20 70 EGIDRO Cc1ccc(NC(=O)C2(C[NH3+])CCCC2)cc1OCC1CCOCC1 ZINC000160275596 264870859 /nfs/dbraw/zinc/87/08/59/264870859.db2.gz PXZQMHCPAHJHSW-UHFFFAOYSA-N 1 0 346.471 3.258 20 70 EGIDRO CC(C)(C)n1ncc2c1ncnc2N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000160458230 278586694 /nfs/dbraw/zinc/58/66/94/278586694.db2.gz OQDGKKQVPCLIDS-HNNXBMFYSA-N 1 0 342.491 3.036 20 70 EGIDRO C[C@H]([NH2+][C@H]1CCSC1)c1cc2c(cc1Br)OCCO2 ZINC000160834492 279546025 /nfs/dbraw/zinc/54/60/25/279546025.db2.gz JOUHUAHDMRNZBB-UWVGGRQHSA-N 1 0 344.274 3.376 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N[C@H](C)[C@H](OC)c1ccc(Cl)cc1 ZINC000161234387 282072956 /nfs/dbraw/zinc/07/29/56/282072956.db2.gz ROBUDZMFIAULAE-DOMZBBRYSA-N 1 0 326.868 3.297 20 70 EGIDRO COc1cccc(N2CC[NH+](Cc3cccc(-n4cccn4)c3)CC2)c1 ZINC000160682204 307893431 /nfs/dbraw/zinc/89/34/31/307893431.db2.gz LBPWLEYXKUOLSA-UHFFFAOYSA-N 1 0 348.450 3.203 20 70 EGIDRO C[C@H]([NH2+]CCOCC(F)(F)F)c1cnn(Cc2ccccc2)c1 ZINC000159366812 455372549 /nfs/dbraw/zinc/37/25/49/455372549.db2.gz VGXLTMDCJGSGBC-ZDUSSCGKSA-N 1 0 327.350 3.161 20 70 EGIDRO O=C(NCC[C@H]1CC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000159648100 455392959 /nfs/dbraw/zinc/39/29/59/455392959.db2.gz GMSHTXFNASGBOP-GFCCVEGCSA-N 1 0 347.256 3.332 20 70 EGIDRO Cc1cccc([C@H]2CCCN2CC(=O)NCc2cc(F)cc(F)c2)n1 ZINC000159834710 455408425 /nfs/dbraw/zinc/40/84/25/455408425.db2.gz RNMBNQYBYAKNPW-GOSISDBHSA-N 1 0 345.393 3.122 20 70 EGIDRO Cc1cccc([C@@H]2CCCN2CC(=O)N(C)Cc2ccc(F)cc2)n1 ZINC000159873550 455411515 /nfs/dbraw/zinc/41/15/15/455411515.db2.gz MPLRUYXURPDRLL-IBGZPJMESA-N 1 0 341.430 3.325 20 70 EGIDRO C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)NC[C@H]1CCCS1 ZINC000159755548 455400310 /nfs/dbraw/zinc/40/03/10/455400310.db2.gz OELYVYGSTJCSTA-MRXNPFEDSA-N 1 0 335.517 3.092 20 70 EGIDRO NC(=O)CC1CC[NH+](Cc2ccc(-n3cnc4ccccc43)cc2)CC1 ZINC000159786776 455403600 /nfs/dbraw/zinc/40/36/00/455403600.db2.gz NVXCAXVCJKYKOL-UHFFFAOYSA-N 1 0 348.450 3.113 20 70 EGIDRO CCO[C@H]1C[C@@H]([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)C1(C)C ZINC000159794931 455404576 /nfs/dbraw/zinc/40/45/76/455404576.db2.gz JYINMCDFNAMPML-SJORKVTESA-N 1 0 338.536 3.407 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1sc(C)c(Br)c1OC ZINC000160561077 455474582 /nfs/dbraw/zinc/47/45/82/455474582.db2.gz DBUNBQWKPKZIFW-UHFFFAOYSA-N 1 0 349.294 3.075 20 70 EGIDRO COc1cc([C@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)ccc1OC(F)F ZINC000160504299 455467825 /nfs/dbraw/zinc/46/78/25/455467825.db2.gz SRXKJOSXXUTTBB-YUTCNCBUSA-N 1 0 329.387 3.498 20 70 EGIDRO C[C@H](CNC(=O)N1CCC2(CCC2)C1)[N@@H+]1CCc2ccccc2C1 ZINC000160845676 455504764 /nfs/dbraw/zinc/50/47/64/455504764.db2.gz XMDQKXYRZTYLSF-MRXNPFEDSA-N 1 0 327.472 3.019 20 70 EGIDRO CC(C)n1nccc1C(=O)Nc1nc(CN2CCC[C@H](C)C2)cs1 ZINC000160838694 455503552 /nfs/dbraw/zinc/50/35/52/455503552.db2.gz JYNXYWGJDNMAQJ-ZDUSSCGKSA-N 1 0 347.488 3.405 20 70 EGIDRO CN(Cc1ccccc1)CC(C)(C)[NH2+]Cc1ccc([S@](C)=O)cc1 ZINC000159399953 455374495 /nfs/dbraw/zinc/37/44/95/455374495.db2.gz BWUTWSLJBVBSBF-XMMPIXPASA-N 1 0 344.524 3.424 20 70 EGIDRO Cn1c(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)nc2cc(Cl)ccc21 ZINC000159614780 455389087 /nfs/dbraw/zinc/38/90/87/455389087.db2.gz HIFIPBJHASXOTA-ZLIFDBKOSA-N 1 0 331.847 3.274 20 70 EGIDRO CN(Cc1ccc(Br)c2cccnc12)[C@H](C[NH3+])C1CC1 ZINC000159700112 455396459 /nfs/dbraw/zinc/39/64/59/455396459.db2.gz ZKXHJHQEROROGR-OAHLLOKOSA-N 1 0 334.261 3.166 20 70 EGIDRO COc1ccc2cc([C@@H](C)C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)ccc2c1 ZINC000159821671 455406992 /nfs/dbraw/zinc/40/69/92/455406992.db2.gz DISBITPADNNCOK-ZMYBRWDISA-N 1 0 338.451 3.305 20 70 EGIDRO Cc1csc(-c2cccc(C(=O)NCC[NH+]3CCCCC3)c2)n1 ZINC000159889944 455413591 /nfs/dbraw/zinc/41/35/91/455413591.db2.gz HVFABCFVFJMRSH-UHFFFAOYSA-N 1 0 329.469 3.334 20 70 EGIDRO CC(C)n1c2ccc(C(=O)NCC(C)(C)[NH3+])cc2nc1C(F)(F)F ZINC000159931672 455416670 /nfs/dbraw/zinc/41/66/70/455416670.db2.gz VZLRHTFEVLZDSD-UHFFFAOYSA-N 1 0 342.365 3.103 20 70 EGIDRO O=C(NC[C@@H]1CC[N@@H+](C2CC2)C1)c1occc1-c1ccc(F)cc1 ZINC000160139732 455431546 /nfs/dbraw/zinc/43/15/46/455431546.db2.gz UZJCIUHVPQTDGL-ZDUSSCGKSA-N 1 0 328.387 3.300 20 70 EGIDRO CCOCCC[N@@H+]1CCC[C@H](CNC(=O)Nc2ccc(C)cc2)C1 ZINC000160271234 455443734 /nfs/dbraw/zinc/44/37/34/455443734.db2.gz JKGDGXNIWVHHNS-QGZVFWFLSA-N 1 0 333.476 3.255 20 70 EGIDRO CC[NH+](CC)CCOc1ccc(CN[C@H](C)c2cnccn2)cc1 ZINC000160276007 455444071 /nfs/dbraw/zinc/44/40/71/455444071.db2.gz GLVDJDCMRPSHOM-MRXNPFEDSA-N 1 0 328.460 3.048 20 70 EGIDRO Cc1ccc(-c2nc(C(=O)N3C[C@H]4CCC[C@@H](C3)[NH2+]4)cs2)cc1 ZINC000160411645 455456406 /nfs/dbraw/zinc/45/64/06/455456406.db2.gz ONJNDELXHDPHLL-GASCZTMLSA-N 1 0 327.453 3.085 20 70 EGIDRO CC[C@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCC(=O)Nc1c(C)cccc1C ZINC000160534572 455470856 /nfs/dbraw/zinc/47/08/56/455470856.db2.gz IJGCRQXWAUXDEW-YOEHRIQHSA-N 1 0 347.503 3.115 20 70 EGIDRO Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC(=O)NCC(F)(F)F ZINC000160595190 455478449 /nfs/dbraw/zinc/47/84/49/455478449.db2.gz KKGZFGQSJIIBEM-MRVPVSSYSA-N 1 0 337.411 3.078 20 70 EGIDRO CC(C)n1ccnc1CN1CCN(C(=O)c2cccc(Cl)c2)CC1 ZINC000160748405 455494907 /nfs/dbraw/zinc/49/49/07/455494907.db2.gz ZBHHBXDODLLPGA-UHFFFAOYSA-N 1 0 346.862 3.075 20 70 EGIDRO COc1ccc(CN(Cc2nncn2C)C2CCCCC2)cc1OC ZINC000160871778 455507445 /nfs/dbraw/zinc/50/74/45/455507445.db2.gz UUZWZUWCIDMIRS-UHFFFAOYSA-N 1 0 344.459 3.167 20 70 EGIDRO COc1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)ccc1OCCC(C)C ZINC000160958293 455518664 /nfs/dbraw/zinc/51/86/64/455518664.db2.gz LOGMZSWFOIZGCG-HZPDHXFCSA-N 1 0 334.460 3.120 20 70 EGIDRO CCC[N@H+](CCCS(=O)(=O)C(C)C)[C@@H]1CCc2ccccc2C1 ZINC000160987924 455521220 /nfs/dbraw/zinc/52/12/20/455521220.db2.gz AVQSRXTXLIQFQK-LJQANCHMSA-N 1 0 337.529 3.469 20 70 EGIDRO CCCC[N@H+](C)CC1CCN(C(=O)C[C@H](C)c2c(C)n[nH]c2C)CC1 ZINC000160991673 455521457 /nfs/dbraw/zinc/52/14/57/455521457.db2.gz KVNNAPNDBNIMEC-HNNXBMFYSA-N 1 0 348.535 3.491 20 70 EGIDRO Cc1cc(CCC(=O)N[C@H]2CCC[C@H]([NH3+])C2)ccc1Br ZINC000161003255 455522978 /nfs/dbraw/zinc/52/29/78/455522978.db2.gz DVHIDSYKHMCLHE-KBPBESRZSA-N 1 0 339.277 3.076 20 70 EGIDRO CC(C)C[N@@H+]1CCCC[C@H]1CNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000161020348 455524107 /nfs/dbraw/zinc/52/41/07/455524107.db2.gz VPHYKGWXLQUIPJ-DLBZAZTESA-N 1 0 347.507 3.157 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@@H](C)c2ccc3ccccc3n2)cc1 ZINC000161013366 455524476 /nfs/dbraw/zinc/52/44/76/455524476.db2.gz MPITZIDXLRRNSS-HNNXBMFYSA-N 1 0 349.434 3.210 20 70 EGIDRO C[C@@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCCC2=O)c1 ZINC000161079251 455530774 /nfs/dbraw/zinc/53/07/74/455530774.db2.gz FDMJBLGVPDFWNE-NJAFHUGGSA-N 1 0 329.488 3.337 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000161082857 455530934 /nfs/dbraw/zinc/53/09/34/455530934.db2.gz NAUKKYNUEQMMCO-CYJAXWMASA-N 1 0 331.504 3.033 20 70 EGIDRO C[C@H]1CN(C(=O)CC[C@@H]([NH3+])c2ccccc2)c2ccc(F)cc2O1 ZINC000161102624 455533544 /nfs/dbraw/zinc/53/35/44/455533544.db2.gz FBSJYSKQEDQHOD-XJKSGUPXSA-N 1 0 328.387 3.420 20 70 EGIDRO CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC(=O)c2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000161107959 455535171 /nfs/dbraw/zinc/53/51/71/455535171.db2.gz DDAMRLNOFGPBQO-WBMJQRKESA-N 1 0 346.862 3.189 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCOc2ccc(C(C)(C)C)cc2)CC1 ZINC000161208925 455548456 /nfs/dbraw/zinc/54/84/56/455548456.db2.gz ULJSCVPPRUATMZ-UHFFFAOYSA-N 1 0 332.488 3.400 20 70 EGIDRO CCC[N@H+](CCO)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000161215131 455549155 /nfs/dbraw/zinc/54/91/55/455549155.db2.gz PVBGMEHVKXEMDB-UHFFFAOYSA-N 1 0 334.460 3.189 20 70 EGIDRO C[C@H]1C[C@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000161245960 455552160 /nfs/dbraw/zinc/55/21/60/455552160.db2.gz HRCZPBAPVNABNV-DCPHZVHLSA-N 1 0 338.426 3.245 20 70 EGIDRO Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCN(CC(F)(F)F)C1)CCCO2 ZINC000161268832 455554246 /nfs/dbraw/zinc/55/42/46/455554246.db2.gz CKBJBXPTCMXKPR-TZMCWYRMSA-N 1 0 332.341 3.266 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000161271521 455555142 /nfs/dbraw/zinc/55/51/42/455555142.db2.gz LOEJCMPRZPRHSZ-QWRGUYRKSA-N 1 0 335.860 3.463 20 70 EGIDRO CC[C@@H](C)c1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)on1 ZINC000161278731 455555785 /nfs/dbraw/zinc/55/57/85/455555785.db2.gz GCRFDPZLSJRUGI-GDBMZVCRSA-N 1 0 329.444 3.091 20 70 EGIDRO c1cc(C[NH2+]C2CCC3(CC2)OCCO3)cc(OC2CCCC2)n1 ZINC000161282314 455555839 /nfs/dbraw/zinc/55/58/39/455555839.db2.gz OYKZVOYGJLNAPX-UHFFFAOYSA-N 1 0 332.444 3.178 20 70 EGIDRO C[C@H](CNC(=O)[C@H](C)c1ccc(Br)cc1)[N@H+](C)C1CC1 ZINC000161310120 455558243 /nfs/dbraw/zinc/55/82/43/455558243.db2.gz DNSOTWZEZLKDGQ-VXGBXAGGSA-N 1 0 339.277 3.152 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000161324069 455558980 /nfs/dbraw/zinc/55/89/80/455558980.db2.gz ONAHLLIMFPAIOS-SJLPKXTDSA-N 1 0 343.471 3.205 20 70 EGIDRO CC[C@@H](C)C(=O)Nc1cccc(C[NH2+]C2CCC(NC(C)=O)CC2)c1 ZINC000161332811 455559965 /nfs/dbraw/zinc/55/99/65/455559965.db2.gz QHRVAYYNFORXEU-RWBZWWBESA-N 1 0 345.487 3.208 20 70 EGIDRO COc1cccc([C@@H](O)C[NH2+][C@@H](C)c2ccc(OC)cc2OC)c1 ZINC000161354191 455561697 /nfs/dbraw/zinc/56/16/97/455561697.db2.gz NSLJEICZVJOQAE-UGSOOPFHSA-N 1 0 331.412 3.097 20 70 EGIDRO COc1cccc([C@H](O)C[NH2+][C@H](C)c2ccc(OC)cc2OC)c1 ZINC000161354598 455561937 /nfs/dbraw/zinc/56/19/37/455561937.db2.gz NSLJEICZVJOQAE-FZKQIMNGSA-N 1 0 331.412 3.097 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@H]2CCc3c2cccc3C)c1 ZINC000161408754 455568197 /nfs/dbraw/zinc/56/81/97/455568197.db2.gz VGOFDOZPUUOPBY-KUHUBIRLSA-N 1 0 344.480 3.241 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000161423577 455569669 /nfs/dbraw/zinc/56/96/69/455569669.db2.gz IDCPTDOBAUPIGY-JKSUJKDBSA-N 1 0 327.428 3.050 20 70 EGIDRO COC(=O)C[C@H](NC(=O)CC[NH2+]C(C)C)c1ccc(C(C)(C)C)cc1 ZINC000161431784 455570512 /nfs/dbraw/zinc/57/05/12/455570512.db2.gz ABHIZLMWYYJVFN-KRWDZBQOSA-N 1 0 348.487 3.093 20 70 EGIDRO CC[C@H]([NH3+])C(=O)N[C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000161477988 455573895 /nfs/dbraw/zinc/57/38/95/455573895.db2.gz YKTOXVRZPGLYIJ-IRXDYDNUSA-N 1 0 332.831 3.292 20 70 EGIDRO C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)c1cccc(N2CCOC2=O)c1 ZINC000161486701 455574656 /nfs/dbraw/zinc/57/46/56/455574656.db2.gz QDUFJVRDRCTSAQ-YJBOKZPZSA-N 1 0 340.423 3.070 20 70 EGIDRO C[C@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)CC[NH2+]1 ZINC000159556184 533879052 /nfs/dbraw/zinc/87/90/52/533879052.db2.gz LLELXJACIQVEQB-NSHDSACASA-N 1 0 333.229 3.036 20 70 EGIDRO C[C@H](CSC(C)(C)C)[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000160218458 534137795 /nfs/dbraw/zinc/13/77/95/534137795.db2.gz REWIKGCDVMPXGC-CQSZACIVSA-N 1 0 335.517 3.196 20 70 EGIDRO CC(C)([NH3+])CNC(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1 ZINC000159986318 527255080 /nfs/dbraw/zinc/25/50/80/527255080.db2.gz OHIFLPNNAILBPB-QWHCGFSZSA-N 1 0 329.469 3.200 20 70 EGIDRO CC1(NC(=O)c2ccc(C[NH+]3CCC(CO)CC3)cc2)CCCCC1 ZINC000161016434 528029271 /nfs/dbraw/zinc/02/92/71/528029271.db2.gz SEBGCDLKHKKGHD-UHFFFAOYSA-N 1 0 344.499 3.344 20 70 EGIDRO CC[NH+](CC)CCOc1ccccc1NC(=O)[C@@H](O)c1ccccc1 ZINC000159785054 528154554 /nfs/dbraw/zinc/15/45/54/528154554.db2.gz HBCPLDZCAIMDSK-IBGZPJMESA-N 1 0 342.439 3.079 20 70 EGIDRO CCCCS(=O)(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000160018409 528712394 /nfs/dbraw/zinc/71/23/94/528712394.db2.gz MKFRLPXDLNSQHT-AEFFLSMTSA-N 1 0 338.517 3.101 20 70 EGIDRO CCC[C@@H]([NH2+][C@H](COC)C(C)C)C(=O)N1CCc2sccc2C1 ZINC000160195065 529021379 /nfs/dbraw/zinc/02/13/79/529021379.db2.gz HYTCGJISGPTGLJ-HZPDHXFCSA-N 1 0 338.517 3.062 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@@H](C)c2ncc(-c3ccccc3)o2)CC1 ZINC000159891501 529028494 /nfs/dbraw/zinc/02/84/94/529028494.db2.gz FUAOMLJTQFALCM-HNNXBMFYSA-N 1 0 342.443 3.140 20 70 EGIDRO COc1ccc(CCCC(=O)N2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000159739440 536829926 /nfs/dbraw/zinc/82/99/26/536829926.db2.gz YBLDMULMOFHIFZ-UHFFFAOYSA-N 1 0 330.472 3.009 20 70 EGIDRO CCC[NH+]1CCC(NCc2cccc(C(=O)N[C@H](C)CC)c2)CC1 ZINC000161043316 546952302 /nfs/dbraw/zinc/95/23/02/546952302.db2.gz FYJZUXXYYQHNNX-MRXNPFEDSA-N 1 0 331.504 3.179 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCc2ccc(C(F)(F)F)cc2)CC1 ZINC000161207235 546953202 /nfs/dbraw/zinc/95/32/02/546953202.db2.gz KYWMZFYMQPJCDH-UHFFFAOYSA-N 1 0 328.378 3.285 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@H](C)c1cccc(C(F)(F)F)c1 ZINC000161177105 529989101 /nfs/dbraw/zinc/98/91/01/529989101.db2.gz RVRPYNYENSSAPB-WFASDCNBSA-N 1 0 328.378 3.409 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000161242597 529989221 /nfs/dbraw/zinc/98/92/21/529989221.db2.gz AOZZYFKYIGHIFW-NSHDSACASA-N 1 0 333.284 3.296 20 70 EGIDRO O=C1[C@H]([NH2+][C@H]2CCCc3cc(F)ccc32)CCCN1CC(F)(F)F ZINC000159550481 285004409 /nfs/dbraw/zinc/00/44/09/285004409.db2.gz XUPIWGAHYZLQCG-LSDHHAIUSA-N 1 0 344.352 3.346 20 70 EGIDRO [NH3+]C[C@@H](NC(=O)c1ccc2cc(Br)ccc2c1)C1CC1 ZINC000159651899 140943712 /nfs/dbraw/zinc/94/37/12/140943712.db2.gz GIBKNBHIPMQFFL-OAHLLOKOSA-N 1 0 333.229 3.069 20 70 EGIDRO C[C@H](CNC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)Oc1ccccc1 ZINC000159934347 225305586 /nfs/dbraw/zinc/30/55/86/225305586.db2.gz BPYDVUZEFXEGJB-MSOLQXFVSA-N 1 0 345.487 3.114 20 70 EGIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000160276209 225377970 /nfs/dbraw/zinc/37/79/70/225377970.db2.gz LDCHJEPCTJYSGY-HIFRSBDPSA-N 1 0 342.405 3.294 20 70 EGIDRO COCC(C)(C)C(=O)NC1CC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000160315949 225386572 /nfs/dbraw/zinc/38/65/72/225386572.db2.gz HEANRAZKBMZRLY-UHFFFAOYSA-N 1 0 338.879 3.093 20 70 EGIDRO C[C@H](NC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Br)cc1 ZINC000160067702 225330658 /nfs/dbraw/zinc/33/06/58/225330658.db2.gz VPLHHZRBICOZBD-VHRBIJSZSA-N 1 0 325.250 3.144 20 70 EGIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H](COCc1ccccc1)c1ccccc1 ZINC000159960970 264867667 /nfs/dbraw/zinc/86/76/67/264867667.db2.gz ICIJZNRAVOPSOO-VQTJNVASSA-N 1 0 338.451 3.203 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC[C@@H](c2cccs2)[NH+](C)C)n1 ZINC000161012252 273509668 /nfs/dbraw/zinc/50/96/68/273509668.db2.gz SANGZUYSUJRTPM-AWEZNQCLSA-N 1 0 349.504 3.415 20 70 EGIDRO CC(C)CN(C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1CC1 ZINC000161237120 277372667 /nfs/dbraw/zinc/37/26/67/277372667.db2.gz SSYRFIXSIUDYIC-INIZCTEOSA-N 1 0 344.503 3.437 20 70 EGIDRO CSc1nc2ncnc(N3CCC[C@@H]3C[NH+]3CCCCC3)c2s1 ZINC000160433047 278179849 /nfs/dbraw/zinc/17/98/49/278179849.db2.gz UYTOUJNZGGVQBO-GFCCVEGCSA-N 1 0 349.529 3.263 20 70 EGIDRO [NH3+][C@@H]1CC[C@@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000161321218 303470874 /nfs/dbraw/zinc/47/08/74/303470874.db2.gz BNOXFBUNZANMQE-BXUZGUMPSA-N 1 0 326.362 3.328 20 70 EGIDRO Cc1ccc(C)c([C@@H](C)[NH2+]C[C@]2(N3CCOCC3)CCSC2)c1 ZINC000160811357 307894854 /nfs/dbraw/zinc/89/48/54/307894854.db2.gz USJVTFFOVOHYFA-IEBWSBKVSA-N 1 0 334.529 3.162 20 70 EGIDRO O=C(CSc1cccc(C(F)(F)F)c1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000159380819 455373390 /nfs/dbraw/zinc/37/33/90/455373390.db2.gz WPWYJWLFOFIHFR-HNNXBMFYSA-N 1 0 344.402 3.010 20 70 EGIDRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159809684 455406199 /nfs/dbraw/zinc/40/61/99/455406199.db2.gz NWAWGODNXANBGX-PKOBYXMFSA-N 1 0 340.854 3.370 20 70 EGIDRO Cc1cccc([C@@H]2CCCN2CC(=O)N(C2CC2)C2CCCC2)n1 ZINC000160031410 455422898 /nfs/dbraw/zinc/42/28/98/455422898.db2.gz FTLOLZAWPDKRJI-IBGZPJMESA-N 1 0 327.472 3.461 20 70 EGIDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)c1ccc(Br)cc1 ZINC000160136201 455432209 /nfs/dbraw/zinc/43/22/09/455432209.db2.gz FNHJDRKBBJAVEJ-LBPRGKRZSA-N 1 0 327.266 3.009 20 70 EGIDRO CC(C)Cc1ccc(CCC(=O)NC[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000160136021 455432279 /nfs/dbraw/zinc/43/22/79/455432279.db2.gz DYHLWWCNYYHLJI-IBGZPJMESA-N 1 0 328.500 3.418 20 70 EGIDRO Cc1ccc(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160180199 455434885 /nfs/dbraw/zinc/43/48/85/455434885.db2.gz MBQCACAWSYYKFH-LJQANCHMSA-N 1 0 329.488 3.197 20 70 EGIDRO C[C@H]1C[C@H](NC(=O)N(C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160377994 455452756 /nfs/dbraw/zinc/45/27/56/455452756.db2.gz HGZHGEJIDQPDHE-PXNSSMCTSA-N 1 0 337.467 3.491 20 70 EGIDRO Cc1n[nH]c(C)c1[C@H](C)CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000160396280 455453949 /nfs/dbraw/zinc/45/39/49/455453949.db2.gz QBNPDKMJWMWXPH-CZUORRHYSA-N 1 0 344.459 3.066 20 70 EGIDRO C[C@@H]([NH2+]C[C@H](C1CCCCC1)N(C)C)c1ccc(-n2cncn2)cc1 ZINC000160419995 455457101 /nfs/dbraw/zinc/45/71/01/455457101.db2.gz ZWFDVSAZRITQBY-OXQOHEQNSA-N 1 0 341.503 3.428 20 70 EGIDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)nnn1-c1ccc(Cl)cc1 ZINC000160565333 455474937 /nfs/dbraw/zinc/47/49/37/455474937.db2.gz LGQZZCKOODAUAL-MRRJBJDNSA-N 1 0 348.878 3.431 20 70 EGIDRO O[C@@H]1CCCC[C@H]1C[NH2+]C1CCN(Cc2ccccc2Cl)CC1 ZINC000160510977 455467494 /nfs/dbraw/zinc/46/74/94/455467494.db2.gz NZCWISDTRMLPIX-HNAYVOBHSA-N 1 0 336.907 3.445 20 70 EGIDRO Cc1nc(-c2cccc(NC(=O)c3ccc(C[NH+](C)C)cc3)c2)n[nH]1 ZINC000160681863 455487579 /nfs/dbraw/zinc/48/75/79/455487579.db2.gz NTDVMYZMQQNPKZ-UHFFFAOYSA-N 1 0 335.411 3.094 20 70 EGIDRO C[C@@]1(CNc2nccn(C3CC3)c2=O)CCC[N@@H+]1Cc1ccccc1 ZINC000160793182 455498698 /nfs/dbraw/zinc/49/86/98/455498698.db2.gz WTLRZSUNLWUXQV-FQEVSTJZSA-N 1 0 338.455 3.045 20 70 EGIDRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000159527794 455383536 /nfs/dbraw/zinc/38/35/36/455383536.db2.gz XMNWPOPQSFTFRV-UHFFFAOYSA-N 1 0 331.847 3.298 20 70 EGIDRO Cc1nc(-c2c[nH]c(C(=O)NCC[NH2+]C3CCCCCC3)c2)cs1 ZINC000159635398 455391472 /nfs/dbraw/zinc/39/14/72/455391472.db2.gz RFZGYEAEZYKNPM-UHFFFAOYSA-N 1 0 346.500 3.489 20 70 EGIDRO CCC(=O)N1CC[C@H]([NH2+][C@@H](C)c2cccc(Br)c2)C1 ZINC000159820133 455406803 /nfs/dbraw/zinc/40/68/03/455406803.db2.gz DEXAYKKMBHINGN-FZMZJTMJSA-N 1 0 325.250 3.111 20 70 EGIDRO CC[N@H+](CCNC(=O)c1nn(-c2ccccc2Cl)cc1C)C1CC1 ZINC000160147625 455432446 /nfs/dbraw/zinc/43/24/46/455432446.db2.gz MHHFPYZGKLKJJX-UHFFFAOYSA-N 1 0 346.862 3.048 20 70 EGIDRO CC[C@@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cnn(C)c1 ZINC000160467307 455462332 /nfs/dbraw/zinc/46/23/32/455462332.db2.gz LQVAQOJXXHVCQZ-GOSISDBHSA-N 1 0 327.476 3.292 20 70 EGIDRO Cc1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000160522272 455469756 /nfs/dbraw/zinc/46/97/56/455469756.db2.gz MVKMCVYDCZCYLI-MRXNPFEDSA-N 1 0 346.438 3.065 20 70 EGIDRO Cc1cc2cc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)oc2cc1C ZINC000160537276 455471730 /nfs/dbraw/zinc/47/17/30/455471730.db2.gz OYHORTCVFRGAPU-NSHDSACASA-N 1 0 328.334 3.379 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)Cc1ccc(NC(=O)CC(C)(C)C)cc1 ZINC000160540971 455472091 /nfs/dbraw/zinc/47/20/91/455472091.db2.gz BBZOZVMJBNJAOZ-UHFFFAOYSA-N 1 0 347.503 3.238 20 70 EGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)Nc1cc(NC(C)=O)ccc1OC ZINC000160554409 455473565 /nfs/dbraw/zinc/47/35/65/455473565.db2.gz UDCSJDLNORPHLO-KGLIPLIRSA-N 1 0 349.475 3.349 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1ccccc1-c1nc(C(C)(C)C)no1 ZINC000160556099 455474034 /nfs/dbraw/zinc/47/40/34/455474034.db2.gz XGMONOBECAYASV-UHFFFAOYSA-N 1 0 344.459 3.281 20 70 EGIDRO CC(C)S(=O)(=O)CCCN1CC=C(c2ccc(F)cc2)CC1 ZINC000160597578 455478393 /nfs/dbraw/zinc/47/83/93/455478393.db2.gz WVCTWYKVHQSACJ-UHFFFAOYSA-N 1 0 325.449 3.128 20 70 EGIDRO COCCC1(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)CCC1 ZINC000160627085 455482396 /nfs/dbraw/zinc/48/23/96/455482396.db2.gz TYGDJGFTSDANBH-KRWDZBQOSA-N 1 0 339.524 3.003 20 70 EGIDRO C[C@H]1C[C@H](C)C[NH+](CCCNC(=O)c2c(F)cc(F)cc2F)C1 ZINC000160671917 455486029 /nfs/dbraw/zinc/48/60/29/455486029.db2.gz KDDOISMIHDPYFP-RYUDHWBXSA-N 1 0 328.378 3.202 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000160714441 455491131 /nfs/dbraw/zinc/49/11/31/455491131.db2.gz LONOZEFUVQHVAU-SFHVURJKSA-N 1 0 342.487 3.147 20 70 EGIDRO C[C@@H](Cc1ccc(O)cc1)NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160877537 455507412 /nfs/dbraw/zinc/50/74/12/455507412.db2.gz CRZFVYJDGPZARR-INIZCTEOSA-N 1 0 347.503 3.087 20 70 EGIDRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000160928385 455514929 /nfs/dbraw/zinc/51/49/29/455514929.db2.gz KZHWOGMAIKGGJW-HXUWFJFHSA-N 1 0 343.492 3.342 20 70 EGIDRO C[C@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000160938903 455515916 /nfs/dbraw/zinc/51/59/16/455515916.db2.gz SZMIJCGMNSRHGN-LAUBAEHRSA-N 1 0 342.483 3.401 20 70 EGIDRO C[C@H](c1ccc([S@@](C)=O)cc1)N(C)Cc1cnc2ccccn12 ZINC000160935530 455515940 /nfs/dbraw/zinc/51/59/40/455515940.db2.gz KQFSQAFHXBQXLA-FATZIPQQSA-N 1 0 327.453 3.265 20 70 EGIDRO O=C([C@@H]1CC[C@@H]2CCCC[C@@H]2C1)N1CCN(Cc2ccccn2)CC1 ZINC000160934970 455516018 /nfs/dbraw/zinc/51/60/18/455516018.db2.gz RTYTVFIZTBSVPK-IPMKNSEASA-N 1 0 341.499 3.332 20 70 EGIDRO Cc1nc2ccccn2c1C[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000160984692 455520252 /nfs/dbraw/zinc/52/02/52/455520252.db2.gz LOESUEAEACOEIP-SFHVURJKSA-N 1 0 343.471 3.193 20 70 EGIDRO COCCOc1ccc([C@@H](C)[NH2+][C@H](CCO)c2ccccc2)cc1 ZINC000160990998 455520962 /nfs/dbraw/zinc/52/09/62/455520962.db2.gz PTMKHACACMWDON-OXQOHEQNSA-N 1 0 329.440 3.486 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H](C)c2cnn(CC)c2)c1 ZINC000161047949 455526645 /nfs/dbraw/zinc/52/66/45/455526645.db2.gz OEIZZPRRRGMCAN-CABCVRRESA-N 1 0 328.460 3.282 20 70 EGIDRO Cc1c([C@H](C)N[C@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccc(F)cc1 ZINC000161083169 455530585 /nfs/dbraw/zinc/53/05/85/455530585.db2.gz CVJCQYRYCBBINH-OWQGQXMQSA-N 1 0 345.466 3.238 20 70 EGIDRO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C(C)C)C2)c(Br)c1 ZINC000161148250 455540315 /nfs/dbraw/zinc/54/03/15/455540315.db2.gz NBAPOQWCOQFMOD-CYBMUJFWSA-N 1 0 339.277 3.218 20 70 EGIDRO C[C@@H](N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1)C1(C)CC1 ZINC000161172078 455544420 /nfs/dbraw/zinc/54/44/20/455544420.db2.gz OORRFKLKVCKDMU-JKSUJKDBSA-N 1 0 344.503 3.437 20 70 EGIDRO Cc1ccc(C(=O)CC[N@H+]2CCC[C@@H](Cc3nccn3C)C2)cc1 ZINC000161201058 455547989 /nfs/dbraw/zinc/54/79/89/455547989.db2.gz DJXFNIIQGNBJRY-KRWDZBQOSA-N 1 0 325.456 3.256 20 70 EGIDRO CCN(CC)[C@H](C[NH2+]C1CCC(NC(C)=O)CC1)c1ccsc1 ZINC000161280928 455555466 /nfs/dbraw/zinc/55/54/66/455555466.db2.gz LNKQNLQZKUHZTP-DAWZGUTISA-N 1 0 337.533 3.168 20 70 EGIDRO CCOC[C@H](O)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000161306669 455557436 /nfs/dbraw/zinc/55/74/36/455557436.db2.gz OZZQUMZTSKGAAZ-UYAOXDASSA-N 1 0 347.430 3.105 20 70 EGIDRO CCOC[C@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccc(OC)cc1 ZINC000161306429 455557726 /nfs/dbraw/zinc/55/77/26/455557726.db2.gz OZZQUMZTSKGAAZ-QUCCMNQESA-N 1 0 347.430 3.105 20 70 EGIDRO Fc1ccc(CN2CCC([NH2+]C3CCC4(CC3)OCCO4)CC2)cc1 ZINC000161316967 455558113 /nfs/dbraw/zinc/55/81/13/455558113.db2.gz IREOMZNBYAIYOE-UHFFFAOYSA-N 1 0 348.462 3.065 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)Cc1ccc(Cl)cc1Cl ZINC000161359370 455562839 /nfs/dbraw/zinc/56/28/39/455562839.db2.gz ZDDQFDJQWIDOQC-BXUZGUMPSA-N 1 0 329.271 3.382 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@H](C)[NH2+][C@@H](C)CSC(C)(C)C)c1 ZINC000161444914 455571445 /nfs/dbraw/zinc/57/14/45/455571445.db2.gz YCADQJMZUULOIH-STQMWFEESA-N 1 0 344.546 3.166 20 70 EGIDRO COC(=O)c1cc(NC(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)ccc1C ZINC000161489305 455574968 /nfs/dbraw/zinc/57/49/68/455574968.db2.gz OPTZTERMYBRUGW-SUMWQHHRSA-N 1 0 326.396 3.056 20 70 EGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)c2c(F)cc(F)cc2F)c1 ZINC000161498596 455575419 /nfs/dbraw/zinc/57/54/19/455575419.db2.gz NYGXWHHMRUMXGV-UHFFFAOYSA-N 1 0 336.357 3.486 20 70 EGIDRO CCC[NH+]1CCC(CNC(=O)Nc2cnn(CCC(C)C)c2C)CC1 ZINC000161507218 455576078 /nfs/dbraw/zinc/57/60/78/455576078.db2.gz DCKZDQHRYMYIPQ-UHFFFAOYSA-N 1 0 349.523 3.481 20 70 EGIDRO C[C@H]1C[N@H+](Cc2ccccc2)CCCN1C(=O)CCCn1cccc1 ZINC000159657331 533953442 /nfs/dbraw/zinc/95/34/42/533953442.db2.gz LFBHVPBPTAJHAG-IBGZPJMESA-N 1 0 339.483 3.391 20 70 EGIDRO Cc1cc(OC(F)F)c(C(=O)N2CCC([NH2+]CC3CC3)CC2)s1 ZINC000159881602 534026899 /nfs/dbraw/zinc/02/68/99/534026899.db2.gz CYMLCAGIFRGJBS-UHFFFAOYSA-N 1 0 344.427 3.262 20 70 EGIDRO O=C([C@@H]1C[C@@H]1c1c(F)cccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159789696 534601309 /nfs/dbraw/zinc/60/13/09/534601309.db2.gz NSQOFJNYGUXUFL-LSDHHAIUSA-N 1 0 334.410 3.059 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H](C)c1ccccc1OC(F)(F)F)CC2 ZINC000160339288 534702483 /nfs/dbraw/zinc/70/24/83/534702483.db2.gz YYMHMXKGGHPHPG-PWSUYJOCSA-N 1 0 340.349 3.151 20 70 EGIDRO CC[NH+](CC)[C@H](CNc1ccc2nnc(C(F)F)n2n1)CC(C)C ZINC000160061232 528281783 /nfs/dbraw/zinc/28/17/83/528281783.db2.gz IMNAIRZWGDZKDP-LBPRGKRZSA-N 1 0 340.422 3.230 20 70 EGIDRO CC[C@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161036791 529180251 /nfs/dbraw/zinc/18/02/51/529180251.db2.gz UFPYSTNORWCQHW-LBPRGKRZSA-N 1 0 327.266 3.186 20 70 EGIDRO CCC[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccc(C)cc3)CC2)CC1 ZINC000160961311 546952327 /nfs/dbraw/zinc/95/23/27/546952327.db2.gz DVKFMDFZRJJACV-UHFFFAOYSA-N 1 0 343.515 3.064 20 70 EGIDRO CCN(CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)c1ccc(F)cc1 ZINC000216707553 574808798 /nfs/dbraw/zinc/80/87/98/574808798.db2.gz GUIGMKXTAVUZDF-LJQANCHMSA-N 1 0 343.446 3.071 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)cc1F ZINC000161203653 530003078 /nfs/dbraw/zinc/00/30/78/530003078.db2.gz ZIHODBAQORRQBM-MRXNPFEDSA-N 1 0 330.378 3.456 20 70 EGIDRO C[N@@H+](Cc1csc(-c2ccc3c(c2)OCO3)n1)C[C@H]1CCC[C@@H]1O ZINC000159559358 530019151 /nfs/dbraw/zinc/01/91/51/530019151.db2.gz BBTZEBMODYWVHB-HIFRSBDPSA-N 1 0 346.452 3.132 20 70 EGIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000160276092 296005214 /nfs/dbraw/zinc/00/52/14/296005214.db2.gz LDCHJEPCTJYSGY-ZFWWWQNUSA-N 1 0 342.405 3.294 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)C2(C)CC2)CC1 ZINC000161171824 296243628 /nfs/dbraw/zinc/24/36/28/296243628.db2.gz OORRFKLKVCKDMU-HOTGVXAUSA-N 1 0 344.503 3.437 20 70 EGIDRO CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000161252962 152773424 /nfs/dbraw/zinc/77/34/24/152773424.db2.gz HLBFRNASRFUWSJ-NLNFPOJYSA-N 1 0 343.471 3.133 20 70 EGIDRO [NH3+][C@@H](Cc1ccccc1)C(=O)N1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000159807834 225281096 /nfs/dbraw/zinc/28/10/96/225281096.db2.gz DLNJBUXJBDBVHF-WMZOPIPTSA-N 1 0 328.843 3.226 20 70 EGIDRO C[NH+](C)Cc1cccc(CNC(=O)NCc2nc(C3CC3)cs2)c1 ZINC000159901504 225298577 /nfs/dbraw/zinc/29/85/77/225298577.db2.gz NBOXJPGGKPREBJ-UHFFFAOYSA-N 1 0 344.484 3.082 20 70 EGIDRO COc1ccc([C@@H](C[NH2+]Cc2cn(C)nc2C)N2CCCCC2)cc1 ZINC000159582445 225242980 /nfs/dbraw/zinc/24/29/80/225242980.db2.gz XYXXYROOOAINLX-HXUWFJFHSA-N 1 0 342.487 3.054 20 70 EGIDRO Cc1cccc(COc2cccc(CC(=O)N3CCC[C@H]3C[NH3+])c2)c1 ZINC000160214447 225361354 /nfs/dbraw/zinc/36/13/54/225361354.db2.gz VXXJWIRCZNNHSB-IBGZPJMESA-N 1 0 338.451 3.066 20 70 EGIDRO C[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)Oc1ccc(F)cc1 ZINC000161123549 225551910 /nfs/dbraw/zinc/55/19/10/225551910.db2.gz UCIOHYNLWWEMSY-LBTNJELSSA-N 1 0 330.403 3.045 20 70 EGIDRO Cc1ccccc1OCC[NH2+][C@H](C)c1ccc(NS(C)(=O)=O)cc1 ZINC000161341132 225607621 /nfs/dbraw/zinc/60/76/21/225607621.db2.gz BCXUVERBHTVWGR-OAHLLOKOSA-N 1 0 348.468 3.096 20 70 EGIDRO C[C@H](C(=O)N[C@@H]1C[C@@H]1c1c(F)cccc1F)[C@H]([NH3+])c1ccccc1 ZINC000159379034 264858511 /nfs/dbraw/zinc/85/85/11/264858511.db2.gz VNONQWHHCZLTSJ-DGYNHUQFSA-N 1 0 330.378 3.273 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(OC)cc1C(F)(F)F ZINC000161206985 275954473 /nfs/dbraw/zinc/95/44/73/275954473.db2.gz RWFPVVXGYVWIPH-UHFFFAOYSA-N 1 0 332.366 3.095 20 70 EGIDRO CC(C)[C@@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc2c(c1)OCCO2 ZINC000161231628 279902540 /nfs/dbraw/zinc/90/25/40/279902540.db2.gz LVYVTFNPNZMFIL-LJQANCHMSA-N 1 0 347.455 3.430 20 70 EGIDRO C[C@@H](CCn1cccn1)Nc1ccccc1C[NH+]1CCSCC1 ZINC000159437147 533696933 /nfs/dbraw/zinc/69/69/33/533696933.db2.gz VOCIODSBNOOVQL-INIZCTEOSA-N 1 0 330.501 3.323 20 70 EGIDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)cc2F)oc1C ZINC000159489936 307874700 /nfs/dbraw/zinc/87/47/00/307874700.db2.gz BVZLBRJLJLXQKV-UHFFFAOYSA-N 1 0 336.382 3.379 20 70 EGIDRO Cc1noc(C)c1[C@@H](C)CC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000160165535 307885667 /nfs/dbraw/zinc/88/56/67/307885667.db2.gz DXBVUYSFQYVISE-AWEZNQCLSA-N 1 0 333.476 3.262 20 70 EGIDRO COc1ccc(CNC(=O)C[NH2+][C@H](C)c2ccc(C)cc2C)cc1 ZINC000160997569 307897391 /nfs/dbraw/zinc/89/73/91/307897391.db2.gz PUSFVMABCSAUOU-MRXNPFEDSA-N 1 0 326.440 3.279 20 70 EGIDRO COC(=O)[C@@H](C)[C@H]([NH2+]Cc1c(C)nc2ccccn21)c1ccccc1 ZINC000161289783 307901354 /nfs/dbraw/zinc/90/13/54/307901354.db2.gz LIFAXLHMJSZKKQ-LIRRHRJNSA-N 1 0 337.423 3.283 20 70 EGIDRO CC(C)Oc1ccc(CC[C@H](C)NC(=O)[C@]2(C)CCC[NH2+]C2)cc1 ZINC000161368619 307901883 /nfs/dbraw/zinc/90/18/83/307901883.db2.gz NOOUKAFRZUCEFL-OXJNMPFZSA-N 1 0 332.488 3.301 20 70 EGIDRO CCc1nn(C)c(CC)c1C[NH2+]CCc1c[nH]c2cc(F)ccc12 ZINC000161412320 307902382 /nfs/dbraw/zinc/90/23/82/307902382.db2.gz BAZLFKACUKYTIM-UHFFFAOYSA-N 1 0 328.435 3.498 20 70 EGIDRO O=C([C@H](Oc1ccc(F)cc1Cl)c1ccccc1)N1CC[NH2+]CC1 ZINC000159376185 455372568 /nfs/dbraw/zinc/37/25/68/455372568.db2.gz NUTLOAUUMSDTSN-QGZVFWFLSA-N 1 0 348.805 3.031 20 70 EGIDRO COC[C@@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)C(C)C ZINC000159577567 455387427 /nfs/dbraw/zinc/38/74/27/455387427.db2.gz ADCATKKEVBHTLV-WOJBJXKFSA-N 1 0 340.467 3.497 20 70 EGIDRO O=C(N[C@H]1CCC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000159647777 455392978 /nfs/dbraw/zinc/39/29/78/455392978.db2.gz DUHKFZWCTDCUJT-HNNXBMFYSA-N 1 0 333.229 3.084 20 70 EGIDRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000160179809 455435032 /nfs/dbraw/zinc/43/50/32/455435032.db2.gz WTDJQASABHUTDK-CYBMUJFWSA-N 1 0 330.394 3.340 20 70 EGIDRO CCCCc1ccc([C@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160371326 455452303 /nfs/dbraw/zinc/45/23/03/455452303.db2.gz CFBFEZUATGPKKZ-KRWDZBQOSA-N 1 0 345.531 3.232 20 70 EGIDRO C[C@H]1CCC[N@H+](CCCCNC(=O)NC[C@]2(C)CCCS2)C1 ZINC000160398678 455455297 /nfs/dbraw/zinc/45/52/97/455455297.db2.gz FCUQYMDMKBJPNA-RDJZCZTQSA-N 1 0 327.538 3.083 20 70 EGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c(F)cc1Cl ZINC000160511357 455467156 /nfs/dbraw/zinc/46/71/56/455467156.db2.gz WBSKLWYKPMPLSH-LLVKDONJSA-N 1 0 330.806 3.468 20 70 EGIDRO CCC(=O)N1CC[C@@H]([NH2+][C@H](C)c2cccc(Br)c2)C1 ZINC000159820543 455407313 /nfs/dbraw/zinc/40/73/13/455407313.db2.gz DEXAYKKMBHINGN-BXUZGUMPSA-N 1 0 325.250 3.111 20 70 EGIDRO CC(C)(C)Cc1noc2nc(C3CC3)cc(C(=O)NCC(C)(C)[NH3+])c12 ZINC000159931412 455416802 /nfs/dbraw/zinc/41/68/02/455416802.db2.gz NTFRRGBQAOMEAY-UHFFFAOYSA-N 1 0 344.459 3.156 20 70 EGIDRO CCCC[C@@H](C(=O)OC)[N@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000160071300 455425946 /nfs/dbraw/zinc/42/59/46/455425946.db2.gz JEBKUKHMJGTNGJ-SFHVURJKSA-N 1 0 347.503 3.352 20 70 EGIDRO CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)N(C)Cc2cccn2C)C1 ZINC000160080651 455427200 /nfs/dbraw/zinc/42/72/00/455427200.db2.gz KFOBWICJRCLFOV-INIZCTEOSA-N 1 0 334.508 3.067 20 70 EGIDRO CCC[N@H+](CCOCC1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000160195888 455437796 /nfs/dbraw/zinc/43/77/96/455437796.db2.gz QQCBUOYSISFZCL-UHFFFAOYSA-N 1 0 344.499 3.430 20 70 EGIDRO CCCCc1ccc([C@@H](C)[NH2+]C2CCN(CC(=O)N(C)C)CC2)cc1 ZINC000160371223 455451889 /nfs/dbraw/zinc/45/18/89/455451889.db2.gz CFBFEZUATGPKKZ-QGZVFWFLSA-N 1 0 345.531 3.232 20 70 EGIDRO COc1ccc([C@H](C)[NH2+]Cc2ccccc2CN2CCOCC2)cc1 ZINC000160490436 455465449 /nfs/dbraw/zinc/46/54/49/455465449.db2.gz XEBCNICCPPADAC-KRWDZBQOSA-N 1 0 340.467 3.378 20 70 EGIDRO Cc1cc(NC(=O)CC[C@@H]([NH3+])c2ccccc2)ccc1C(=O)N(C)C ZINC000160515612 455468257 /nfs/dbraw/zinc/46/82/57/455468257.db2.gz BPJRNZCEDMNRNG-GOSISDBHSA-N 1 0 339.439 3.116 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@H]1CCCOc3c(C)cc(C)cc31)CC2 ZINC000160518476 455468570 /nfs/dbraw/zinc/46/85/70/455468570.db2.gz RDSFWQGHIMLWEU-RDJZCZTQSA-N 1 0 326.444 3.022 20 70 EGIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1cccc(Br)c1 ZINC000160525655 455469415 /nfs/dbraw/zinc/46/94/15/455469415.db2.gz DYXFNNPCFWUKSI-GJZGRUSLSA-N 1 0 349.276 3.405 20 70 EGIDRO C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1Cc1cnc2ccccn12 ZINC000160573921 455475555 /nfs/dbraw/zinc/47/55/55/455475555.db2.gz CLHDZKCRJXXTPX-GOSISDBHSA-N 1 0 334.467 3.431 20 70 EGIDRO CC[C@@H]1c2ccsc2CCN1C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160637153 455483390 /nfs/dbraw/zinc/48/33/90/455483390.db2.gz VCQKDKWRRWVNAW-GOEBONIOSA-N 1 0 333.501 3.251 20 70 EGIDRO CCn1cc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160759107 455495540 /nfs/dbraw/zinc/49/55/40/455495540.db2.gz YMVPGYLWYMCEND-ABSDTBQOSA-N 1 0 326.488 3.464 20 70 EGIDRO Cc1c(C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cnn1CC(C)C ZINC000160885709 455508314 /nfs/dbraw/zinc/50/83/14/455508314.db2.gz FLHOHQYWYBRBDR-OAHLLOKOSA-N 1 0 334.508 3.088 20 70 EGIDRO Cc1ccc(C)c([C@@H](C)[NH2+]CCOc2ccc(S(C)(=O)=O)cc2)c1 ZINC000160893731 455509354 /nfs/dbraw/zinc/50/93/54/455509354.db2.gz SEZHZCRBDLHZFV-MRXNPFEDSA-N 1 0 347.480 3.437 20 70 EGIDRO C[C@H]([NH2+][C@H](CCCO)c1ccccc1)c1ccc(-n2cncn2)cc1 ZINC000160898787 455511022 /nfs/dbraw/zinc/51/10/22/455511022.db2.gz LWGIYEAREZUBCU-OXJNMPFZSA-N 1 0 336.439 3.432 20 70 EGIDRO C[C@H]1CN(C(=O)c2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C[C@H](C)O1 ZINC000160929731 455515003 /nfs/dbraw/zinc/51/50/03/455515003.db2.gz QEQLQFTYAGXPIT-GJZGRUSLSA-N 1 0 342.483 3.214 20 70 EGIDRO CC[N@@H+](Cc1cnn(C(C)(C)C)c1)C[C@H]1COc2ccccc2O1 ZINC000160957194 455517872 /nfs/dbraw/zinc/51/78/72/455517872.db2.gz NVIDUPABONHZIA-INIZCTEOSA-N 1 0 329.444 3.300 20 70 EGIDRO CSCC[C@H]([NH3+])C(=O)NCc1ccc(-c2cccc(C)c2)cc1 ZINC000161006056 455523087 /nfs/dbraw/zinc/52/30/87/455523087.db2.gz QMAQFWKIAPACNT-SFHVURJKSA-N 1 0 328.481 3.359 20 70 EGIDRO CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnn(-c2cc(C)ccc2C)c1C ZINC000161085959 455531940 /nfs/dbraw/zinc/53/19/40/455531940.db2.gz ZWIKKPDGXMTMNM-KRWDZBQOSA-N 1 0 340.471 3.012 20 70 EGIDRO CCC[C@H](NC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1)c1ccccc1 ZINC000161108361 455535124 /nfs/dbraw/zinc/53/51/24/455535124.db2.gz RCWYQXSSVIQSQL-SVFBPWRDSA-N 1 0 344.499 3.271 20 70 EGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000161167947 455542776 /nfs/dbraw/zinc/54/27/76/455542776.db2.gz CWEMAOFXFRNFED-KXBFYZLASA-N 1 0 344.503 3.496 20 70 EGIDRO CCN1CCCC[C@H]1C[NH2+][C@@H](C)c1ccc(N2CCOC2=O)cc1 ZINC000161168458 455543019 /nfs/dbraw/zinc/54/30/19/455543019.db2.gz SIRSUHWXEPJMCS-YJBOKZPZSA-N 1 0 331.460 3.168 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(C(=O)NC2CCCC2)cc1 ZINC000161174811 455544227 /nfs/dbraw/zinc/54/42/27/455544227.db2.gz SEUVMQMWNQGGSC-UHFFFAOYSA-N 1 0 331.460 3.063 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)n1 ZINC000161207315 455548659 /nfs/dbraw/zinc/54/86/59/455548659.db2.gz SUTFTKUQQPOMEU-UHFFFAOYSA-N 1 0 335.496 3.360 20 70 EGIDRO C[NH2+]C[C@H]1CCCN1C(=O)CSc1cc(Cl)ccc1Cl ZINC000161242740 455552218 /nfs/dbraw/zinc/55/22/18/455552218.db2.gz AOZZYFKYIGHIFW-LLVKDONJSA-N 1 0 333.284 3.296 20 70 EGIDRO C[C@H](CC(=O)c1ccc(F)cc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000161249754 455552457 /nfs/dbraw/zinc/55/24/57/455552457.db2.gz KHVAXNZFPDKYBT-CQSZACIVSA-N 1 0 342.414 3.279 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2cnc(-c3ccccc3Cl)s2)C1 ZINC000161271781 455554793 /nfs/dbraw/zinc/55/47/93/455554793.db2.gz LOEJCMPRZPRHSZ-MNOVXSKESA-N 1 0 335.860 3.463 20 70 EGIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000161310921 455558396 /nfs/dbraw/zinc/55/83/96/455558396.db2.gz XNZYKUPXBMXKBF-CYBMUJFWSA-N 1 0 346.862 3.047 20 70 EGIDRO [NH3+][C@@H]1CC[C@H](C(=O)NC2(c3cccc(C(F)(F)F)c3)CCC2)C1 ZINC000161321328 455559036 /nfs/dbraw/zinc/55/90/36/455559036.db2.gz BNOXFBUNZANMQE-SMDDNHRTSA-N 1 0 326.362 3.328 20 70 EGIDRO O=C(N[C@@H](C[NH+]1CCCC1)c1ccccc1)c1ccnc(Cl)c1F ZINC000161359402 455563103 /nfs/dbraw/zinc/56/31/03/455563103.db2.gz GKTNWWKDXGQMBZ-HNNXBMFYSA-N 1 0 347.821 3.441 20 70 EGIDRO CCCCc1ccc(C(=O)CCC(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000161375967 455564594 /nfs/dbraw/zinc/56/45/94/455564594.db2.gz MJTQUEROXZDQQB-GOSISDBHSA-N 1 0 330.472 3.203 20 70 EGIDRO CCOc1ccc(-c2nc(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)cs2)cc1 ZINC000161421569 455568708 /nfs/dbraw/zinc/56/87/08/455568708.db2.gz HKPVZQDHYAVDCT-KBPBESRZSA-N 1 0 345.468 3.209 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCc2ncc(-c3ccccc3)o2)C1 ZINC000161423709 455569241 /nfs/dbraw/zinc/56/92/41/455569241.db2.gz IDCPTDOBAUPIGY-HOTGVXAUSA-N 1 0 327.428 3.050 20 70 EGIDRO Cc1ccc(-c2nc(CC(=O)N[C@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000161432701 455570393 /nfs/dbraw/zinc/57/03/93/455570393.db2.gz UKXIJEANWDHNKJ-CABCVRRESA-N 1 0 329.469 3.047 20 70 EGIDRO CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)NCCCOC(C)C)C1 ZINC000217142239 456031522 /nfs/dbraw/zinc/03/15/22/456031522.db2.gz BTPAQAWFSVODEM-MRXNPFEDSA-N 1 0 327.513 3.001 20 70 EGIDRO Cc1ccc(CCNC(=O)N2CCC[C@@H]2C[NH+]2CCCCC2)cc1 ZINC000217225199 456032805 /nfs/dbraw/zinc/03/28/05/456032805.db2.gz BVSDTZGMDMCUCE-LJQANCHMSA-N 1 0 329.488 3.197 20 70 EGIDRO C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000160281738 534238499 /nfs/dbraw/zinc/23/84/99/534238499.db2.gz CXGLVCZRDYXSIO-ZFWWWQNUSA-N 1 0 342.405 3.294 20 70 EGIDRO CC(C)([NH3+])CNC(=O)CCCSc1ccc(Br)cc1 ZINC000160001743 527244697 /nfs/dbraw/zinc/24/46/97/527244697.db2.gz YUEFLOOUJVCOPY-UHFFFAOYSA-N 1 0 345.306 3.175 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000160206358 527884739 /nfs/dbraw/zinc/88/47/39/527884739.db2.gz PPWMJFRFJDRUAM-UHFFFAOYSA-N 1 0 335.496 3.314 20 70 EGIDRO CC(C)c1ccc(NC(=O)C(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000160229934 528110395 /nfs/dbraw/zinc/11/03/95/528110395.db2.gz WNZABQBNPJDNHH-UHFFFAOYSA-N 1 0 339.439 3.449 20 70 EGIDRO CC[NH+](CC)Cc1ccccc1CNC(=O)N[C@@H]1CCOC(C)(C)C1 ZINC000161478140 528198157 /nfs/dbraw/zinc/19/81/57/528198157.db2.gz WOZUIAZSRBOMSS-GOSISDBHSA-N 1 0 347.503 3.285 20 70 EGIDRO CC(C)c1ncc(Cl)c(C(=O)NCC[NH2+]C2CCCCCC2)n1 ZINC000159625727 528354859 /nfs/dbraw/zinc/35/48/59/528354859.db2.gz HGQYSKLSOKTQBJ-UHFFFAOYSA-N 1 0 338.883 3.296 20 70 EGIDRO CCOCCC[N@@H+]1CC[C@@H](NC(=O)/C=C/c2ccc(CC)o2)[C@@H](C)C1 ZINC000160061607 528662205 /nfs/dbraw/zinc/66/22/05/528662205.db2.gz RVQSEMKQKHWUAP-AUEOTKQJSA-N 1 0 348.487 3.108 20 70 EGIDRO CCOCCC[N@@H+]1CC[C@H](NC(=O)/C=C/c2ccc(CC)o2)[C@@H](C)C1 ZINC000160061692 528666189 /nfs/dbraw/zinc/66/61/89/528666189.db2.gz RVQSEMKQKHWUAP-FCGLOEDJSA-N 1 0 348.487 3.108 20 70 EGIDRO CCCn1c(C)nnc1CN(C)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160133446 528811779 /nfs/dbraw/zinc/81/17/79/528811779.db2.gz VANPOTSEEDHTBW-IBGZPJMESA-N 1 0 341.503 3.093 20 70 EGIDRO C[C@H](CC(=O)NCC1([NH+]2CCSCC2)CCCC1)c1ccncc1 ZINC000159980608 546942401 /nfs/dbraw/zinc/94/24/01/546942401.db2.gz NOIYGCOLUURMNK-MRXNPFEDSA-N 1 0 347.528 3.053 20 70 EGIDRO O=C(C[NH2+][C@H]1CCc2c1ccc(Cl)c2Cl)NCC(F)(F)F ZINC000160623559 546948732 /nfs/dbraw/zinc/94/87/32/546948732.db2.gz AIDDYSCERQBTLT-JTQLQIEISA-N 1 0 341.160 3.249 20 70 EGIDRO CC[C@H](NC(=O)N1CCC[N@H+](CC)CC1)c1cc(F)ccc1F ZINC000159894833 529488765 /nfs/dbraw/zinc/48/87/65/529488765.db2.gz OPHCLEQGUVSAPZ-INIZCTEOSA-N 1 0 325.403 3.153 20 70 EGIDRO CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C(=O)c1cccc2nc[nH]c21 ZINC000159746871 529970809 /nfs/dbraw/zinc/97/08/09/529970809.db2.gz NPKWSUPSBRLGRY-QGZVFWFLSA-N 1 0 348.450 3.157 20 70 EGIDRO COc1ccc(-c2ccc(C(=O)N3CCC[C@@H]3C[NH3+])c(F)c2)c(F)c1 ZINC000160260454 225373008 /nfs/dbraw/zinc/37/30/08/225373008.db2.gz CEAOOHHARZLVQD-CYBMUJFWSA-N 1 0 346.377 3.204 20 70 EGIDRO C[C@H]([NH2+]CC1CCN(C(=O)OC(C)(C)C)CC1)c1cscn1 ZINC000218239198 266194727 /nfs/dbraw/zinc/19/47/27/266194727.db2.gz FCTCQOIEYXSARM-LBPRGKRZSA-N 1 0 325.478 3.441 20 70 EGIDRO CN(C)c1ccc(C(=O)NC2CC[NH+](C3CCCC3)CC2)c(F)c1 ZINC000160957380 276801011 /nfs/dbraw/zinc/80/10/11/276801011.db2.gz SFUTZZCKKMRQLA-UHFFFAOYSA-N 1 0 333.451 3.029 20 70 EGIDRO C[C@H]([NH2+]Cc1ccccc1CN1CCOCC1)c1cccnc1Cl ZINC000160448561 278266838 /nfs/dbraw/zinc/26/68/38/278266838.db2.gz YOMHEXXCPAPKBS-HNNXBMFYSA-N 1 0 345.874 3.418 20 70 EGIDRO CC[C@]1(C)C[C@H]1C(=O)NC[C@@H](c1ccc(OC)cc1)[NH+]1CCCC1 ZINC000159490544 307874776 /nfs/dbraw/zinc/87/47/76/307874776.db2.gz KHUNCNDBBYLLRV-CMKODMSKSA-N 1 0 330.472 3.385 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)c1C ZINC000159899794 307881964 /nfs/dbraw/zinc/88/19/64/307881964.db2.gz NAPVZAMLHIEGNR-HNNXBMFYSA-N 1 0 335.496 3.235 20 70 EGIDRO CCOc1cc2[nH+]ccc(NCC(C)(C)C(=O)NC)c2cc1OCC ZINC000161089248 307898346 /nfs/dbraw/zinc/89/83/46/307898346.db2.gz CETTXXCWHQCWGY-UHFFFAOYSA-N 1 0 345.443 3.216 20 70 EGIDRO C[C@H](C(=O)N1CCC[C@H]([NH+](C)C)C1)c1ccc(Br)cc1 ZINC000161233337 307900359 /nfs/dbraw/zinc/90/03/59/307900359.db2.gz ZTMWCKQSYKZAPX-WFASDCNBSA-N 1 0 339.277 3.105 20 70 EGIDRO C[C@@H](CNC(=O)c1cc(F)cc2cccnc21)C[NH+]1CCCCC1 ZINC000161386039 307902080 /nfs/dbraw/zinc/90/20/80/307902080.db2.gz BOTQNPHSMJHCEN-AWEZNQCLSA-N 1 0 329.419 3.226 20 70 EGIDRO O=C(Cc1c[nH]c2ccc(Cl)cc12)N1CC[NH+](C2CCCC2)CC1 ZINC000159512396 455381633 /nfs/dbraw/zinc/38/16/33/455381633.db2.gz FDPARMXSDVRFBD-UHFFFAOYSA-N 1 0 345.874 3.451 20 70 EGIDRO CCOc1cc(Cl)ccc1CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000159868638 455411797 /nfs/dbraw/zinc/41/17/97/455411797.db2.gz HJDPRSJBNOTUQX-LBPRGKRZSA-N 1 0 339.867 3.021 20 70 EGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCC(C)CC2)nc1 ZINC000160505471 455467591 /nfs/dbraw/zinc/46/75/91/455467591.db2.gz WVRWNIGYMWYASP-KRWDZBQOSA-N 1 0 346.519 3.055 20 70 EGIDRO Cc1cc(NC(=O)N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1N(C)C ZINC000160792449 455498688 /nfs/dbraw/zinc/49/86/88/455498688.db2.gz AIYGCTNPAMYLPA-YJBOKZPZSA-N 1 0 330.476 3.009 20 70 EGIDRO CSCC[C@@H]([NH3+])C(=O)Nc1ccc(Nc2nc(C)cs2)cc1 ZINC000159423334 455376058 /nfs/dbraw/zinc/37/60/58/455376058.db2.gz XETSLGKATAVODE-CYBMUJFWSA-N 1 0 336.486 3.214 20 70 EGIDRO CCOC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159575924 455385739 /nfs/dbraw/zinc/38/57/39/455385739.db2.gz YYCBVXLVIBSCGI-VQIMIIECSA-N 1 0 326.440 3.251 20 70 EGIDRO CCC[C@@H]1CN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000159565937 455386274 /nfs/dbraw/zinc/38/62/74/455386274.db2.gz XURPQVQOYYPXAX-RTBURBONSA-N 1 0 345.487 3.034 20 70 EGIDRO CC[N@H+](Cc1ccc(C(=O)NCCc2cccnc2)cc1)C(C)C ZINC000159566627 455386573 /nfs/dbraw/zinc/38/65/73/455386573.db2.gz ZFLNNERQDPBKEA-UHFFFAOYSA-N 1 0 325.456 3.284 20 70 EGIDRO COC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)C1CC1 ZINC000159596983 455388408 /nfs/dbraw/zinc/38/84/08/455388408.db2.gz QKXVPWVINRGXNW-UXHICEINSA-N 1 0 338.451 3.251 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2ccc(Cl)cc2)CC1 ZINC000159724451 455398808 /nfs/dbraw/zinc/39/88/08/455398808.db2.gz NANDFJRYJCMKQM-UHFFFAOYSA-N 1 0 337.895 3.355 20 70 EGIDRO Cc1cnn(-c2ccc(NC(=O)C[C@@H](C)[C@H]3CCC[NH2+]C3)cc2F)c1 ZINC000159777417 455402652 /nfs/dbraw/zinc/40/26/52/455402652.db2.gz VZDMXCOVXLJWEF-CABCVRRESA-N 1 0 344.434 3.284 20 70 EGIDRO C[NH+](C)C[C@@H](NC(=O)Cc1ccc(O)cc1Cl)c1ccccc1 ZINC000159805108 455406047 /nfs/dbraw/zinc/40/60/47/455406047.db2.gz ABYNRWLKJIQBTO-QGZVFWFLSA-N 1 0 332.831 3.007 20 70 EGIDRO CS[C@H]1CCC[C@H](NC(=O)N2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000160273410 455444308 /nfs/dbraw/zinc/44/43/08/455444308.db2.gz OVOVTKUCNNYYKL-ULQDDVLXSA-N 1 0 339.549 3.321 20 70 EGIDRO C[C@]1(CNC(=O)N[C@@H](C[NH+]2CCCC2)c2ccccc2)CCCS1 ZINC000160309832 455447747 /nfs/dbraw/zinc/44/77/47/455447747.db2.gz ZNOBACQYONRXSZ-PKOBYXMFSA-N 1 0 347.528 3.408 20 70 EGIDRO CC[C@H]([NH2+][C@H]1CCc2nc(C)nn2C1)c1ccccc1OC(F)F ZINC000160497446 455466894 /nfs/dbraw/zinc/46/68/94/455466894.db2.gz ZQBXWHHHJKRDBV-JSGCOSHPSA-N 1 0 336.386 3.244 20 70 EGIDRO CCN(C(=O)N[C@H]1CC[N@H+](CC2CC2)C1)[C@@H](C)c1ccc(F)cc1 ZINC000160618182 455480872 /nfs/dbraw/zinc/48/08/72/455480872.db2.gz CESQOWHXCYNCQU-KSSFIOAISA-N 1 0 333.451 3.403 20 70 EGIDRO C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)c2ccc(N(C)C)cc2F)C1 ZINC000160693089 455489331 /nfs/dbraw/zinc/48/93/31/455489331.db2.gz JPARUFNQVIIWLL-CQSZACIVSA-N 1 0 335.467 3.132 20 70 EGIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@H](Cc1ccccc1)c1ccccc1F ZINC000160726148 455492052 /nfs/dbraw/zinc/49/20/52/455492052.db2.gz SVISXFGBVNKZCL-QFBILLFUSA-N 1 0 326.415 3.368 20 70 EGIDRO CCCOc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1OCCC ZINC000160916945 455513349 /nfs/dbraw/zinc/51/33/49/455513349.db2.gz UIEHNPBLMUVMPT-HOTGVXAUSA-N 1 0 334.460 3.264 20 70 EGIDRO CCc1nnc(NC(=O)NC(C)(C)C[N@H+](C)Cc2ccccc2)s1 ZINC000160927522 455514738 /nfs/dbraw/zinc/51/47/38/455514738.db2.gz KVLHBBSRFZEJGE-UHFFFAOYSA-N 1 0 347.488 3.133 20 70 EGIDRO CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)N2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000160927508 455515164 /nfs/dbraw/zinc/51/51/64/455515164.db2.gz XBBIBJBQJHAXJK-NXOAAHMSSA-N 1 0 332.488 3.460 20 70 EGIDRO C[C@@H](c1ccc([S@](C)=O)cc1)N(C)Cc1cnc2ccccn12 ZINC000160935084 455515530 /nfs/dbraw/zinc/51/55/30/455515530.db2.gz KQFSQAFHXBQXLA-LFVRLGFBSA-N 1 0 327.453 3.265 20 70 EGIDRO C[C@@H]([NH2+][C@H](CCO)c1ccccc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000160939008 455515997 /nfs/dbraw/zinc/51/59/97/455515997.db2.gz SZMIJCGMNSRHGN-DYESRHJHSA-N 1 0 342.483 3.401 20 70 EGIDRO [NH3+]CCOc1ccc(NC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1 ZINC000160966705 455519738 /nfs/dbraw/zinc/51/97/38/455519738.db2.gz XIRNAOUPHAQNAR-VXGBXAGGSA-N 1 0 330.350 3.331 20 70 EGIDRO CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H](C)c2c(C)n[nH]c2C)CC1 ZINC000160991536 455520931 /nfs/dbraw/zinc/52/09/31/455520931.db2.gz KVNNAPNDBNIMEC-OAHLLOKOSA-N 1 0 348.535 3.491 20 70 EGIDRO CO[C@@H]1CCN(Cc2ccc(Cl)c(Br)c2)[C@H](C[NH3+])C1 ZINC000160992288 455521335 /nfs/dbraw/zinc/52/13/35/455521335.db2.gz DGGXYCNJRPUGQG-NWDGAFQWSA-N 1 0 347.684 3.041 20 70 EGIDRO C[C@H](O)C[C@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160998455 455522174 /nfs/dbraw/zinc/52/21/74/455522174.db2.gz IWDMUYKJJYNHEU-CMPLNLGQSA-N 1 0 338.249 3.061 20 70 EGIDRO COCc1c(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)sc2cccc(F)c21 ZINC000161117364 455536229 /nfs/dbraw/zinc/53/62/29/455536229.db2.gz HYCJVEHHHIMNER-MNOVXSKESA-N 1 0 336.432 3.187 20 70 EGIDRO CS[C@H]1CCC[C@@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000161123419 455537408 /nfs/dbraw/zinc/53/74/08/455537408.db2.gz OANNUZOJGIFCFR-SJORKVTESA-N 1 0 332.513 3.098 20 70 EGIDRO CCc1ccc([C@@H](C[NH2+]C2CCC3(CC2)OCCO3)N(C)C)cc1 ZINC000161209730 455548740 /nfs/dbraw/zinc/54/87/40/455548740.db2.gz XFBIRTQKBPSHPD-LJQANCHMSA-N 1 0 332.488 3.127 20 70 EGIDRO CC(C)CO[C@@H]1CCN([C@@H]2CCCN(c3ccccc3F)C2=O)C1 ZINC000161231603 455550347 /nfs/dbraw/zinc/55/03/47/455550347.db2.gz GTZFPYBDUSXVBT-CRAIPNDOSA-N 1 0 334.435 3.068 20 70 EGIDRO CCc1nnc(CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)o1 ZINC000161228086 455550467 /nfs/dbraw/zinc/55/04/67/455550467.db2.gz VCNLKODIYYTLRU-UHFFFAOYSA-N 1 0 343.406 3.226 20 70 EGIDRO Cc1ccc(OCCCC(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000161249121 455552227 /nfs/dbraw/zinc/55/22/27/455552227.db2.gz HQNHZPNZOAFWEH-UHFFFAOYSA-N 1 0 330.472 3.205 20 70 EGIDRO C[C@H]1C[C@@H](c2ccc(F)cc2)CN1C(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000161246193 455552263 /nfs/dbraw/zinc/55/22/63/455552263.db2.gz HRCZPBAPVNABNV-QMIHWGKISA-N 1 0 338.426 3.245 20 70 EGIDRO Cc1c(NC(=O)NC[C@H](C)C[NH+]2CCCCC2)cnn1CCC(C)C ZINC000161384098 455564519 /nfs/dbraw/zinc/56/45/19/455564519.db2.gz FVJKGURNNNLQLQ-INIZCTEOSA-N 1 0 349.523 3.481 20 70 EGIDRO C[C@@H]([NH2+]CC1CCN(C(=O)C(C)(C)C)CC1)c1ccc2c(c1)OCO2 ZINC000161430845 455569646 /nfs/dbraw/zinc/56/96/46/455569646.db2.gz FLMLUORMFQBFIE-CQSZACIVSA-N 1 0 346.471 3.351 20 70 EGIDRO COc1ccccc1C[C@@H](C)CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000161450973 455571185 /nfs/dbraw/zinc/57/11/85/455571185.db2.gz HIFDKXQDAVPKKG-NAZJXLNTSA-N 1 0 330.472 3.005 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CC(C)(C)N[C@@H](C)c2ccccc2)CC1 ZINC000161490646 455574602 /nfs/dbraw/zinc/57/46/02/455574602.db2.gz VVGUTHHOVBLLLS-MNNVXMFVSA-N 1 0 331.504 3.153 20 70 EGIDRO CCOC(=O)c1sc(NC(=O)C[NH2+][C@@H]2CCCC[C@@H]2C)cc1C ZINC000217141909 456031002 /nfs/dbraw/zinc/03/10/02/456031002.db2.gz OVKVIDTZSPSVTE-WCQYABFASA-N 1 0 338.473 3.340 20 70 EGIDRO C[C@@H]1CCC[C@H]([NH2+]CC(=O)Nc2ccc(N3CCCCC3)nc2)[C@@H]1C ZINC000218740321 456035157 /nfs/dbraw/zinc/03/51/57/456035157.db2.gz PVYBNBDZNVQTOB-NUJGCVRESA-N 1 0 344.503 3.425 20 70 EGIDRO C/C=C(\C=C\C(=O)NCc1ccc(OCC[NH+](C)C)c(OC)c1)CC ZINC000159480463 527568804 /nfs/dbraw/zinc/56/88/04/527568804.db2.gz OLKQTCVDXQVGNJ-MLRPWKHXSA-N 1 0 346.471 3.164 20 70 EGIDRO CC(C)Oc1ccc(C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000160074416 528161293 /nfs/dbraw/zinc/16/12/93/528161293.db2.gz DUHAOTKDTUCUOC-AWEZNQCLSA-N 1 0 328.412 3.491 20 70 EGIDRO CC[C@@H]([NH2+]C1CCN(C(=O)c2ccc(OC)cc2OC)CC1)C1CC1 ZINC000159993261 535802725 /nfs/dbraw/zinc/80/27/25/535802725.db2.gz LQBHBUDHPSYRDB-GOSISDBHSA-N 1 0 346.471 3.087 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)N2CCC([NH+]3CCCC3)CC2)n1 ZINC000159632925 140942765 /nfs/dbraw/zinc/94/27/65/140942765.db2.gz LOWZDTKXVPHENF-UHFFFAOYSA-N 1 0 333.480 3.021 20 70 EGIDRO CC(C)[NH+](CCSCC(=O)N1CCc2sccc2C1)C(C)C ZINC000160967948 152769716 /nfs/dbraw/zinc/76/97/16/152769716.db2.gz NFWMDWYPILSQIW-UHFFFAOYSA-N 1 0 340.558 3.485 20 70 EGIDRO Cc1c(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)cnn1CCC(C)C ZINC000161384021 264892644 /nfs/dbraw/zinc/89/26/44/264892644.db2.gz FVJKGURNNNLQLQ-MRXNPFEDSA-N 1 0 349.523 3.481 20 70 EGIDRO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000216718608 266192755 /nfs/dbraw/zinc/19/27/55/266192755.db2.gz XOYBIHIWSITIHC-HNNXBMFYSA-N 1 0 346.471 3.417 20 70 EGIDRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CCc2c1ccc(Cl)c2Cl ZINC000160083271 278132800 /nfs/dbraw/zinc/13/28/00/278132800.db2.gz WKONDQUEOKSILT-NWDGAFQWSA-N 1 0 333.284 3.177 20 70 EGIDRO C[C@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000160490080 278254100 /nfs/dbraw/zinc/25/41/00/278254100.db2.gz NGVKBLSSTOGVEC-WNSKOXEYSA-N 1 0 334.529 3.482 20 70 EGIDRO C[C@@H]1CN(C(=O)c2ccc3cc(Br)ccc3c2)CC[NH2+]1 ZINC000159556046 278688545 /nfs/dbraw/zinc/68/85/45/278688545.db2.gz LLELXJACIQVEQB-LLVKDONJSA-N 1 0 333.229 3.036 20 70 EGIDRO C[C@H](NC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)c1cccc(O)c1 ZINC000159774378 289830388 /nfs/dbraw/zinc/83/03/88/289830388.db2.gz DALMKRRJGKMMAJ-RDJZCZTQSA-N 1 0 331.460 3.113 20 70 EGIDRO C[NH+](C)CCN(C(=O)NCCCOC1CCCCC1)C1CCCC1 ZINC000159392843 307873330 /nfs/dbraw/zinc/87/33/30/307873330.db2.gz JOSATKFGJJLDAL-UHFFFAOYSA-N 1 0 339.524 3.242 20 70 EGIDRO CC(C)C(=O)NCCC[NH2+][C@@H](C)c1ccccc1Br ZINC000159974969 307883119 /nfs/dbraw/zinc/88/31/19/307883119.db2.gz GXTCYSQWLMPZTQ-LBPRGKRZSA-N 1 0 327.266 3.262 20 70 EGIDRO C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)NC[C@]2(C)CCCS2)C1 ZINC000160406121 307889304 /nfs/dbraw/zinc/88/93/04/307889304.db2.gz VJHSUACQJIQEMQ-NUJGCVRESA-N 1 0 341.565 3.329 20 70 EGIDRO CN(CCCCNC(=O)c1ccc(C[NH+](C)C)cc1)c1ccccc1 ZINC000160919947 307896005 /nfs/dbraw/zinc/89/60/05/307896005.db2.gz CQCNPYAVGVLNAC-UHFFFAOYSA-N 1 0 339.483 3.395 20 70 EGIDRO Cc1c(C(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cnn1CC(C)C ZINC000161018619 307897514 /nfs/dbraw/zinc/89/75/14/307897514.db2.gz JJABVLCVRMHZBV-BEFAXECRSA-N 1 0 334.508 3.088 20 70 EGIDRO Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)c(Br)c1 ZINC000161221931 455549030 /nfs/dbraw/zinc/54/90/30/455549030.db2.gz VGTINOZSKYZAIW-GFCCVEGCSA-N 1 0 337.261 3.162 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCc2ccc(F)cc2C(F)(F)F)CC1 ZINC000159591583 455387538 /nfs/dbraw/zinc/38/75/38/455387538.db2.gz XPGXAOFVNISMLP-UHFFFAOYSA-N 1 0 347.356 3.082 20 70 EGIDRO O=C(c1ccc(N2CCCC2)c(F)c1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159839601 455408106 /nfs/dbraw/zinc/40/81/06/455408106.db2.gz HDLOIQIGFFTIPU-UHFFFAOYSA-N 1 0 345.462 3.030 20 70 EGIDRO COc1ccc([C@@H](C)[C@@H](C)[NH2+][C@H](C(N)=O)c2ccc(F)cc2)cc1 ZINC000159707996 455397098 /nfs/dbraw/zinc/39/70/98/455397098.db2.gz FCDMPKWILBSIEK-JCGVRSQUSA-N 1 0 330.403 3.143 20 70 EGIDRO Cc1noc(C)c1[C@@H](C)CNC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000159944597 455417564 /nfs/dbraw/zinc/41/75/64/455417564.db2.gz IPKVXWNBGMKTHS-AWEZNQCLSA-N 1 0 338.496 3.203 20 70 EGIDRO CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(F)c(Br)c1 ZINC000160183048 455434720 /nfs/dbraw/zinc/43/47/20/455434720.db2.gz YCOOZOQMQLDDJV-MWLCHTKSSA-N 1 0 336.270 3.353 20 70 EGIDRO C[N@H+](CCOCC1CC1)C1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000160685388 455487876 /nfs/dbraw/zinc/48/78/76/455487876.db2.gz DUJBHCPSLSUVHM-SJPCQFCGSA-N 1 0 338.492 3.275 20 70 EGIDRO COCC[NH2+]CC(=O)Nc1cccc(CSC2CCCCC2)c1 ZINC000159399068 455374442 /nfs/dbraw/zinc/37/44/42/455374442.db2.gz POWCMVRMBIWHFI-UHFFFAOYSA-N 1 0 336.501 3.427 20 70 EGIDRO C[C@@H]1CC[C@H](C)[N@H+]1CCN1CCN(C(=O)C2CCC(C)(C)CC2)CC1 ZINC000159655435 455393298 /nfs/dbraw/zinc/39/32/98/455393298.db2.gz PQTUIRPVOUFONF-HDICACEKSA-N 1 0 349.563 3.220 20 70 EGIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159686445 455395970 /nfs/dbraw/zinc/39/59/70/455395970.db2.gz TWERRIFAALFJBB-WQVCFCJDSA-N 1 0 340.389 3.237 20 70 EGIDRO C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159812294 455405961 /nfs/dbraw/zinc/40/59/61/455405961.db2.gz SAGGZJFIZFVSBC-XUJVJEKNSA-N 1 0 344.377 3.125 20 70 EGIDRO CC[C@H](C[NH2+]C1CCN(CC(F)F)CC1)Oc1ccccc1F ZINC000160318038 455447769 /nfs/dbraw/zinc/44/77/69/455447769.db2.gz ABLZGTXGFSCYMU-CQSZACIVSA-N 1 0 330.394 3.302 20 70 EGIDRO C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)NC[C@]2(C)CCCS2)C1 ZINC000160405864 455455049 /nfs/dbraw/zinc/45/50/49/455455049.db2.gz VJHSUACQJIQEMQ-JZXOWHBKSA-N 1 0 341.565 3.329 20 70 EGIDRO C[C@H](C[C@@H]1CCCN1C(=O)OC(C)(C)C)[NH2+]C[C@H](O)c1ccco1 ZINC000160446282 455460191 /nfs/dbraw/zinc/46/01/91/455460191.db2.gz HVRVFEDKPVNOEB-ILXRZTDVSA-N 1 0 338.448 3.081 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H](C)c1ccc(OCC(C)C)cc1)CC2 ZINC000160453755 455461385 /nfs/dbraw/zinc/46/13/85/455461385.db2.gz PMSITFURMWCMKS-WMLDXEAASA-N 1 0 328.460 3.287 20 70 EGIDRO O=C(NC1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)[C@H]1C[C@@H]1C1CCCCC1 ZINC000160471278 455463504 /nfs/dbraw/zinc/46/35/04/455463504.db2.gz HFPWCISWNPNPAI-WCIQWLHISA-N 1 0 348.531 3.087 20 70 EGIDRO C[C@@H](NC1CC[NH+](C2CCCC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000160490008 455465670 /nfs/dbraw/zinc/46/56/70/455465670.db2.gz NGVKBLSSTOGVEC-IQMFZBJNSA-N 1 0 334.529 3.482 20 70 EGIDRO c1ccc(SCC[NH2+]C2CCN(Cc3cccnc3)CC2)cc1 ZINC000160525881 455469984 /nfs/dbraw/zinc/46/99/84/455469984.db2.gz KDTYAXCYPUFDFT-UHFFFAOYSA-N 1 0 327.497 3.428 20 70 EGIDRO C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160584217 455477699 /nfs/dbraw/zinc/47/76/99/455477699.db2.gz SOEVOWLCMGJDPA-RTXFEEFZSA-N 1 0 343.254 3.114 20 70 EGIDRO O=C(NC[C@H]1CCC[N@H+](Cc2ccncc2)C1)Nc1cccc(F)c1 ZINC000160621342 455481497 /nfs/dbraw/zinc/48/14/97/455481497.db2.gz LQSXNEUEPTWIDV-MRXNPFEDSA-N 1 0 342.418 3.254 20 70 EGIDRO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160645852 455484051 /nfs/dbraw/zinc/48/40/51/455484051.db2.gz VWCPRDVFCQJILQ-JXFKEZNVSA-N 1 0 341.499 3.481 20 70 EGIDRO O=C(CC1CC[NH2+]CC1)N[C@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160691982 455488510 /nfs/dbraw/zinc/48/85/10/455488510.db2.gz PGYSPKJSARELEI-CQSZACIVSA-N 1 0 334.769 3.449 20 70 EGIDRO O=C(C[C@@H]1CCC[NH2+]1)N[C@@H](Cc1ccccc1)c1ccccc1F ZINC000160726026 455492257 /nfs/dbraw/zinc/49/22/57/455492257.db2.gz SVISXFGBVNKZCL-LPHOPBHVSA-N 1 0 326.415 3.368 20 70 EGIDRO CC[C@@H]([NH2+]CCN1C(=O)c2ccccc2C1=O)c1ccc(F)cc1 ZINC000160813081 455501573 /nfs/dbraw/zinc/50/15/73/455501573.db2.gz VAAHVSSRRRUIKD-QGZVFWFLSA-N 1 0 326.371 3.163 20 70 EGIDRO O=C([C@H]1Cc2ccccc2C[NH2+]1)N(Cc1ccc(F)cc1)CC1CC1 ZINC000160910204 455511576 /nfs/dbraw/zinc/51/15/76/455511576.db2.gz HSWPKBVNPJEFLX-HXUWFJFHSA-N 1 0 338.426 3.279 20 70 EGIDRO C[C@@H](Cn1cc(Br)cn1)[NH2+]C[C@H]1CCc2ccccc21 ZINC000160978575 455520612 /nfs/dbraw/zinc/52/06/12/455520612.db2.gz ZEIFCOBRYCMQPH-GXTWGEPZSA-N 1 0 334.261 3.354 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)CC1 ZINC000161011424 455524490 /nfs/dbraw/zinc/52/44/90/455524490.db2.gz YEEIFFHUEZFNAG-UHFFFAOYSA-N 1 0 346.862 3.192 20 70 EGIDRO C[C@H](N[C@H]1CCC[C@H]([NH+](C)C)C1)c1cccc(N2CCCC2=O)c1 ZINC000161079118 455531026 /nfs/dbraw/zinc/53/10/26/455531026.db2.gz FDMJBLGVPDFWNE-SZMVWBNQSA-N 1 0 329.488 3.337 20 70 EGIDRO CC[NH+](CC)[C@@H](C(=O)Nc1ccc(OC)c(N)c1)c1ccccc1 ZINC000161130035 455537858 /nfs/dbraw/zinc/53/78/58/455537858.db2.gz RWGXVWCKZIVEMW-GOSISDBHSA-N 1 0 327.428 3.299 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)CCCOc2ccc(C)c(C)c2)CC1 ZINC000161150067 455539965 /nfs/dbraw/zinc/53/99/65/455539965.db2.gz WMKPGZFGFMBJPS-UHFFFAOYSA-N 1 0 332.488 3.311 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2sc(C)cc2OC(F)F)CC1 ZINC000161147841 455540077 /nfs/dbraw/zinc/54/00/77/455540077.db2.gz IMXHRHXTJGERJO-UHFFFAOYSA-N 1 0 332.416 3.120 20 70 EGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)Cc2nc(C)sc2C)c1 ZINC000161175653 455544515 /nfs/dbraw/zinc/54/45/15/455544515.db2.gz ARGLPRGZIJELMU-UHFFFAOYSA-N 1 0 331.485 3.071 20 70 EGIDRO CCN(CC)[C@@H](C[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000161274301 455555106 /nfs/dbraw/zinc/55/51/06/455555106.db2.gz TXSACRJCWOJDHR-HXUWFJFHSA-N 1 0 346.515 3.215 20 70 EGIDRO O=C(N[C@H](COCc1ccccc1)c1ccccc1)C1CC[NH2+]CC1 ZINC000161304023 455557337 /nfs/dbraw/zinc/55/73/37/455557337.db2.gz IUBMUPGOOZJGEQ-HXUWFJFHSA-N 1 0 338.451 3.060 20 70 EGIDRO CCO[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1(CC)CC ZINC000161319068 455558406 /nfs/dbraw/zinc/55/84/06/455558406.db2.gz ZOAGOQBSDWRLLN-ZWKOTPCHSA-N 1 0 348.487 3.458 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000161323939 455559111 /nfs/dbraw/zinc/55/91/11/455559111.db2.gz ONAHLLIMFPAIOS-WMZOPIPTSA-N 1 0 343.471 3.205 20 70 EGIDRO COc1ccc(NC(=O)[C@H]2CCC[N@H+](Cc3ccccc3)C2)cc1N ZINC000161329001 455560255 /nfs/dbraw/zinc/56/02/55/455560255.db2.gz HYRKXKDRHMGVKP-INIZCTEOSA-N 1 0 339.439 3.128 20 70 EGIDRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161422589 455568626 /nfs/dbraw/zinc/56/86/26/455568626.db2.gz KWYLJZCGZORQAN-LSDHHAIUSA-N 1 0 347.459 3.181 20 70 EGIDRO Cc1cc(N(C)C)ccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000161434143 455570160 /nfs/dbraw/zinc/57/01/60/455570160.db2.gz CRJTXYIQPHZZIR-CRAIPNDOSA-N 1 0 330.476 3.009 20 70 EGIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161465158 455573200 /nfs/dbraw/zinc/57/32/00/455573200.db2.gz PDKRASFYZXVCAZ-UGFHNGPFSA-N 1 0 328.378 3.270 20 70 EGIDRO CC(C)(C)c1ccc([C@H](O)C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161509846 455576055 /nfs/dbraw/zinc/57/60/55/455576055.db2.gz GMHHTVWTWRRZSV-GOSISDBHSA-N 1 0 333.472 3.293 20 70 EGIDRO Cc1c([C@@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccc(F)cc1 ZINC000161082801 533949122 /nfs/dbraw/zinc/94/91/22/533949122.db2.gz CVJCQYRYCBBINH-QBIMZIAESA-N 1 0 345.466 3.238 20 70 EGIDRO [NH3+]CC1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000159643770 534596057 /nfs/dbraw/zinc/59/60/57/534596057.db2.gz TUXRSQIYSIELSU-UHFFFAOYSA-N 1 0 347.256 3.413 20 70 EGIDRO CC(C)(C)c1ccc([C@@H](O)C[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161509942 526789631 /nfs/dbraw/zinc/78/96/31/526789631.db2.gz GMHHTVWTWRRZSV-SFHVURJKSA-N 1 0 333.472 3.293 20 70 EGIDRO CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](c2ccco2)N2CCCC2)C[C@@H]1C ZINC000161482389 527871124 /nfs/dbraw/zinc/87/11/24/527871124.db2.gz NOMKNYDCULBJNP-FJIDUMEYSA-N 1 0 348.487 3.374 20 70 EGIDRO CC[C@@H](C)N(C)CC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000160083477 529343744 /nfs/dbraw/zinc/34/37/44/529343744.db2.gz IVJYELHNNJMWAS-SJORKVTESA-N 1 0 344.503 3.380 20 70 EGIDRO Cc1csc(CCCC[NH2+][C@@H](C)c2cccc(-n3cnnn3)c2)n1 ZINC000160639408 546949443 /nfs/dbraw/zinc/94/94/43/546949443.db2.gz WJPJKZNPHDFWTH-AWEZNQCLSA-N 1 0 342.472 3.101 20 70 EGIDRO CCc1ncc(C(=O)NC2CCC([NH+]3CCC(C)CC3)CC2)s1 ZINC000161473326 546955876 /nfs/dbraw/zinc/95/58/76/546955876.db2.gz RPGDZVNLHLKHSM-UHFFFAOYSA-N 1 0 335.517 3.478 20 70 EGIDRO C[C@@H](CCn1cccn1)[NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1 ZINC000159493560 140939114 /nfs/dbraw/zinc/93/91/14/140939114.db2.gz JEOUJAHLOZKWHK-UONOGXRCSA-N 1 0 336.842 3.323 20 70 EGIDRO Cc1cc(F)ccc1-c1ccc(C[NH+]2CCC(CC(N)=O)CC2)o1 ZINC000159774096 225275088 /nfs/dbraw/zinc/27/50/88/225275088.db2.gz ZFWRHOFHFZXQNZ-UHFFFAOYSA-N 1 0 330.403 3.482 20 70 EGIDRO O=C([C@@H]1C[C@H]1c1c(F)cccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159789565 225277988 /nfs/dbraw/zinc/27/79/88/225277988.db2.gz NSQOFJNYGUXUFL-HUUCEWRRSA-N 1 0 334.410 3.059 20 70 EGIDRO C[C@H](CCOc1ccccc1)C(=O)N1CCC([NH2+]CC2CC2)CC1 ZINC000159865384 225292674 /nfs/dbraw/zinc/29/26/74/225292674.db2.gz XZBZSHGJARVCDH-MRXNPFEDSA-N 1 0 330.472 3.082 20 70 EGIDRO c1sc(-c2ccccn2)nc1C[NH2+][C@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000159642833 225253128 /nfs/dbraw/zinc/25/31/28/225253128.db2.gz IHXGRSCMPYZQRV-KBMXLJTQSA-N 1 0 327.453 3.252 20 70 EGIDRO COCc1cccc(CNC(=O)N2CCC(CCC[NH+](C)C)CC2)c1 ZINC000160272954 225377435 /nfs/dbraw/zinc/37/74/35/225377435.db2.gz FNWBKFCLVWDIMC-UHFFFAOYSA-N 1 0 347.503 3.096 20 70 EGIDRO C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000160281613 225379157 /nfs/dbraw/zinc/37/91/57/225379157.db2.gz CXGLVCZRDYXSIO-UKRRQHHQSA-N 1 0 342.405 3.294 20 70 EGIDRO [NH3+]C1(CNC(=O)[C@@H]2C[C@H]2c2ccccc2OC(F)F)CCCCC1 ZINC000159724190 264863332 /nfs/dbraw/zinc/86/33/32/264863332.db2.gz ROQPNGZYXVMCKF-UONOGXRCSA-N 1 0 338.398 3.169 20 70 EGIDRO CC[NH+](CC)[C@@H]1CCN(C(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160775231 275195961 /nfs/dbraw/zinc/19/59/61/275195961.db2.gz VHHDZWFXZBNHAH-GOSISDBHSA-N 1 0 329.488 3.135 20 70 EGIDRO CCCOc1ccc(-c2nc(C(=O)N3CCC[C@H]3C[NH3+])cs2)cc1 ZINC000160258962 276019612 /nfs/dbraw/zinc/01/96/12/276019612.db2.gz COPBVBDRVDZIMT-AWEZNQCLSA-N 1 0 345.468 3.162 20 70 EGIDRO C[NH2+]C[C@@H]1CCCN1C(=O)C[C@@H](C)c1ccccc1C(F)(F)F ZINC000161357097 277027014 /nfs/dbraw/zinc/02/70/14/277027014.db2.gz JZFKTFNCILCSAP-OLZOCXBDSA-N 1 0 328.378 3.409 20 70 EGIDRO CC(C)[C@H]([NH2+]C1CCC2(CC1)OCCO2)c1ccc2c(c1)OCCO2 ZINC000161231518 280320902 /nfs/dbraw/zinc/32/09/02/280320902.db2.gz LVYVTFNPNZMFIL-IBGZPJMESA-N 1 0 347.455 3.430 20 70 EGIDRO CCC[C@H]1CN(C(=O)N[C@H](C[NH+]2CCCC2)c2ccccc2)CCO1 ZINC000159566059 307875908 /nfs/dbraw/zinc/87/59/08/307875908.db2.gz XURPQVQOYYPXAX-RBUKOAKNSA-N 1 0 345.487 3.034 20 70 EGIDRO CCCCn1ncc(NC(=O)NC[C@H](c2ccccc2)[NH+](C)C)c1C ZINC000160118395 307885026 /nfs/dbraw/zinc/88/50/26/307885026.db2.gz JNKFGHLYFPVFDI-GOSISDBHSA-N 1 0 343.475 3.416 20 70 EGIDRO CC[C@@H](C(=O)NCC(C)(C)c1cccc(Br)c1)[NH+](C)C ZINC000160350087 307888411 /nfs/dbraw/zinc/88/84/11/307888411.db2.gz HDECJIFIRPTOHY-AWEZNQCLSA-N 1 0 341.293 3.183 20 70 EGIDRO C[NH+](C)[C@H](CNC(=O)c1ccc(CCC(F)(F)F)cc1)C1CC1 ZINC000159578391 455387445 /nfs/dbraw/zinc/38/74/45/455387445.db2.gz RXQSRLUIWYFPSB-OAHLLOKOSA-N 1 0 328.378 3.252 20 70 EGIDRO CCc1ccc([C@H](CNC(=O)C2(CCOC)CCC2)[NH+](C)C)cc1 ZINC000159652883 455392665 /nfs/dbraw/zinc/39/26/65/455392665.db2.gz MAWIVYYONSAVRZ-SFHVURJKSA-N 1 0 332.488 3.175 20 70 EGIDRO OCCOCC[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000159783760 455403495 /nfs/dbraw/zinc/40/34/95/455403495.db2.gz GJZKDTCYZUVTKN-UHFFFAOYSA-N 1 0 339.794 3.370 20 70 EGIDRO CC(C)Cn1ncc(C(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1C1CC1 ZINC000159779768 455403518 /nfs/dbraw/zinc/40/35/18/455403518.db2.gz RDWYFRPOOVYZIA-INIZCTEOSA-N 1 0 346.519 3.124 20 70 EGIDRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000160183970 455434905 /nfs/dbraw/zinc/43/49/05/455434905.db2.gz DIIFSWZHURLHDJ-CYBMUJFWSA-N 1 0 330.394 3.340 20 70 EGIDRO COc1cc([C@H](C)[NH2+][C@H](CCO)CSC)ccc1OC(F)F ZINC000160215827 455438712 /nfs/dbraw/zinc/43/87/12/455438712.db2.gz ZPBJCBRGCALEOT-CMPLNLGQSA-N 1 0 335.416 3.061 20 70 EGIDRO Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@@H]1CSCN1 ZINC000160843906 455504392 /nfs/dbraw/zinc/50/43/92/455504392.db2.gz XFEZJYRWUILAKU-KRWDZBQOSA-N 1 0 328.437 3.175 20 70 EGIDRO C[C@@H](Cc1ccccc1Cl)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000160770931 455497143 /nfs/dbraw/zinc/49/71/43/455497143.db2.gz SRUSQXQRADKHLL-ZVZYQTTQSA-N 1 0 334.891 3.461 20 70 EGIDRO O=C(NC1CC[NH+](Cc2ccccc2)CC1)c1ccnc(Cl)c1F ZINC000160772332 455497377 /nfs/dbraw/zinc/49/73/77/455497377.db2.gz MLZBVCCNNFSZSN-UHFFFAOYSA-N 1 0 347.821 3.269 20 70 EGIDRO CCC[C@H]1CN(C(=O)Nc2ccc3[nH]ccc3c2)CC[N@@H+]1CCOC ZINC000160776145 455497384 /nfs/dbraw/zinc/49/73/84/455497384.db2.gz WHFLVIFVMWTHBO-KRWDZBQOSA-N 1 0 344.459 3.133 20 70 EGIDRO CCc1nc(C2(NCc3c(C)nc4ccccn43)CCCC2)no1 ZINC000160842943 455505010 /nfs/dbraw/zinc/50/50/10/455505010.db2.gz CLTUNHLTTXLVTD-UHFFFAOYSA-N 1 0 325.416 3.147 20 70 EGIDRO CC[C@H](NC(=O)NC[C@H]1CCC[N@H+](C)C1)c1ccc(F)cc1F ZINC000159447444 455377121 /nfs/dbraw/zinc/37/71/21/455377121.db2.gz WWEAOACRLSOMMX-WBMJQRKESA-N 1 0 325.403 3.057 20 70 EGIDRO O=C(NCC[NH2+]C1CCCCCC1)c1ccc(OC(F)F)cc1 ZINC000159620903 455390214 /nfs/dbraw/zinc/39/02/14/455390214.db2.gz QKSZYNFVLCLHGR-UHFFFAOYSA-N 1 0 326.387 3.330 20 70 EGIDRO COc1cc(CCC(=O)NCC[NH2+]C2CCCCCC2)cc(OC)c1 ZINC000159647373 455392217 /nfs/dbraw/zinc/39/22/17/455392217.db2.gz MOIHKSNCURNUNA-UHFFFAOYSA-N 1 0 348.487 3.065 20 70 EGIDRO CCC[C@H]([NH3+])C(=O)NC[C@@H](C)Sc1ccc(Br)cc1 ZINC000159655764 455393322 /nfs/dbraw/zinc/39/33/22/455393322.db2.gz WYXGNJWOKVIKIA-MFKMUULPSA-N 1 0 345.306 3.173 20 70 EGIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159686313 455395369 /nfs/dbraw/zinc/39/53/69/455395369.db2.gz TWERRIFAALFJBB-VBNZEHGJSA-N 1 0 340.389 3.237 20 70 EGIDRO C[C@H](Cc1ccc(Cl)cc1)C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000159721610 455398571 /nfs/dbraw/zinc/39/85/71/455398571.db2.gz DMECDTRPPDLSJQ-QGPMSJSTSA-N 1 0 334.891 3.461 20 70 EGIDRO CC[N@H+](Cc1cnc2ccccn12)Cc1ccc(C(=O)N(C)C)cc1 ZINC000159717795 455398581 /nfs/dbraw/zinc/39/85/81/455398581.db2.gz NGDABODWFRNBGN-UHFFFAOYSA-N 1 0 336.439 3.058 20 70 EGIDRO C[C@H](Oc1cccc(Cl)c1Cl)C(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159734787 455399805 /nfs/dbraw/zinc/39/98/05/455399805.db2.gz OCZGLURFLOJVJU-SDDRHHMPSA-N 1 0 343.254 3.114 20 70 EGIDRO C[C@H]([NH2+]Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)C1(C)CC1 ZINC000159818825 455406669 /nfs/dbraw/zinc/40/66/69/455406669.db2.gz DPZPJIAFBGMRSX-HNNXBMFYSA-N 1 0 336.501 3.139 20 70 EGIDRO Cc1ccc(C(=O)CC[NH+]2CCC(N3CCCCC3=O)CC2)cc1 ZINC000160274289 455444078 /nfs/dbraw/zinc/44/40/78/455444078.db2.gz LGGVGJVOEPIMKM-UHFFFAOYSA-N 1 0 328.456 3.045 20 70 EGIDRO C[C@@H](c1nc2ccccc2s1)N(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000160413430 455456119 /nfs/dbraw/zinc/45/61/19/455456119.db2.gz HXBXJXQAGFPDML-QWHCGFSZSA-N 1 0 349.525 3.253 20 70 EGIDRO COCC[N@H+](Cc1cn(C)nc1-c1ccncc1)Cc1ccccc1 ZINC000160451447 455459799 /nfs/dbraw/zinc/45/97/99/455459799.db2.gz JZCHPHYADRGZOC-UHFFFAOYSA-N 1 0 336.439 3.131 20 70 EGIDRO O=C(NC[C@H]1CCC[N@H+](CCOCC2CC2)C1)Nc1cccc(F)c1 ZINC000160446266 455460541 /nfs/dbraw/zinc/46/05/41/455460541.db2.gz CUEDKUVUOPNKML-MRXNPFEDSA-N 1 0 349.450 3.086 20 70 EGIDRO COCCOc1cccc(NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160620789 455481222 /nfs/dbraw/zinc/48/12/22/455481222.db2.gz RAHZVQVSHPHZHV-UHFFFAOYSA-N 1 0 328.412 3.026 20 70 EGIDRO CC(C)[NH+]1CCC(NC(=O)N2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000160712385 455490842 /nfs/dbraw/zinc/49/08/42/455490842.db2.gz ZLRGCQGNMIIZTJ-LJQANCHMSA-N 1 0 344.503 3.145 20 70 EGIDRO Cc1ccc(CN(CCc2ccccc2)Cc2nncn2C)s1 ZINC000160717134 455490879 /nfs/dbraw/zinc/49/08/79/455490879.db2.gz AXXGJSBXBQGZPS-UHFFFAOYSA-N 1 0 326.469 3.430 20 70 EGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000160763416 455495705 /nfs/dbraw/zinc/49/57/05/455495705.db2.gz UULJJZODNIETGS-NLWGTHIKSA-N 1 0 345.531 3.134 20 70 EGIDRO CCC[NH+](CCC)CCCNC(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000160879626 455508508 /nfs/dbraw/zinc/50/85/08/455508508.db2.gz LQGJQCPYDCNMMF-UHFFFAOYSA-N 1 0 349.401 3.079 20 70 EGIDRO CCN(C(=O)NC[C@@H](C)SC)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160902604 455511626 /nfs/dbraw/zinc/51/16/26/455511626.db2.gz WKKVNCLSZNEDLX-WBVHZDCISA-N 1 0 335.517 3.044 20 70 EGIDRO CCc1nn(C)c(CC)c1CN(C)CC(=O)Nc1c(C)cccc1C ZINC000160936202 455515503 /nfs/dbraw/zinc/51/55/03/455515503.db2.gz GCVWWOXRVJQYKM-UHFFFAOYSA-N 1 0 342.487 3.232 20 70 EGIDRO CC[NH+]1CCN(CCC(=O)Nc2ccccc2SC(C)C)CC1 ZINC000160938289 455515897 /nfs/dbraw/zinc/51/58/97/455515897.db2.gz HXGCQZMXIJJBME-UHFFFAOYSA-N 1 0 335.517 3.153 20 70 EGIDRO CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H](C)c2cnc(C)nc2C)c1 ZINC000161076110 455530498 /nfs/dbraw/zinc/53/04/98/455530498.db2.gz IXMAMWHESLAIDA-UONOGXRCSA-N 1 0 340.471 3.473 20 70 EGIDRO CC(C)OCc1c2ccccc2oc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161167340 455543140 /nfs/dbraw/zinc/54/31/40/455543140.db2.gz CPRCWSCWOGKYSX-UONOGXRCSA-N 1 0 330.428 3.358 20 70 EGIDRO CC[C@H](NC(=O)NCCC[N@@H+]1CCCC[C@@H]1C)c1c(C)noc1C ZINC000161228463 455550792 /nfs/dbraw/zinc/55/07/92/455550792.db2.gz GWMZHMMKHDCIFN-BBRMVZONSA-N 1 0 336.480 3.306 20 70 EGIDRO Cc1nn(C)c(C)c1C[N@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000161241461 455551622 /nfs/dbraw/zinc/55/16/22/455551622.db2.gz ZAPTZDYGKBMLIW-UHFFFAOYSA-N 1 0 337.471 3.492 20 70 EGIDRO Cc1c(NC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)cnn1CCC(C)C ZINC000161268841 455553621 /nfs/dbraw/zinc/55/36/21/455553621.db2.gz NVDUFAAQAJMBPO-HOTGVXAUSA-N 1 0 349.523 3.480 20 70 EGIDRO CC[C@H](C)c1cc(C(=O)N[C@H](Cc2ccccc2)C[NH+](C)C)on1 ZINC000161278853 455555980 /nfs/dbraw/zinc/55/59/80/455555980.db2.gz GCRFDPZLSJRUGI-GOEBONIOSA-N 1 0 329.444 3.091 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(NC(=O)C3CCCCC3)c2)C1 ZINC000161323799 455559146 /nfs/dbraw/zinc/55/91/46/455559146.db2.gz ONAHLLIMFPAIOS-FUHWJXTLSA-N 1 0 343.471 3.205 20 70 EGIDRO CC(=O)NC1CCC([NH2+]C[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC000161384690 455565204 /nfs/dbraw/zinc/56/52/04/455565204.db2.gz UNIJPCNMIYPSST-XVAXZDLZSA-N 1 0 343.515 3.169 20 70 EGIDRO CSc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161406416 455567831 /nfs/dbraw/zinc/56/78/31/455567831.db2.gz MOISULHEVMVZJN-HNNXBMFYSA-N 1 0 328.485 3.326 20 70 EGIDRO CN1CCC([NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000161435036 455570811 /nfs/dbraw/zinc/57/08/11/455570811.db2.gz CFTGXIICSKBEEK-OAHLLOKOSA-N 1 0 327.241 3.259 20 70 EGIDRO C[C@@H](Cc1ccccc1Cl)C(=O)N[C@H]1CCN(c2ccccn2)C1 ZINC000161473192 455573164 /nfs/dbraw/zinc/57/31/64/455573164.db2.gz FJHPQJPYQOJELB-HOCLYGCPSA-N 1 0 343.858 3.309 20 70 EGIDRO CC1CC[NH+](C2CCC(NC(=O)CC[C@@H]3CCCCO3)CC2)CC1 ZINC000161491845 455574582 /nfs/dbraw/zinc/57/45/82/455574582.db2.gz QAGUYQOIWLGJCL-ACBHZAAOSA-N 1 0 336.520 3.495 20 70 EGIDRO COc1ccc(CNC(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)cc1Cl ZINC000161493473 455575307 /nfs/dbraw/zinc/57/53/07/455575307.db2.gz RMQNYWYDRCFISH-SJKOYZFVSA-N 1 0 332.831 3.301 20 70 EGIDRO Cc1[nH]c2ccccc2c1CCNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000216655212 456030435 /nfs/dbraw/zinc/03/04/35/456030435.db2.gz GWLZNPQUWPDFDE-UHFFFAOYSA-N 1 0 342.487 3.002 20 70 EGIDRO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000217143725 456030941 /nfs/dbraw/zinc/03/09/41/456030941.db2.gz GWUNRMATCRUJDH-MBNYWOFBSA-N 1 0 338.473 3.278 20 70 EGIDRO O=C(CCCOc1ccc(Cl)cc1Cl)NC1CC[NH2+]CC1 ZINC000218364276 456034740 /nfs/dbraw/zinc/03/47/40/456034740.db2.gz MTSLCZGTOJXWJQ-UHFFFAOYSA-N 1 0 331.243 3.021 20 70 EGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160550648 528034993 /nfs/dbraw/zinc/03/49/93/528034993.db2.gz NFWUYIMTACWYBP-KRWDZBQOSA-N 1 0 346.519 3.199 20 70 EGIDRO CC(C)c1ccccc1OCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000159452619 528201206 /nfs/dbraw/zinc/20/12/06/528201206.db2.gz CAQPDAWHAPFVDW-SJORKVTESA-N 1 0 330.472 3.274 20 70 EGIDRO CC(C)C[C@@H](CNC(=O)Cc1csc(-c2ccoc2)n1)[NH+](C)C ZINC000160044906 528319037 /nfs/dbraw/zinc/31/90/37/528319037.db2.gz VJVDRJXWSYXGRG-HNNXBMFYSA-N 1 0 335.473 3.038 20 70 EGIDRO CC[C@@H]([NH2+][C@@H]1CCCSC1)c1ccccc1OCC(=O)N(C)C ZINC000159614782 529203279 /nfs/dbraw/zinc/20/32/79/529203279.db2.gz RPILIKASDXKWRR-GDBMZVCRSA-N 1 0 336.501 3.090 20 70 EGIDRO CCn1nccc1C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000160012510 546942679 /nfs/dbraw/zinc/94/26/79/546942679.db2.gz SWNCKYKYQUAVSH-ZDUSSCGKSA-N 1 0 327.432 3.038 20 70 EGIDRO Cc1ccc(-c2[nH]nc(NC(=O)[C@@H](C)[NH+]3CCCCCC3)c2C)o1 ZINC000161450298 546956016 /nfs/dbraw/zinc/95/60/16/546956016.db2.gz UVOHIHBMWOVOFM-CQSZACIVSA-N 1 0 330.432 3.490 20 70 EGIDRO CC[N@H+](Cc1ccc2c(c1)OCO2)[C@@H](C)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000216720789 574770437 /nfs/dbraw/zinc/77/04/37/574770437.db2.gz CNDGYKIXPGSEGM-XHSDSOJGSA-N 1 0 346.471 3.130 20 70 EGIDRO CC[C@H]([NH2+][C@H]1CCCSC1)c1ccccc1OCC(=O)N(C)C ZINC000159614919 529670275 /nfs/dbraw/zinc/67/02/75/529670275.db2.gz RPILIKASDXKWRR-HOCLYGCPSA-N 1 0 336.501 3.090 20 70 EGIDRO COc1ccc(CCNC(=O)N2CCC(CCC[NH+](C)C)CC2)cc1 ZINC000159666625 533483253 /nfs/dbraw/zinc/48/32/53/533483253.db2.gz YPXURRQEZYURAP-UHFFFAOYSA-N 1 0 347.503 3.001 20 70 EGIDRO C[C@H](C[NH2+][C@H](C)c1cnn(C)c1)Oc1ccccc1Br ZINC000160380356 140959344 /nfs/dbraw/zinc/95/93/44/140959344.db2.gz OEMQCDFFJMFAON-VXGBXAGGSA-N 1 0 338.249 3.301 20 70 EGIDRO Cc1nn(-c2ccccc2)c(C)c1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000159843529 225288540 /nfs/dbraw/zinc/28/85/40/225288540.db2.gz OYLUBSWEJYGJMH-AUSJPIAWSA-N 1 0 326.488 3.307 20 70 EGIDRO COCC[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159582018 225242951 /nfs/dbraw/zinc/24/29/51/225242951.db2.gz UOVDXIDGLHHAFL-APWZRJJASA-N 1 0 326.440 3.251 20 70 EGIDRO [NH3+][C@@H]1CCN(C(=O)c2cccc(OCc3cccc(Cl)c3)c2)C1 ZINC000160189403 225357280 /nfs/dbraw/zinc/35/72/80/225357280.db2.gz YKLQOIQCKKXSMB-MRXNPFEDSA-N 1 0 330.815 3.092 20 70 EGIDRO [NH3+][C@@H]1CCN(C(=O)c2csc(-c3ccc(Cl)c(Cl)c3)n2)C1 ZINC000160188527 225357458 /nfs/dbraw/zinc/35/74/58/225357458.db2.gz AJVHZBMUQBXVFS-SECBINFHSA-N 1 0 342.251 3.290 20 70 EGIDRO CC(C)[NH2+]C1CCN([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000160499117 264875491 /nfs/dbraw/zinc/87/54/91/264875491.db2.gz PXWZUSCEJLIPNT-SFHVURJKSA-N 1 0 349.906 3.298 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCc3c1ccc(Cl)c3Cl)CC2 ZINC000160568904 274854345 /nfs/dbraw/zinc/85/43/45/274854345.db2.gz IUQROGIHAQAJJD-QMTHXVAHSA-N 1 0 337.254 3.485 20 70 EGIDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160777132 275196004 /nfs/dbraw/zinc/19/60/04/275196004.db2.gz STASHBZJUGDSPY-ROUUACIJSA-N 1 0 329.488 3.181 20 70 EGIDRO C[C@@H](OC1CCCCCC1)C(=O)NCc1ccc(C[NH+](C)C)cc1 ZINC000159712654 307878160 /nfs/dbraw/zinc/87/81/60/307878160.db2.gz WEZVCQWNEPHYHW-MRXNPFEDSA-N 1 0 332.488 3.492 20 70 EGIDRO Cc1nccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCc2ccccc2)cc1 ZINC000160076208 307884469 /nfs/dbraw/zinc/88/44/69/307884469.db2.gz RLGJWOPDOBJQFE-INIZCTEOSA-N 1 0 348.450 3.148 20 70 EGIDRO C[C@@]1(CNC(=O)NCc2cccc(C[NH+]3CCCC3)c2)CCCS1 ZINC000160131621 307885281 /nfs/dbraw/zinc/88/52/81/307885281.db2.gz PULXQPYFKKLEIP-IBGZPJMESA-N 1 0 347.528 3.367 20 70 EGIDRO CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000159505483 455381041 /nfs/dbraw/zinc/38/10/41/455381041.db2.gz JBWMJIKJVWISSH-JKSUJKDBSA-N 1 0 340.471 3.082 20 70 EGIDRO CC(C)[NH2+]CCC(=O)Nc1ccnn1Cc1ccc(Cl)c(F)c1 ZINC000159513353 455382182 /nfs/dbraw/zinc/38/21/82/455382182.db2.gz MARLKSLYIXJPKC-UHFFFAOYSA-N 1 0 338.814 3.051 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](c2ccccc2)C(F)(F)F)CC1 ZINC000159663303 455394095 /nfs/dbraw/zinc/39/40/95/455394095.db2.gz ZECYOJLIPXXBGT-CQSZACIVSA-N 1 0 329.366 3.027 20 70 EGIDRO CCNC(=O)C[NH2+]Cc1ccccc1Oc1ccc(F)cc1Cl ZINC000159783324 455404239 /nfs/dbraw/zinc/40/42/39/455404239.db2.gz WKKHMDYYPYISPL-UHFFFAOYSA-N 1 0 336.794 3.497 20 70 EGIDRO COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3nc(C)nn3C2)c2ccccc12 ZINC000160383764 455452890 /nfs/dbraw/zinc/45/28/90/455452890.db2.gz YHEKAVHWBZBMOB-UKRRQHHQSA-N 1 0 336.439 3.414 20 70 EGIDRO Cc1nc2n(n1)C[C@@H]([NH2+][C@@H](C)c1cc(C)ccc1OC(F)F)CC2 ZINC000160377526 455453149 /nfs/dbraw/zinc/45/31/49/455453149.db2.gz CCLKQBNQOPTHQL-AAEUAGOBSA-N 1 0 336.386 3.162 20 70 EGIDRO CCn1cc([C@@H](C)[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160759252 455496190 /nfs/dbraw/zinc/49/61/90/455496190.db2.gz YMVPGYLWYMCEND-QKLQHJQFSA-N 1 0 326.488 3.464 20 70 EGIDRO Cc1cc(OCc2ccccc2)ccc1NC(=O)[C@H]1CSCN1 ZINC000160844035 455504749 /nfs/dbraw/zinc/50/47/49/455504749.db2.gz XFEZJYRWUILAKU-QGZVFWFLSA-N 1 0 328.437 3.175 20 70 EGIDRO COc1cccc(NC(=O)CN2CCC[C@H]2c2cccc(C)n2)c1 ZINC000159953459 455418344 /nfs/dbraw/zinc/41/83/44/455418344.db2.gz RXKUSDHSCAMHBD-SFHVURJKSA-N 1 0 325.412 3.174 20 70 EGIDRO CCSCC[C@H](C)[NH2+][C@@H]1CCS(=O)(=O)c2ccc(F)cc21 ZINC000160017937 455421901 /nfs/dbraw/zinc/42/19/01/455421901.db2.gz LUIFLDLDYJVJKV-SMDDNHRTSA-N 1 0 331.478 3.166 20 70 EGIDRO OCC1(C[NH2+][C@H]2CCc3cc(Br)ccc3C2)CCCC1 ZINC000160069664 455426103 /nfs/dbraw/zinc/42/61/03/455426103.db2.gz DMJZHCNAKDKOFF-INIZCTEOSA-N 1 0 338.289 3.449 20 70 EGIDRO CCN(C(=O)N[C@@H](C)CSC)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160308635 455446606 /nfs/dbraw/zinc/44/66/06/455446606.db2.gz VUDXBABYZSODQY-DOTOQJQBSA-N 1 0 335.517 3.044 20 70 EGIDRO Cc1c([C@@H](C)[NH2+]C[C@H]2CCCC[C@@H]2O)nnn1-c1cccc(Cl)c1 ZINC000160451281 455459891 /nfs/dbraw/zinc/45/98/91/455459891.db2.gz KOWIOOWFRMGGDB-MRRJBJDNSA-N 1 0 348.878 3.431 20 70 EGIDRO C[C@@H](CNC(=O)c1cc(F)cc2cccnc21)[N@@H+]1CCC[C@@H](C)C1 ZINC000160459479 455461348 /nfs/dbraw/zinc/46/13/48/455461348.db2.gz WCXWUTNYRLQJFM-KGLIPLIRSA-N 1 0 329.419 3.224 20 70 EGIDRO CC[C@H]([NH2+]Cc1ccc(N2CCC(C)CC2)nc1)c1cnn(C)c1 ZINC000160467166 455462210 /nfs/dbraw/zinc/46/22/10/455462210.db2.gz LQVAQOJXXHVCQZ-SFHVURJKSA-N 1 0 327.476 3.292 20 70 EGIDRO CC[C@@H]1CCCC[N@@H+]1CCNC(=O)NCC1(CCOC)CCCC1 ZINC000160474146 455464006 /nfs/dbraw/zinc/46/40/06/455464006.db2.gz XWFLEMHOZXMLCS-QGZVFWFLSA-N 1 0 339.524 3.147 20 70 EGIDRO CN(CC[NH+]1CCCC1)C(=O)N[C@H]1CCC[C@H]1Cc1ccccc1 ZINC000160480512 455464572 /nfs/dbraw/zinc/46/45/72/455464572.db2.gz JIBZDMXKCIEXNQ-OALUTQOASA-N 1 0 329.488 3.135 20 70 EGIDRO CC1CCN(c2ccc(CN[C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)cn2)CC1 ZINC000160486100 455465789 /nfs/dbraw/zinc/46/57/89/455465789.db2.gz QOXNWQITPWYTFF-JENIJYKNSA-N 1 0 330.520 3.136 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)c1sc(NC(=O)C(C)(C)C)cc1C ZINC000160528718 455470143 /nfs/dbraw/zinc/47/01/43/455470143.db2.gz HMOUKPKBMAOZHJ-UHFFFAOYSA-N 1 0 339.505 3.288 20 70 EGIDRO C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NCc1ccc(N2CCCCCC2)nc1 ZINC000160533422 455470696 /nfs/dbraw/zinc/47/06/96/455470696.db2.gz PKBLRSNCNGMLOB-ZHALLVOQSA-N 1 0 330.520 3.280 20 70 EGIDRO CCCNC(=O)c1cccc(C[NH2+][C@H](COC)Cc2ccccc2)c1 ZINC000160602663 455478828 /nfs/dbraw/zinc/47/88/28/455478828.db2.gz LQMFYGLEPSSHLW-FQEVSTJZSA-N 1 0 340.467 3.174 20 70 EGIDRO Cc1ccc(CN(C(=O)N[C@@H]2CC[N@H+](CC3CC3)C2)C(C)C)s1 ZINC000160678570 455486808 /nfs/dbraw/zinc/48/68/08/455486808.db2.gz YUVZIQVLBCYYED-MRXNPFEDSA-N 1 0 335.517 3.461 20 70 EGIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccc(F)cc1F)C1CC1 ZINC000160677986 455486956 /nfs/dbraw/zinc/48/69/56/455486956.db2.gz FMONYBLLZWOVMC-MRXNPFEDSA-N 1 0 349.425 3.123 20 70 EGIDRO CC[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000160715563 455491305 /nfs/dbraw/zinc/49/13/05/455491305.db2.gz YNJHYJAIPULZOI-CRAIPNDOSA-N 1 0 326.431 3.242 20 70 EGIDRO CC1(C)CC(NC(=O)NC2(c3cccc(F)c3)CC2)CC(C)(C)[NH2+]1 ZINC000160850946 455505533 /nfs/dbraw/zinc/50/55/33/455505533.db2.gz XITIXMACMDMEPQ-UHFFFAOYSA-N 1 0 333.451 3.423 20 70 EGIDRO CCCCNc1ccccc1C(=O)N1CCN(c2ccccn2)CC1 ZINC000160942075 455515886 /nfs/dbraw/zinc/51/58/86/455515886.db2.gz GEOZTUZERFFEET-UHFFFAOYSA-N 1 0 338.455 3.256 20 70 EGIDRO CCCn1c(C)nnc1CN1Cc2ccccc2N(C)C[C@@H]1CC ZINC000160943026 455515981 /nfs/dbraw/zinc/51/59/81/455515981.db2.gz XORHQBCRPWCJDF-KRWDZBQOSA-N 1 0 327.476 3.227 20 70 EGIDRO CC1CC[NH+](C2CCC(NS(=O)(=O)CCC(C)(C)C)CC2)CC1 ZINC000160947982 455516652 /nfs/dbraw/zinc/51/66/52/455516652.db2.gz SZQFBLUDFWCXJG-UHFFFAOYSA-N 1 0 344.565 3.385 20 70 EGIDRO CCN(C[C@@H]1CC[N@H+](Cc2cnc3ccccn23)C1)CC(F)(F)F ZINC000160945635 455516978 /nfs/dbraw/zinc/51/69/78/455516978.db2.gz WIZLRLURSOZMQB-AWEZNQCLSA-N 1 0 340.393 3.040 20 70 EGIDRO COc1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)ccc1OCCC(C)C ZINC000160958408 455518580 /nfs/dbraw/zinc/51/85/80/455518580.db2.gz LOGMZSWFOIZGCG-CVEARBPZSA-N 1 0 334.460 3.120 20 70 EGIDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1Cc1nc2cc(Br)ccc2[nH]1 ZINC000160998196 455522577 /nfs/dbraw/zinc/52/25/77/455522577.db2.gz IWDMUYKJJYNHEU-JQWIXIFHSA-N 1 0 338.249 3.061 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)c2csc(-c3ccc(Cl)cc3)n2)C1 ZINC000161009699 455523244 /nfs/dbraw/zinc/52/32/44/455523244.db2.gz IJESLZHWSWYQFG-OLZOCXBDSA-N 1 0 335.860 3.463 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000161083103 455530466 /nfs/dbraw/zinc/53/04/66/455530466.db2.gz NAUKKYNUEQMMCO-RCJHGTSTSA-N 1 0 331.504 3.033 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CCCOc2cccc3ccccc32)C1 ZINC000161097756 455532963 /nfs/dbraw/zinc/53/29/63/455532963.db2.gz UIRIFPJNKVDPSR-DLBZAZTESA-N 1 0 326.440 3.385 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)c2ccc(Cl)cc2Br)C1 ZINC000161113394 455535378 /nfs/dbraw/zinc/53/53/78/455535378.db2.gz RAEVNUVGUGIIDY-NXEZZACHSA-N 1 0 331.641 3.102 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)NCc1ccc(COCC(F)(F)F)cc1 ZINC000161170200 455543158 /nfs/dbraw/zinc/54/31/58/455543158.db2.gz ZUXUKAOJRYSZES-UHFFFAOYSA-N 1 0 346.393 3.147 20 70 EGIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@H](C)C2(C)CC2)CC1 ZINC000161172206 455543836 /nfs/dbraw/zinc/54/38/36/455543836.db2.gz OORRFKLKVCKDMU-HZPDHXFCSA-N 1 0 344.503 3.437 20 70 EGIDRO Cc1noc(C)c1[C@H](C)CC(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000161201665 455547316 /nfs/dbraw/zinc/54/73/16/455547316.db2.gz AMROCIFIYXQMQO-PBHICJAKSA-N 1 0 335.492 3.412 20 70 EGIDRO [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NCCc1nc(C(F)(F)F)cs1 ZINC000161204072 455547765 /nfs/dbraw/zinc/54/77/65/455547765.db2.gz IOGBGXCDXPLGJK-GHMZBOCLSA-N 1 0 349.422 3.118 20 70 EGIDRO Cc1ccc([C@@H]([NH2+]CCCCS(C)(=O)=O)c2ccccc2)cc1 ZINC000161208038 455548507 /nfs/dbraw/zinc/54/85/07/455548507.db2.gz IQKRSQSDUCRYCJ-IBGZPJMESA-N 1 0 331.481 3.499 20 70 EGIDRO CCc1noc(CN(C)CCCc2cc(-c3ccc(F)cc3)n[nH]2)n1 ZINC000161227633 455550755 /nfs/dbraw/zinc/55/07/55/455550755.db2.gz YZNSCXFHYDTACY-UHFFFAOYSA-N 1 0 343.406 3.226 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccnc1Oc1cccc(F)c1 ZINC000161267592 455553643 /nfs/dbraw/zinc/55/36/43/455553643.db2.gz ZWLYUYGFQRUVPE-UHFFFAOYSA-N 1 0 345.418 3.394 20 70 EGIDRO COc1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)ccc1OC1CCCC1 ZINC000161303588 455556975 /nfs/dbraw/zinc/55/69/75/455556975.db2.gz FYFAHCVWUIVAMF-LSDHHAIUSA-N 1 0 332.444 3.016 20 70 EGIDRO O=C(N[C@H](COCc1ccccc1)c1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000161306081 455557393 /nfs/dbraw/zinc/55/73/93/455557393.db2.gz FIENZKYEYVDMOU-VQTJNVASSA-N 1 0 338.451 3.060 20 70 EGIDRO CCC[C@H]1CN(CCC(=O)c2ccc(C)cc2)CC[N@@H+]1CCOC ZINC000161326928 455559321 /nfs/dbraw/zinc/55/93/21/455559321.db2.gz BSWWVJPSHYQPDC-IBGZPJMESA-N 1 0 332.488 3.001 20 70 EGIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000161453746 455572108 /nfs/dbraw/zinc/57/21/08/455572108.db2.gz OISOVVIZPMWNGT-LRDDRELGSA-N 1 0 328.378 3.142 20 70 EGIDRO CC[C@H]([NH3+])C(=O)N[C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000161478231 455573575 /nfs/dbraw/zinc/57/35/75/455573575.db2.gz YKTOXVRZPGLYIJ-DLBZAZTESA-N 1 0 332.831 3.292 20 70 EGIDRO Fc1cccc(N2CCC[C@@H]([NH2+]C3CCC4(CC3)OCCO4)C2)c1 ZINC000161484852 455574664 /nfs/dbraw/zinc/57/46/64/455574664.db2.gz DCXPVQXSNHCARN-QGZVFWFLSA-N 1 0 334.435 3.070 20 70 EGIDRO COC(=O)c1ccc2[nH]cc(C(=O)C[N@H+](C)[C@H](C)C3(C)CC3)c2c1 ZINC000161495385 455575688 /nfs/dbraw/zinc/57/56/88/455575688.db2.gz KZLUSLFXBJBTMG-GFCCVEGCSA-N 1 0 328.412 3.258 20 70 EGIDRO COc1ccc2c(c1)CCCN2C(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000217144100 456031674 /nfs/dbraw/zinc/03/16/74/456031674.db2.gz XBTYHBAPYOIULI-RLFYNMQTSA-N 1 0 330.472 3.389 20 70 EGIDRO CCC[NH+]1CCC(N(C)C(=O)c2ccc3nc(C)ccc3c2)CC1 ZINC000159592603 528192776 /nfs/dbraw/zinc/19/27/76/528192776.db2.gz QSSKYXMPBKNLQA-UHFFFAOYSA-N 1 0 325.456 3.490 20 70 EGIDRO CCNC(=O)c1cccc(C[NH2+][C@H](C)c2ccc(F)cc2N(C)C)c1 ZINC000160194452 528270218 /nfs/dbraw/zinc/27/02/18/528270218.db2.gz PCMLWLZLIMDPBT-CQSZACIVSA-N 1 0 343.446 3.492 20 70 EGIDRO CCOc1ccccc1C[NH2+][C@@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000160115278 528732977 /nfs/dbraw/zinc/73/29/77/528732977.db2.gz OLOHRLWINLVBHF-AWEZNQCLSA-N 1 0 333.453 3.340 20 70 EGIDRO CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCOCc2ccccc2)cc1 ZINC000159769674 546941551 /nfs/dbraw/zinc/94/15/51/546941551.db2.gz YPOOAJSVSNKKHT-INIZCTEOSA-N 1 0 347.480 3.348 20 70 EGIDRO COc1cccc([C@H](CNC(=O)C2=C(C)OCCC2)[NH+]2CCCC2)c1 ZINC000159464888 225224217 /nfs/dbraw/zinc/22/42/17/225224217.db2.gz XGZMYUYLPAMLBZ-IBGZPJMESA-N 1 0 344.455 3.033 20 70 EGIDRO C[NH+](C)CCn1ccc2ccc(NC(=O)CCCn3cccc3)cc21 ZINC000159629065 225251505 /nfs/dbraw/zinc/25/15/05/225251505.db2.gz LEEIFOYKQUDXPN-UHFFFAOYSA-N 1 0 338.455 3.423 20 70 EGIDRO [NH3+][C@@H]1CCN(C(=O)[C@@H](Sc2ccc(F)cc2)c2ccccc2)C1 ZINC000160234009 225366989 /nfs/dbraw/zinc/36/69/89/225366989.db2.gz VCILPCCOUFGXPN-WBVHZDCISA-N 1 0 330.428 3.219 20 70 EGIDRO COCC[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159582233 292625787 /nfs/dbraw/zinc/62/57/87/292625787.db2.gz UOVDXIDGLHHAFL-VQIMIIECSA-N 1 0 326.440 3.251 20 70 EGIDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)NCC2(Cc3ccccc3)CC2)C1 ZINC000160777390 275195982 /nfs/dbraw/zinc/19/59/82/275195982.db2.gz STASHBZJUGDSPY-MSOLQXFVSA-N 1 0 329.488 3.181 20 70 EGIDRO C[C@@H](Cc1ccc(C(F)(F)F)cc1)NC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000161453475 278297302 /nfs/dbraw/zinc/29/73/02/278297302.db2.gz OISOVVIZPMWNGT-BLLLJJGKSA-N 1 0 328.378 3.142 20 70 EGIDRO CC(C)C[C@H](C)NC(=O)NC1CC[NH+]([C@H](C)c2ccncc2)CC1 ZINC000160898973 279108523 /nfs/dbraw/zinc/10/85/23/279108523.db2.gz CDZIFHIGUSSHLK-JKSUJKDBSA-N 1 0 332.492 3.341 20 70 EGIDRO CC(C)(C)[NH2+]CCNC(=O)c1ccc(Br)c(Cl)c1 ZINC000159807225 307880073 /nfs/dbraw/zinc/88/00/73/307880073.db2.gz MXAZGGGFRBIDRI-UHFFFAOYSA-N 1 0 333.657 3.220 20 70 EGIDRO COc1ccc(-c2nc(SCC[NH+]3CCC(C)CC3)n[nH]2)cc1 ZINC000159608367 455389449 /nfs/dbraw/zinc/38/94/49/455389449.db2.gz XPXKPHVVSMCUKH-UHFFFAOYSA-N 1 0 332.473 3.304 20 70 EGIDRO CCc1c(C(=O)NCCC[N@@H+]2CCCC[C@H]2C)cnn1CC(C)C ZINC000159712083 455397588 /nfs/dbraw/zinc/39/75/88/455397588.db2.gz HXWVMUWNMZZHPZ-MRXNPFEDSA-N 1 0 334.508 3.096 20 70 EGIDRO CCCCn1ncc(NC(=O)NCCC[NH+]2CCCCCC2)c1C ZINC000159747022 455400559 /nfs/dbraw/zinc/40/05/59/455400559.db2.gz URLPABUEBCWUJU-UHFFFAOYSA-N 1 0 335.496 3.379 20 70 EGIDRO CO[C@]1(C[NH2+][C@H](C)c2ccc(Br)cc2F)CCOC1 ZINC000160100037 455428361 /nfs/dbraw/zinc/42/83/61/455428361.db2.gz NDOURGIMXJTTGG-YGRLFVJLSA-N 1 0 332.213 3.044 20 70 EGIDRO Cc1ccc(-c2nnc([C@@H](C)N3CC[NH+](C(C)C)CC3)o2)cc1C ZINC000160771636 455496882 /nfs/dbraw/zinc/49/68/82/455496882.db2.gz YGISFRMDYRQQNM-MRXNPFEDSA-N 1 0 328.460 3.440 20 70 EGIDRO O=C(C[N@@H+]1CC[C@@H]2CCCC[C@@H]21)Nc1cccc(N2CCCC2=O)c1 ZINC000159599849 455388553 /nfs/dbraw/zinc/38/85/53/455388553.db2.gz GOGOJGGKAFZTNA-YJBOKZPZSA-N 1 0 341.455 3.016 20 70 EGIDRO [NH3+]C1CCN(C(=O)c2ccc3cc(Br)ccc3c2)CC1 ZINC000159640351 455391417 /nfs/dbraw/zinc/39/14/17/455391417.db2.gz HZLNQFSJVMQPPG-UHFFFAOYSA-N 1 0 333.229 3.166 20 70 EGIDRO Cc1ccc(C(=O)CC[N@@H+](C)C[C@H](O)COCc2ccccc2)cc1 ZINC000159639073 455391666 /nfs/dbraw/zinc/39/16/66/455391666.db2.gz RVUDLLNNBRXSCL-FQEVSTJZSA-N 1 0 341.451 3.077 20 70 EGIDRO C[C@@]1(C(=O)N2CCC([NH2+]CC3CC3)CC2)CCCc2ccccc21 ZINC000159744169 455399258 /nfs/dbraw/zinc/39/92/58/455399258.db2.gz DXDPGXIVBSKLPJ-OAQYLSRUSA-N 1 0 326.484 3.271 20 70 EGIDRO [NH3+]C1(CNC(=O)CCCc2nc3ccccc3s2)CCCCC1 ZINC000159735621 455399392 /nfs/dbraw/zinc/39/93/92/455399392.db2.gz SQQSISSIZQJSQJ-UHFFFAOYSA-N 1 0 331.485 3.397 20 70 EGIDRO O=C([C@H]1C[C@@]12CCCc1ccccc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000159824638 455407382 /nfs/dbraw/zinc/40/73/82/455407382.db2.gz WTPABXCIIQFRQJ-IFMALSPDSA-N 1 0 338.495 3.271 20 70 EGIDRO C[N@H+](CCn1ccnc1)CC1(c2ccc(Br)cc2)CC1 ZINC000159845953 455409564 /nfs/dbraw/zinc/40/95/64/455409564.db2.gz RHBSXMQUEBUWAV-UHFFFAOYSA-N 1 0 334.261 3.309 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)N(CC[NH+](C)C)C2CCCC2)n1 ZINC000159955130 455418204 /nfs/dbraw/zinc/41/82/04/455418204.db2.gz FTARIHIQOAJTOX-UHFFFAOYSA-N 1 0 335.496 3.267 20 70 EGIDRO COCCC1(CNC(=O)NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)CCCC1 ZINC000160201560 455437838 /nfs/dbraw/zinc/43/78/38/455437838.db2.gz XEMBSSVXJPCVBW-IRXDYDNUSA-N 1 0 339.524 3.003 20 70 EGIDRO C[C@@H](CNC(=O)Cc1c[nH]c2cc(F)ccc12)[N@@H+]1CCC[C@H](C)C1 ZINC000160232099 455440680 /nfs/dbraw/zinc/44/06/80/455440680.db2.gz ZBVWRIDIWJQSFN-KBPBESRZSA-N 1 0 331.435 3.086 20 70 EGIDRO C[C@@H]1C[C@H](NC(=O)N2C[C@@H]3CCC[C@@H]3C2)C[N@@H+]1Cc1ccccc1 ZINC000160284244 455445578 /nfs/dbraw/zinc/44/55/78/455445578.db2.gz WSFRRPOHAOHKJD-YSHGAJCASA-N 1 0 327.472 3.091 20 70 EGIDRO NC(=O)[C@H]1CCCN1Cc1ccc(-c2cccc(Br)c2)o1 ZINC000160308583 455445957 /nfs/dbraw/zinc/44/59/57/455445957.db2.gz IWLFZTQUAOUZIR-CQSZACIVSA-N 1 0 349.228 3.159 20 70 EGIDRO COC[C@@H]([NH2+]C[C@@H](C)Oc1ccccc1Br)C1CC1 ZINC000160405257 455455124 /nfs/dbraw/zinc/45/51/24/455455124.db2.gz LHHFQYKIVMJEJB-BXUZGUMPSA-N 1 0 328.250 3.231 20 70 EGIDRO CCC([NH3+])(CC)CNC(=O)[C@H]1C[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000160480313 455464882 /nfs/dbraw/zinc/46/48/82/455464882.db2.gz NHRGIEAWQGMYFO-KGLIPLIRSA-N 1 0 328.378 3.443 20 70 EGIDRO CC[C@H](C)[N@H+](C)CCNC(=O)c1nn(-c2ccccc2Cl)cc1C ZINC000160500657 455466388 /nfs/dbraw/zinc/46/63/88/455466388.db2.gz SBEQQZLDALBFLH-AWEZNQCLSA-N 1 0 348.878 3.294 20 70 EGIDRO CCN(C(=O)N[C@@H]1CCCSC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160582725 455477333 /nfs/dbraw/zinc/47/73/33/455477333.db2.gz CQVFXONRRLEGHY-QZTJIDSGSA-N 1 0 347.528 3.188 20 70 EGIDRO CC(C)CCOc1ccc([C@H](C)[NH2+]CC(=O)NCC(F)(F)F)cc1 ZINC000160617976 455481001 /nfs/dbraw/zinc/48/10/01/455481001.db2.gz FSUUGVWZUOKHMD-ZDUSSCGKSA-N 1 0 346.393 3.441 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2sc(-c3ccc(C)cc3C)nc2C)C1 ZINC000160623105 455481280 /nfs/dbraw/zinc/48/12/80/455481280.db2.gz OZAIXPVDQRFUJD-AWEZNQCLSA-N 1 0 329.469 3.169 20 70 EGIDRO CCN(C(=O)NC[C@@H]1CCCS1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000160692055 455489015 /nfs/dbraw/zinc/48/90/15/455489015.db2.gz IOQNISIFGKJSHC-ROUUACIJSA-N 1 0 347.528 3.188 20 70 EGIDRO C[NH+]1CCC(C(=O)NCCCOc2ccc3ccccc3c2)CC1 ZINC000160726421 455491715 /nfs/dbraw/zinc/49/17/15/455491715.db2.gz MPAMZEZMVOQVHW-UHFFFAOYSA-N 1 0 326.440 3.067 20 70 EGIDRO CC[NH+](CC)CCCNC(=O)N[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000160872875 455507181 /nfs/dbraw/zinc/50/71/81/455507181.db2.gz XQJIQJVEBDJEBR-HNNXBMFYSA-N 1 0 344.459 3.434 20 70 EGIDRO C[NH+](C)C1(CNC(=O)c2cccc(F)c2Br)CCCC1 ZINC000160897563 455511259 /nfs/dbraw/zinc/51/12/59/455511259.db2.gz BZYHNHIFYNKTPD-UHFFFAOYSA-N 1 0 343.240 3.192 20 70 EGIDRO O=C(CCc1ccc(F)cc1F)NC1CC[NH+](C2CCCC2)CC1 ZINC000160958648 455518832 /nfs/dbraw/zinc/51/88/32/455518832.db2.gz IENCRTMZIBUXFM-UHFFFAOYSA-N 1 0 336.426 3.421 20 70 EGIDRO CCCC[C@H](COC)[NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC000161006455 455523234 /nfs/dbraw/zinc/52/32/34/455523234.db2.gz FHZIVXGHTSEPPA-LJQANCHMSA-N 1 0 332.488 3.394 20 70 EGIDRO CC1(C)C[C@H]1C(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000161005606 455523403 /nfs/dbraw/zinc/52/34/03/455523403.db2.gz GEJHPQHPNISGDZ-SFHVURJKSA-N 1 0 327.472 3.203 20 70 EGIDRO CCCNC(=O)C1([NH2+]Cc2ccc(OC)c(OC)c2)CCCCC1 ZINC000161041089 455526826 /nfs/dbraw/zinc/52/68/26/455526826.db2.gz QMKHYSUJIAXLAF-UHFFFAOYSA-N 1 0 334.460 3.023 20 70 EGIDRO CCCOc1ccc(C(=O)N2CCC(C[NH2+]CC)CC2)cc1OCC ZINC000161098620 455533005 /nfs/dbraw/zinc/53/30/05/455533005.db2.gz NASARTPCRZFFCI-UHFFFAOYSA-N 1 0 348.487 3.336 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)/C=C/c2cccc(OC(C)C)c2)CC1 ZINC000161113047 455534722 /nfs/dbraw/zinc/53/47/22/455534722.db2.gz RKIMENZIZAJNJO-CMDGGOBGSA-N 1 0 330.472 3.335 20 70 EGIDRO CCN1CCCC[C@@H]1C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000161167800 455542832 /nfs/dbraw/zinc/54/28/32/455542832.db2.gz CWEMAOFXFRNFED-HNAYVOBHSA-N 1 0 344.503 3.496 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2[C@H](C)CC[C@@H]2C)CC1 ZINC000161173521 455544098 /nfs/dbraw/zinc/54/40/98/455544098.db2.gz IXUXLAWWCSHXRU-XHSDSOJGSA-N 1 0 330.476 3.189 20 70 EGIDRO CC1(O)CC[NH+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC1 ZINC000161200651 455547279 /nfs/dbraw/zinc/54/72/79/455547279.db2.gz FHFJPFQVFOFODM-UHFFFAOYSA-N 1 0 331.243 3.169 20 70 EGIDRO CC(C)(C)c1nn(-c2ccccc2)cc1C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000161232414 455550686 /nfs/dbraw/zinc/55/06/86/455550686.db2.gz GSOPOUOGPKKLBO-LSDHHAIUSA-N 1 0 340.471 3.170 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cccc(COc3cccc(F)c3)c2)C1 ZINC000161268235 455554119 /nfs/dbraw/zinc/55/41/19/455554119.db2.gz XPGSUTHQZSEQOG-ZWKOTPCHSA-N 1 0 342.414 3.404 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCc2ccc(OC(F)(F)F)cc2)CC1 ZINC000161306965 455557737 /nfs/dbraw/zinc/55/77/37/455557737.db2.gz PEZZKTWIEJHQDC-UHFFFAOYSA-N 1 0 344.377 3.165 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)c2cc(-c3ccc(Cl)s3)on2)C1 ZINC000161311047 455558488 /nfs/dbraw/zinc/55/84/88/455558488.db2.gz YUEJQAMLZGXOLA-DTWKUNHWSA-N 1 0 325.821 3.056 20 70 EGIDRO C[C@@H](NC(C)(C)C[NH2+]C1CCC2(CC1)OCCO2)c1ccccc1 ZINC000161491027 455574905 /nfs/dbraw/zinc/57/49/05/455574905.db2.gz VMNDAQGQSNBNRH-MRXNPFEDSA-N 1 0 332.488 3.391 20 70 EGIDRO CCOCCC1(C(=O)N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CCC1 ZINC000161507849 455576572 /nfs/dbraw/zinc/57/65/72/455576572.db2.gz JERGIDIDZHFYHZ-IBGZPJMESA-N 1 0 344.499 3.364 20 70 EGIDRO COC(=O)c1oc(CN2CC[NH+](C3CCC(C)CC3)CC2)cc1C ZINC000217213926 456032278 /nfs/dbraw/zinc/03/22/78/456032278.db2.gz JIFXGZDYHXEZQV-UHFFFAOYSA-N 1 0 334.460 3.071 20 70 EGIDRO O=C(CSc1ccc(Cl)cc1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159817395 534670382 /nfs/dbraw/zinc/67/03/82/534670382.db2.gz YNFQTYQYDMHQMF-UHFFFAOYSA-N 1 0 338.904 3.423 20 70 EGIDRO O=C(c1ccc(Cl)c2cccnc12)N1CCC([NH2+]CC2CC2)CC1 ZINC000159834389 534703102 /nfs/dbraw/zinc/70/31/02/534703102.db2.gz TVVRODDTJPTIEE-UHFFFAOYSA-N 1 0 343.858 3.492 20 70 EGIDRO CC(C)(C)C(=O)N1CCC(C[N@H+](CCCO)Cc2ccccc2)CC1 ZINC000160300950 527568520 /nfs/dbraw/zinc/56/85/20/527568520.db2.gz PFMNJJWBLABANZ-UHFFFAOYSA-N 1 0 346.515 3.156 20 70 EGIDRO CC[NH+](CC)[C@H](C(=O)Nc1ccc(OC)c(N)c1)c1ccccc1 ZINC000161129918 528262460 /nfs/dbraw/zinc/26/24/60/528262460.db2.gz RWGXVWCKZIVEMW-SFHVURJKSA-N 1 0 327.428 3.299 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N1CCC(OCCc2ccccc2)CC1 ZINC000161188617 528649080 /nfs/dbraw/zinc/64/90/80/528649080.db2.gz IZQQYCCWYLEKJU-UHFFFAOYSA-N 1 0 332.488 3.002 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(Oc2nccc(C)n2)cc1 ZINC000161251344 528651902 /nfs/dbraw/zinc/65/19/02/528651902.db2.gz COLFICMMWAPURB-UHFFFAOYSA-N 1 0 328.416 3.281 20 70 EGIDRO CC[C@H](CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(OC)cc1 ZINC000160141511 529304773 /nfs/dbraw/zinc/30/47/73/529304773.db2.gz AAAVVGVZVPVZNA-JKSUJKDBSA-N 1 0 330.472 3.179 20 70 EGIDRO Cc1cc(C(=O)N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)oc1C ZINC000159488800 546938167 /nfs/dbraw/zinc/93/81/67/546938167.db2.gz VSBATBDMWAEVDQ-UHFFFAOYSA-N 1 0 336.382 3.379 20 70 EGIDRO c1csc(-c2cc(CN3CCN(c4cc[nH+]cc4)CC3)no2)c1 ZINC000161356809 546954278 /nfs/dbraw/zinc/95/42/78/546954278.db2.gz SUHRNEGBAHSAME-UHFFFAOYSA-N 1 0 326.425 3.120 20 70 EGIDRO CCc1nn(C)c(CC)c1C[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000159580404 529766437 /nfs/dbraw/zinc/76/64/37/529766437.db2.gz LTRLXRFFWFUCAB-LJQANCHMSA-N 1 0 344.503 3.455 20 70 EGIDRO COc1ccc(C(C)(C)C[NH2+]C2CCC3(CC2)OCCO3)cc1OC ZINC000161427388 533364297 /nfs/dbraw/zinc/36/42/97/533364297.db2.gz PNTJCLLLBVEJEY-UHFFFAOYSA-N 1 0 349.471 3.257 20 70 EGIDRO CC[C@@H](C)[N@H+](C)CCNC(=O)CSc1nccc2ccccc21 ZINC000161390832 140972138 /nfs/dbraw/zinc/97/21/38/140972138.db2.gz SHYQNUYBUSVFKK-CQSZACIVSA-N 1 0 331.485 3.173 20 70 EGIDRO O=C(c1ccccc1Cl)N1CCC([NH2+][C@H]2CCCSC2)CC1 ZINC000159519796 225233253 /nfs/dbraw/zinc/23/32/53/225233253.db2.gz WTEVLELTXCYWSW-AWEZNQCLSA-N 1 0 338.904 3.430 20 70 EGIDRO O=C([C@H]1C[C@@H]1c1c(F)cccc1F)N1CCC([NH2+]CC2CC2)CC1 ZINC000159789422 225278606 /nfs/dbraw/zinc/27/86/06/225278606.db2.gz NSQOFJNYGUXUFL-GJZGRUSLSA-N 1 0 334.410 3.059 20 70 EGIDRO Cc1ccc(-c2noc([C@@H](C)[N@H+](C)C[C@@H]3CCC[C@@H]3O)n2)cc1F ZINC000159617847 225249992 /nfs/dbraw/zinc/24/99/92/225249992.db2.gz INTGKRUDCKUWQX-INWMFGNUSA-N 1 0 333.407 3.338 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@H](C)c1cc(C)ccc1OC(F)F)CC2 ZINC000160377192 225398869 /nfs/dbraw/zinc/39/88/69/225398869.db2.gz CCLKQBNQOPTHQL-DGCLKSJQSA-N 1 0 336.386 3.162 20 70 EGIDRO C[C@H](C[NH2+][C@@H](C)c1cnccn1)Oc1ccccc1Br ZINC000160379361 225399009 /nfs/dbraw/zinc/39/90/09/225399009.db2.gz COSYTVZMSNDYLO-NEPJUHHUSA-N 1 0 336.233 3.357 20 70 EGIDRO [NH3+]C[C@H]1CCCN1C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000160180802 225355474 /nfs/dbraw/zinc/35/54/74/225355474.db2.gz MVBSFMBALNGJLG-CQSZACIVSA-N 1 0 332.350 3.320 20 70 EGIDRO Cc1csc(C(C)(C)NC(=O)N[C@H]2CC[N@@H+](C3CCCC3)C2)n1 ZINC000160911387 293027053 /nfs/dbraw/zinc/02/70/53/293027053.db2.gz QFKLWJKCDSDGQX-ZDUSSCGKSA-N 1 0 336.505 3.003 20 70 EGIDRO COc1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cc1OC(F)F ZINC000159536920 307875524 /nfs/dbraw/zinc/87/55/24/307875524.db2.gz NBZVFJRQVCVOBU-MAZHCROVSA-N 1 0 339.382 3.344 20 70 EGIDRO CCCCn1ncc(NC(=O)N[C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)c1C ZINC000159610426 307876720 /nfs/dbraw/zinc/87/67/20/307876720.db2.gz HKEMKIGRNJBCQS-HRCADAONSA-N 1 0 349.523 3.480 20 70 EGIDRO CCCC(=O)Nc1cccc(C[NH2+][C@H](C)CC(=O)N(CC)CC)c1 ZINC000159926528 307882186 /nfs/dbraw/zinc/88/21/86/307882186.db2.gz YFYGOWCPOGGOJS-OAHLLOKOSA-N 1 0 333.476 3.162 20 70 EGIDRO CC(C)c1ccc(CC2CC[NH+](CCN3C(=O)CCC3=O)CC2)cc1 ZINC000159948936 307882677 /nfs/dbraw/zinc/88/26/77/307882677.db2.gz DNDOOEXIMWYIKP-UHFFFAOYSA-N 1 0 342.483 3.214 20 70 EGIDRO CN(CCCOc1ccc(F)cc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000160152975 307885677 /nfs/dbraw/zinc/88/56/77/307885677.db2.gz MZIKAFUCACJFLF-UHFFFAOYSA-N 1 0 344.430 3.428 20 70 EGIDRO Cc1nc(COc2ccc(C[NH2+][C@H]3CCOC(C)(C)C3)cc2)no1 ZINC000160435280 307889730 /nfs/dbraw/zinc/88/97/30/307889730.db2.gz KFOAJOKOELGIIU-HNNXBMFYSA-N 1 0 331.416 3.004 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000160912813 307896047 /nfs/dbraw/zinc/89/60/47/307896047.db2.gz WPHWEMWQUKDQFW-GOSISDBHSA-N 1 0 332.394 3.363 20 70 EGIDRO C[C@@H](C(=O)N(C)CC[NH+]1CCCC1)c1ccc(Br)cc1 ZINC000161365415 307901851 /nfs/dbraw/zinc/90/18/51/307901851.db2.gz BGWGXERIUCFGIN-CYBMUJFWSA-N 1 0 339.277 3.107 20 70 EGIDRO O=C(N[C@@H]1CCC[NH2+]C1)c1ccc2cc(Br)ccc2c1 ZINC000159647668 455392826 /nfs/dbraw/zinc/39/28/26/455392826.db2.gz DUHKFZWCTDCUJT-OAHLLOKOSA-N 1 0 333.229 3.084 20 70 EGIDRO CCOC(=O)COc1ccc(C[N@H+](C)Cc2ccc(OC)cc2)cc1 ZINC000159866189 455411111 /nfs/dbraw/zinc/41/11/11/455411111.db2.gz OIULWYAYGVFDMR-UHFFFAOYSA-N 1 0 343.423 3.269 20 70 EGIDRO CC(C)[N@H+](CCc1nccs1)CC(=O)N[C@@H](C)c1ccccc1 ZINC000159786270 455403437 /nfs/dbraw/zinc/40/34/37/455403437.db2.gz ULDDFOXUHDNRLG-HNNXBMFYSA-N 1 0 331.485 3.273 20 70 EGIDRO C[C@H]1C[NH+](CCCCNc2nc(C(C)(C)C)ns2)C[C@H](C)O1 ZINC000159915425 455415977 /nfs/dbraw/zinc/41/59/77/455415977.db2.gz NECOQNYSJMQMBY-STQMWFEESA-N 1 0 326.510 3.137 20 70 EGIDRO CC[C@H]([NH2+]CCC1CCN(CC(F)(F)F)CC1)c1cnn(C)c1 ZINC000159959779 455418615 /nfs/dbraw/zinc/41/86/15/455418615.db2.gz IIICTZDJZTZKEM-HNNXBMFYSA-N 1 0 332.414 3.125 20 70 EGIDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000160179683 455434942 /nfs/dbraw/zinc/43/49/42/455434942.db2.gz WTDJQASABHUTDK-ZDUSSCGKSA-N 1 0 330.394 3.340 20 70 EGIDRO Fc1ccc2c(c1)CC[C@@H]2[NH2+]Cc1ccccc1CN1CCOCC1 ZINC000160421583 455457020 /nfs/dbraw/zinc/45/70/20/455457020.db2.gz HKHVIMLTXYGOEP-NRFANRHFSA-N 1 0 340.442 3.435 20 70 EGIDRO O[C@H]1CCCC[C@@H]1C[NH2+]C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000160561542 455474733 /nfs/dbraw/zinc/47/47/33/455474733.db2.gz LFBRAEKTJUDNGN-APWZRJJASA-N 1 0 336.907 3.445 20 70 EGIDRO O=C(c1cccc(OC2CCCCC2)c1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000159417510 455376149 /nfs/dbraw/zinc/37/61/49/455376149.db2.gz HPZFOYXOVSVTSP-CALCHBBNSA-N 1 0 328.456 3.365 20 70 EGIDRO Cc1ccccc1[C@@H]1C[C@H](C)N(C(=O)NC[C@@H]2CCC[N@H+](C)C2)C1 ZINC000159446083 455377274 /nfs/dbraw/zinc/37/72/74/455377274.db2.gz JEVFBODVLPRSIT-OKZBNKHCSA-N 1 0 329.488 3.224 20 70 EGIDRO Cc1nc(Cc2ccccc2)sc1C(=O)NCC1([NH3+])CCCCC1 ZINC000159470219 455379004 /nfs/dbraw/zinc/37/90/04/455379004.db2.gz KKTAKTWIIJYEAC-UHFFFAOYSA-N 1 0 343.496 3.434 20 70 EGIDRO CCC(=O)N1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)CC1 ZINC000159468587 455379700 /nfs/dbraw/zinc/37/97/00/455379700.db2.gz QGONHQKCSRZPTB-UHFFFAOYSA-N 1 0 345.270 3.317 20 70 EGIDRO C[C@@H]([NH2+][C@@H](Cc1ccccc1)C(=O)Nc1ccccc1)c1cnn(C)c1 ZINC000159571298 455386141 /nfs/dbraw/zinc/38/61/41/455386141.db2.gz UTICZRAZHQHRIP-UZLBHIALSA-N 1 0 348.450 3.321 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2cccc(OC(F)F)c2)CC1 ZINC000159632375 455391586 /nfs/dbraw/zinc/39/15/86/455391586.db2.gz ZMUHYFKCRVKDTN-CYBMUJFWSA-N 1 0 341.402 3.086 20 70 EGIDRO CC[NH2+]CCCNC(=O)c1ccc2cc(Br)ccc2c1 ZINC000159641643 455391788 /nfs/dbraw/zinc/39/17/88/455391788.db2.gz JOGWGGWWAPSITD-UHFFFAOYSA-N 1 0 335.245 3.332 20 70 EGIDRO C[C@H](NC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O)c1ccc2ccccc2c1 ZINC000159722200 455398666 /nfs/dbraw/zinc/39/86/66/455398666.db2.gz FKMMQSNGJJJMLC-YSSFQJQWSA-N 1 0 340.467 3.110 20 70 EGIDRO Cc1cnn(-c2ccc(NC(=O)C[C@@H](C)[C@@H]3CCC[NH2+]C3)cc2F)c1 ZINC000159777157 455402781 /nfs/dbraw/zinc/40/27/81/455402781.db2.gz VZDMXCOVXLJWEF-HUUCEWRRSA-N 1 0 344.434 3.284 20 70 EGIDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1ccc(F)cc1F ZINC000159887930 455412806 /nfs/dbraw/zinc/41/28/06/455412806.db2.gz UYPBWMIPLZVJCW-MRXNPFEDSA-N 1 0 325.403 3.153 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCC2(c3cccc(Cl)c3)CC2)CC1 ZINC000159891302 455413605 /nfs/dbraw/zinc/41/36/05/455413605.db2.gz VWOSIKODOZJTBO-UHFFFAOYSA-N 1 0 335.879 3.109 20 70 EGIDRO C[C@H]1CCC[N@H+](CCNC(=O)Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC000159899852 455413692 /nfs/dbraw/zinc/41/36/92/455413692.db2.gz NOSJJZCGKZCMGO-ZDUSSCGKSA-N 1 0 333.863 3.212 20 70 EGIDRO C[C@@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(SC(F)F)cc1 ZINC000160613685 455480129 /nfs/dbraw/zinc/48/01/29/455480129.db2.gz JKYJFGPTUASABC-MRVPVSSYSA-N 1 0 342.333 3.330 20 70 EGIDRO Cc1ccc(CN(C(=O)N[C@H]2CC[N@H+](CC3CC3)C2)C(C)C)s1 ZINC000160678704 455486409 /nfs/dbraw/zinc/48/64/09/455486409.db2.gz YUVZIQVLBCYYED-INIZCTEOSA-N 1 0 335.517 3.461 20 70 EGIDRO CC(C)[NH2+]CCC(=O)Nc1cccc(C[S@@](=O)c2ccccc2)c1 ZINC000160851063 455505455 /nfs/dbraw/zinc/50/54/55/455505455.db2.gz NMKPKDRZRPAUPM-DEOSSOPVSA-N 1 0 344.480 3.321 20 70 EGIDRO Cc1cccc(OC[C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)c1 ZINC000160916312 455513102 /nfs/dbraw/zinc/51/31/02/455513102.db2.gz ZKCHKBMKECYPGS-MRXNPFEDSA-N 1 0 326.440 3.254 20 70 EGIDRO CN(Cc1cnc2ccccn12)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000160922843 455513958 /nfs/dbraw/zinc/51/39/58/455513958.db2.gz LPZKAOBYUMTJQF-IBGZPJMESA-N 1 0 334.467 3.431 20 70 EGIDRO Cc1ccccc1COc1c(C)cc(CN(C)C(=O)[C@@H](C)[NH3+])cc1C ZINC000160945223 455516491 /nfs/dbraw/zinc/51/64/91/455516491.db2.gz AOMDWSJHSQQIIR-QGZVFWFLSA-N 1 0 340.467 3.496 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@H](C)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000160954736 455517505 /nfs/dbraw/zinc/51/75/05/455517505.db2.gz ZCJOXWFVTKDYTJ-MNOVXSKESA-N 1 0 333.259 3.263 20 70 EGIDRO [NH3+][C@H]1CCC[C@@H](NC(=O)CSc2cc(Cl)ccc2Cl)C1 ZINC000160968509 455518991 /nfs/dbraw/zinc/51/89/91/455518991.db2.gz FZOSXLWEAPKOEE-WDEREUQCSA-N 1 0 333.284 3.472 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H]1C[C@H](C)c2c1cccc2Br ZINC000160978127 455520187 /nfs/dbraw/zinc/52/01/87/455520187.db2.gz VKRFVIAIJQBDRL-GXFFZTMASA-N 1 0 325.250 3.112 20 70 EGIDRO [NH3+][C@@H]1CCC[C@H](NC(=O)Cc2csc(-c3ccccc3Cl)n2)C1 ZINC000161007243 455523144 /nfs/dbraw/zinc/52/31/44/455523144.db2.gz NGEMIXAOLUCDLR-NEPJUHHUSA-N 1 0 349.887 3.392 20 70 EGIDRO CC[C@H]([NH2+]C1CCN(C(=O)c2ccc(C)cc2)CC1)[C@@H]1CCOC1 ZINC000161026298 455524865 /nfs/dbraw/zinc/52/48/65/455524865.db2.gz JQTGRZPHJWEZQX-MJGOQNOKSA-N 1 0 330.472 3.004 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2ccc(N(C)CC(C)C)cc2)CC1 ZINC000161025904 455525063 /nfs/dbraw/zinc/52/50/63/455525063.db2.gz UUBAJGQNNWPKAQ-UHFFFAOYSA-N 1 0 331.504 3.241 20 70 EGIDRO CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 ZINC000161080532 455530510 /nfs/dbraw/zinc/53/05/10/455530510.db2.gz ZBOMPAMFSPKADT-LIRRHRJNSA-N 1 0 326.440 3.352 20 70 EGIDRO C[N@H+](CC(=O)Nc1c(Cl)cccc1Cl)[C@@H]1CCCC[C@@H]1O ZINC000161086276 455532055 /nfs/dbraw/zinc/53/20/55/455532055.db2.gz QGEGULZCSXMZOL-OLZOCXBDSA-N 1 0 331.243 3.167 20 70 EGIDRO CSCC[C@H]([NH3+])C(=O)Nc1ccc(COCc2ccccc2)cc1 ZINC000161090910 455532142 /nfs/dbraw/zinc/53/21/42/455532142.db2.gz ZAEKUPBZOTTXIA-SFHVURJKSA-N 1 0 344.480 3.422 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCOc2cccc3ccccc32)C1 ZINC000161097864 455532640 /nfs/dbraw/zinc/53/26/40/455532640.db2.gz UIRIFPJNKVDPSR-IRXDYDNUSA-N 1 0 326.440 3.385 20 70 EGIDRO CCCCn1ncc(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)c1C ZINC000161101780 455534263 /nfs/dbraw/zinc/53/42/63/455534263.db2.gz XJEKHDIMUNMDGL-SFHVURJKSA-N 1 0 346.450 3.163 20 70 EGIDRO C[C@H]([NH3+])C(=O)Nc1cc(C(F)(F)F)ccc1SCC(F)F ZINC000161130802 455538395 /nfs/dbraw/zinc/53/83/95/455538395.db2.gz QDUBCRRDXAVWDR-LURJTMIESA-N 1 0 328.306 3.348 20 70 EGIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(-n2ccnc2)cc1 ZINC000161136860 455538439 /nfs/dbraw/zinc/53/84/39/455538439.db2.gz VLRGDCHKSUVQOA-HNNXBMFYSA-N 1 0 335.407 3.494 20 70 EGIDRO CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161145448 455540105 /nfs/dbraw/zinc/54/01/05/455540105.db2.gz NKVIBFFCUCHOMY-XOBRGWDASA-N 1 0 346.471 3.146 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCCc3c2cnn3C)c1 ZINC000161144840 455540170 /nfs/dbraw/zinc/54/01/70/455540170.db2.gz LRAYUZQHRONNFR-RDTXWAMCSA-N 1 0 340.471 3.116 20 70 EGIDRO COCC[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc(F)cc1 ZINC000161156089 455541306 /nfs/dbraw/zinc/54/13/06/455541306.db2.gz YYGGMLFCAGFHMW-KRWDZBQOSA-N 1 0 331.387 3.464 20 70 EGIDRO CC(C)(C)C(=O)N1CCC(C[N@H+](Cc2ccncc2)C2CC2)CC1 ZINC000161160828 455542019 /nfs/dbraw/zinc/54/20/19/455542019.db2.gz TWGSBZMIURRZAN-UHFFFAOYSA-N 1 0 329.488 3.331 20 70 EGIDRO C[C@H](C(=O)N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Br)s1 ZINC000161223598 455549385 /nfs/dbraw/zinc/54/93/85/455549385.db2.gz JKOBHZSDRYXUDB-LPEHRKFASA-N 1 0 331.279 3.000 20 70 EGIDRO COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)C2CCOCC2)cc1OC ZINC000161254913 455553061 /nfs/dbraw/zinc/55/30/61/455553061.db2.gz QHJGOOHHLIRQPK-LSDHHAIUSA-N 1 0 337.460 3.186 20 70 EGIDRO CC(C)CCn1ccc(NC(=O)NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000161254546 455553368 /nfs/dbraw/zinc/55/33/68/455553368.db2.gz ORIUJFMNSIMXBJ-MRXNPFEDSA-N 1 0 335.496 3.173 20 70 EGIDRO COc1ccc(-c2ccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)cc2)cc1 ZINC000161265703 455554027 /nfs/dbraw/zinc/55/40/27/455554027.db2.gz GYFGZDMJSQEASB-GOSISDBHSA-N 1 0 326.440 3.352 20 70 EGIDRO C[C@H](C1CC1)N(C)C(=O)NC1CC[NH+]([C@@H](C)c2ccncc2)CC1 ZINC000161278095 455554648 /nfs/dbraw/zinc/55/46/48/455554648.db2.gz ILOVJANUNDHDEE-CABCVRRESA-N 1 0 330.476 3.047 20 70 EGIDRO COc1ccc([C@H](NC(=O)[C@@H](C)[NH3+])c2ccccc2Cl)c(C)c1 ZINC000161272014 455554942 /nfs/dbraw/zinc/55/49/42/455554942.db2.gz QKEMSFJLDCJHKZ-PXAZEXFGSA-N 1 0 332.831 3.210 20 70 EGIDRO C[C@H](c1ccncc1)[NH+]1CCC(NC(=O)N(C)[C@@H](C)C2CC2)CC1 ZINC000161277984 455555086 /nfs/dbraw/zinc/55/50/86/455555086.db2.gz ILOVJANUNDHDEE-LSDHHAIUSA-N 1 0 330.476 3.047 20 70 EGIDRO COc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)cc1N ZINC000161291051 455556606 /nfs/dbraw/zinc/55/66/06/455556606.db2.gz WGMBTNXJANGUIU-GOSISDBHSA-N 1 0 339.439 3.271 20 70 EGIDRO CCO[C@H]1C[C@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1(CC)CC ZINC000161318821 455558451 /nfs/dbraw/zinc/55/84/51/455558451.db2.gz ZOAGOQBSDWRLLN-ROUUACIJSA-N 1 0 348.487 3.458 20 70 EGIDRO CC(C)[N@H+]1C[C@H](NC(=O)c2c[nH]nc2-c2cccc(Cl)c2)[C@@H](C)C1 ZINC000161381328 455565263 /nfs/dbraw/zinc/56/52/63/455565263.db2.gz CBBGJDSTMWGCMB-LRDDRELGSA-N 1 0 346.862 3.189 20 70 EGIDRO FC(F)Oc1ccc(C[N@@H+]2CCC[C@H](c3nnc4n3CCC4)C2)cc1 ZINC000161393999 455565580 /nfs/dbraw/zinc/56/55/80/455565580.db2.gz DEDSJVYXSGTFAS-AWEZNQCLSA-N 1 0 348.397 3.205 20 70 EGIDRO CC(C)OCCCNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000161489886 455574860 /nfs/dbraw/zinc/57/48/60/455574860.db2.gz IDBHLRVNZMFIGH-UHFFFAOYSA-N 1 0 332.488 3.220 20 70 EGIDRO C[C@@H](c1ccccc1)N1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161507871 455576043 /nfs/dbraw/zinc/57/60/43/455576043.db2.gz FFIUTKLEGMIPNW-KRWDZBQOSA-N 1 0 344.499 3.487 20 70 EGIDRO OCC[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1CCCCC1 ZINC000216639140 456030570 /nfs/dbraw/zinc/03/05/70/456030570.db2.gz YLYMVDIXNXSSIX-UHFFFAOYSA-N 1 0 325.836 3.238 20 70 EGIDRO CCOC(=O)c1ccsc1NC(=O)C[NH2+][C@@H]1CCC[C@H](C)[C@@H]1C ZINC000217143746 456030850 /nfs/dbraw/zinc/03/08/50/456030850.db2.gz GWUNRMATCRUJDH-SGMGOOAPSA-N 1 0 338.473 3.278 20 70 EGIDRO C[C@@H]([NH2+][C@@H](c1ccccc1)C1CC1)C(=O)NC(=O)NC1CCCCC1 ZINC000217461150 456033371 /nfs/dbraw/zinc/03/33/71/456033371.db2.gz QRBMKXHNNKJCSU-KDOFPFPSSA-N 1 0 343.471 3.274 20 70 EGIDRO CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccc(OC(F)F)cc1 ZINC000160605350 517824910 /nfs/dbraw/zinc/82/49/10/517824910.db2.gz QCKUIIVPHHCNFB-NSHDSACASA-N 1 0 340.292 3.007 20 70 EGIDRO CC(C)([NH3+])CNC(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000160013326 527254486 /nfs/dbraw/zinc/25/44/86/527254486.db2.gz FNKQJQYEYXMXNH-UHFFFAOYSA-N 1 0 328.256 3.191 20 70 EGIDRO CCCCOc1ccc(C[NH+]2CCC(CC(N)=O)CC2)cc1OCC ZINC000159820546 528672122 /nfs/dbraw/zinc/67/21/22/528672122.db2.gz MCLZNXCUJDHBON-UHFFFAOYSA-N 1 0 348.487 3.352 20 70 EGIDRO CCC[C@@H]([NH2+][C@@H](COC)C(C)C)C(=O)N1CCc2sccc2C1 ZINC000160194799 529019529 /nfs/dbraw/zinc/01/95/29/529019529.db2.gz HYTCGJISGPTGLJ-CVEARBPZSA-N 1 0 338.517 3.062 20 70 EGIDRO Cc1nc2n(n1)C[C@H]([NH2+][C@@H]1CCSc3c(Cl)cccc31)CC2 ZINC000160539666 546947308 /nfs/dbraw/zinc/94/73/08/546947308.db2.gz FFDNGCBCHJHXRD-BXUZGUMPSA-N 1 0 334.876 3.381 20 70 EGIDRO C[C@H](CC(=O)N(CC[NH+](C)C)Cc1cccs1)c1ccncc1 ZINC000161421032 546955918 /nfs/dbraw/zinc/95/59/18/546955918.db2.gz IRGXJRXENAWNDW-OAHLLOKOSA-N 1 0 331.485 3.227 20 70 EGIDRO CC[C@@H](NC(=O)N1CCC[N@H+](CC)CC1)c1cc(F)ccc1F ZINC000159894970 529608913 /nfs/dbraw/zinc/60/89/13/529608913.db2.gz OPHCLEQGUVSAPZ-MRXNPFEDSA-N 1 0 325.403 3.153 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)C1 ZINC000160782304 532968853 /nfs/dbraw/zinc/96/88/53/532968853.db2.gz NCPYIWLKIQYBSO-QGZVFWFLSA-N 1 0 326.465 3.413 20 70 EGIDRO Cc1[nH]c2ccc(Cl)cc2c1C(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000159449272 533624545 /nfs/dbraw/zinc/62/45/45/533624545.db2.gz CWZLIFDAOACSLQ-UONOGXRCSA-N 1 0 331.847 3.438 20 70 EGIDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC000159399787 533650627 /nfs/dbraw/zinc/65/06/27/533650627.db2.gz IRBNYZJDHYDEBU-CABCVRRESA-N 1 0 328.412 3.119 20 70 EGIDRO C[C@](C[NH3+])(NC(=O)c1ccc2cc(Br)ccc2c1)C1CC1 ZINC000159656806 140943902 /nfs/dbraw/zinc/94/39/02/140943902.db2.gz DYBVKPZXNBZOGU-QGZVFWFLSA-N 1 0 347.256 3.460 20 70 EGIDRO C[C@@H](c1ccncc1)[NH+]1CCC(NC(=O)N2CCCCCC2)CC1 ZINC000161170813 287157083 /nfs/dbraw/zinc/15/70/83/287157083.db2.gz ITBCTDNUFYPQAK-INIZCTEOSA-N 1 0 330.476 3.193 20 70 EGIDRO COc1ccccc1Oc1ccc(CNC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000159536144 225235162 /nfs/dbraw/zinc/23/51/62/225235162.db2.gz CYLQAACSQJAHHV-MRXNPFEDSA-N 1 0 340.423 3.103 20 70 EGIDRO O=C(c1cc(Br)cs1)N1CCC([NH2+]CC2CC2)CC1 ZINC000159742226 225269427 /nfs/dbraw/zinc/26/94/27/225269427.db2.gz ZEEDVXUXGPYQOU-UHFFFAOYSA-N 1 0 343.290 3.115 20 70 EGIDRO Cc1cc(NC(=O)[C@@H]2CCC[C@H]([NH3+])C2)ccc1OCC(F)(F)F ZINC000159564835 225240206 /nfs/dbraw/zinc/24/02/06/225240206.db2.gz CSXSIJKNYNAPFN-NEPJUHHUSA-N 1 0 330.350 3.392 20 70 EGIDRO [NH3+]C[C@@H]1CCCN1C(=O)c1ccc(Oc2ccc(F)cc2F)cc1 ZINC000160180963 225357133 /nfs/dbraw/zinc/35/71/33/225357133.db2.gz MVBSFMBALNGJLG-AWEZNQCLSA-N 1 0 332.350 3.320 20 70 EGIDRO [NH3+][C@@H]1CCN(C(=O)c2oc3ccccc3c2COc2ccccc2)C1 ZINC000160221870 225363858 /nfs/dbraw/zinc/36/38/58/225363858.db2.gz NVYXJZDTRCECET-CQSZACIVSA-N 1 0 336.391 3.185 20 70 EGIDRO COc1ccccc1[C@H](NC(=O)CC[NH2+]C(C)C)c1ccccc1 ZINC000159466121 307874264 /nfs/dbraw/zinc/87/42/64/307874264.db2.gz MVARXWBANUEOCL-HXUWFJFHSA-N 1 0 326.440 3.289 20 70 EGIDRO C[C@@H]([NH2+]CCCN1CCCC1=O)c1ccc(F)c(Br)c1 ZINC000159480516 307874725 /nfs/dbraw/zinc/87/47/25/307874725.db2.gz WGAYDFYJVKYTBG-LLVKDONJSA-N 1 0 343.240 3.251 20 70 EGIDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(CCC(F)(F)F)cc1)C1CC1 ZINC000159578266 307876058 /nfs/dbraw/zinc/87/60/58/307876058.db2.gz RXQSRLUIWYFPSB-HNNXBMFYSA-N 1 0 328.378 3.252 20 70 EGIDRO COC(=O)c1csc(NC(=O)NCCC[NH+](C(C)C)C(C)C)c1 ZINC000160965671 307896854 /nfs/dbraw/zinc/89/68/54/307896854.db2.gz MWYODHQIROZUNW-UHFFFAOYSA-N 1 0 341.477 3.165 20 70 EGIDRO O=C(CCOc1ccc(Cl)cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160045517 455423942 /nfs/dbraw/zinc/42/39/42/455423942.db2.gz ASLCFHJMQSFSNL-BETUJISGSA-N 1 0 343.254 3.115 20 70 EGIDRO Cc1csc(N2CCC([NH2+]Cc3ccc(OC(C)C)nc3)CC2)n1 ZINC000160046493 455424223 /nfs/dbraw/zinc/42/42/23/455424223.db2.gz UOAJBPQJDZJFPG-UHFFFAOYSA-N 1 0 346.500 3.392 20 70 EGIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N1CCCCC[C@H]1c1ccncc1 ZINC000160759677 455495850 /nfs/dbraw/zinc/49/58/50/455495850.db2.gz FQRKURFEWCKJDY-OALUTQOASA-N 1 0 342.487 3.193 20 70 EGIDRO CCn1cc([C@@H](C)[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000160758974 455496072 /nfs/dbraw/zinc/49/60/72/455496072.db2.gz YMVPGYLWYMCEND-SQGPQFPESA-N 1 0 326.488 3.464 20 70 EGIDRO Cc1noc(Cl)c1CC(=O)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000159600135 455388126 /nfs/dbraw/zinc/38/81/26/455388126.db2.gz VRHAVVMFDJIDGG-MRXNPFEDSA-N 1 0 347.846 3.132 20 70 EGIDRO Cc1ccc(CCNC(=O)N(CC[NH+](C)C)CC2CCCCC2)cn1 ZINC000159636346 455391495 /nfs/dbraw/zinc/39/14/95/455391495.db2.gz LXASILZUBGZIJP-UHFFFAOYSA-N 1 0 346.519 3.086 20 70 EGIDRO CCCCn1ncc(C(=O)NC[C@@H](c2ccccc2)[NH+](C)C)c1C ZINC000159702078 455396793 /nfs/dbraw/zinc/39/67/93/455396793.db2.gz BKGOLTVXXYICGJ-SFHVURJKSA-N 1 0 328.460 3.024 20 70 EGIDRO Cc1cccc(C)c1OCC[NH2+][C@@H](C)c1ccc(-n2cnnn2)cc1 ZINC000160279002 455443566 /nfs/dbraw/zinc/44/35/66/455443566.db2.gz YMLHBEHULMXASA-INIZCTEOSA-N 1 0 337.427 3.009 20 70 EGIDRO CCc1ccc(CCNC(=O)N2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000160368970 455451785 /nfs/dbraw/zinc/45/17/85/455451785.db2.gz MEPIYRKZDVRCBR-HXUWFJFHSA-N 1 0 343.515 3.451 20 70 EGIDRO CSC[C@@H](CCO)[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21 ZINC000160425950 455457889 /nfs/dbraw/zinc/45/78/89/455457889.db2.gz RVJJLRBPYDEXIT-BXUZGUMPSA-N 1 0 335.391 3.276 20 70 EGIDRO CSCC[C@H]([NH3+])C(=O)NCCc1cccc(-c2ccccc2)c1 ZINC000160524569 455469887 /nfs/dbraw/zinc/46/98/87/455469887.db2.gz JCJLBRTWUKOTLN-SFHVURJKSA-N 1 0 328.481 3.093 20 70 EGIDRO CC1(O)CC[NH+](CCCC(=O)c2ccc(Br)cc2)CC1 ZINC000160549091 455472570 /nfs/dbraw/zinc/47/25/70/455472570.db2.gz IKEIRJMCSRNYSC-UHFFFAOYSA-N 1 0 340.261 3.259 20 70 EGIDRO Cn1ncc2c1CCC[C@H]2[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000160555803 455474036 /nfs/dbraw/zinc/47/40/36/455474036.db2.gz QEAMEVBSWFPZQT-GOSISDBHSA-N 1 0 339.487 3.363 20 70 EGIDRO C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160645667 455483946 /nfs/dbraw/zinc/48/39/46/455483946.db2.gz VWCPRDVFCQJILQ-OXJNMPFZSA-N 1 0 341.499 3.481 20 70 EGIDRO CCC(CC)n1nccc1C(=O)NC[C@H](c1cccc(F)c1)[NH+](C)C ZINC000160715785 455490908 /nfs/dbraw/zinc/49/09/08/455490908.db2.gz UQPQRKVRVMSEHX-GOSISDBHSA-N 1 0 346.450 3.416 20 70 EGIDRO CC1(C)C[C@H]1C(=O)NCCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000160858889 455505410 /nfs/dbraw/zinc/50/54/10/455505410.db2.gz AZRSIZDFAGWBAA-IBGZPJMESA-N 1 0 344.499 3.220 20 70 EGIDRO CC[N@@H+](Cc1cnc2ccccn12)CC1CCN(c2ccccn2)CC1 ZINC000160889857 455509162 /nfs/dbraw/zinc/50/91/62/455509162.db2.gz HMMJZCOJJSCIAW-UHFFFAOYSA-N 1 0 349.482 3.468 20 70 EGIDRO C[C@H](C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1)N(C)Cc1ccccc1 ZINC000160893053 455509342 /nfs/dbraw/zinc/50/93/42/455509342.db2.gz HVQOBIGNIUEZGY-QZTJIDSGSA-N 1 0 349.482 3.438 20 70 EGIDRO C[C@@H]1CC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C[C@@H]1n1ccnc1 ZINC000160886093 455509367 /nfs/dbraw/zinc/50/93/67/455509367.db2.gz KOMRUEKRMYBQJX-AEFFLSMTSA-N 1 0 346.519 3.051 20 70 EGIDRO Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](CCO)c1ccccc1 ZINC000160954998 455517971 /nfs/dbraw/zinc/51/79/71/455517971.db2.gz WFOJTLQERXXNIA-QFBILLFUSA-N 1 0 326.440 3.425 20 70 EGIDRO c1cc2c(s1)CCC[C@H]2[NH2+]Cc1cnc(N2CCOCC2)s1 ZINC000160974115 455519388 /nfs/dbraw/zinc/51/93/88/455519388.db2.gz PVAFZOXIWLLAKI-CQSZACIVSA-N 1 0 335.498 3.208 20 70 EGIDRO COc1cc([C@H](C)[NH2+]CC(=O)NC(C)C)ccc1SC(F)F ZINC000160990128 455521036 /nfs/dbraw/zinc/52/10/36/455521036.db2.gz RKLITJIYGASVJK-JTQLQIEISA-N 1 0 332.416 3.185 20 70 EGIDRO CC[C@@H](C)[NH2+]CCC(=O)N(C)Cc1ccccc1Br ZINC000161036632 455525913 /nfs/dbraw/zinc/52/59/13/455525913.db2.gz UFPYSTNORWCQHW-GFCCVEGCSA-N 1 0 327.266 3.186 20 70 EGIDRO Cc1cccn2c(=O)cc(CSCC[NH+](C(C)C)C(C)C)nc12 ZINC000161066510 455528406 /nfs/dbraw/zinc/52/84/06/455528406.db2.gz RSPFCAYDPDHTPQ-UHFFFAOYSA-N 1 0 333.501 3.355 20 70 EGIDRO Cc1c(C(=O)NCC(C)(C)C[NH+](C)C)cnn1-c1cc(C)ccc1C ZINC000161088244 455531411 /nfs/dbraw/zinc/53/14/11/455531411.db2.gz UTBHHCHREIFFJH-UHFFFAOYSA-N 1 0 342.487 3.115 20 70 EGIDRO O=C(NCC1(c2cccc(C(F)(F)F)c2)CCC1)[C@H]1CCCC[NH2+]1 ZINC000161175229 455544651 /nfs/dbraw/zinc/54/46/51/455544651.db2.gz PTNIZNXFBQOSHX-OAHLLOKOSA-N 1 0 340.389 3.385 20 70 EGIDRO Cc1ccc(C(=O)N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(Br)c1 ZINC000161183331 455545376 /nfs/dbraw/zinc/54/53/76/455545376.db2.gz DYMDTARWHSPQAR-CHWSQXEVSA-N 1 0 337.261 3.114 20 70 EGIDRO CCC[N@H+](CCO)Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000161201895 455547977 /nfs/dbraw/zinc/54/79/77/455547977.db2.gz IXWNOUGOTAAICJ-UHFFFAOYSA-N 1 0 327.350 3.095 20 70 EGIDRO FC(F)(F)Oc1ccccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000161241853 455551410 /nfs/dbraw/zinc/55/14/10/455551410.db2.gz AJURLVZFWJCNTP-UHFFFAOYSA-N 1 0 331.334 3.361 20 70 EGIDRO Cc1c(NC(=O)NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cnn1CCC(C)C ZINC000161268700 455554277 /nfs/dbraw/zinc/55/42/77/455554277.db2.gz NVDUFAAQAJMBPO-JKSUJKDBSA-N 1 0 349.523 3.480 20 70 EGIDRO FC(F)(F)Oc1ccc(CC[NH2+]C2CCC3(CC2)OCCO3)cc1 ZINC000161307099 455556968 /nfs/dbraw/zinc/55/69/68/455556968.db2.gz FOOMCZRQUNIJBO-UHFFFAOYSA-N 1 0 345.361 3.403 20 70 EGIDRO CC[N@H+](C)Cc1cccc(CNC(=O)[C@H](O)c2ccccc2Cl)c1 ZINC000161317803 455558094 /nfs/dbraw/zinc/55/80/94/455558094.db2.gz GRPHVMSCYKWRBZ-GOSISDBHSA-N 1 0 346.858 3.142 20 70 EGIDRO CCCOc1ccc(/C=C/C(=O)N2CCC[C@@H]2C[NH2+]C)cc1OCC ZINC000161335010 455560283 /nfs/dbraw/zinc/56/02/83/455560283.db2.gz XSGNYIOANGAVPZ-QXLXQBSBSA-N 1 0 346.471 3.098 20 70 EGIDRO COCC[NH+]1CCC(NC(=O)CCc2ccc(CC(C)C)cc2)CC1 ZINC000161347140 455561202 /nfs/dbraw/zinc/56/12/02/455561202.db2.gz ZZPKODZVCWEQMT-UHFFFAOYSA-N 1 0 346.515 3.045 20 70 EGIDRO Cc1cc(N(C)C)ccc1NC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000161434532 455570071 /nfs/dbraw/zinc/57/00/71/455570071.db2.gz CRJTXYIQPHZZIR-YJBOKZPZSA-N 1 0 330.476 3.009 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H]2CCc3ccc(F)cc32)c1 ZINC000161455707 455572332 /nfs/dbraw/zinc/57/23/32/455572332.db2.gz SWAIVFRCISMMPO-KZULUSFZSA-N 1 0 348.443 3.072 20 70 EGIDRO O=C1c2ccccc2C(=O)N1CCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000218201668 456034662 /nfs/dbraw/zinc/03/46/62/456034662.db2.gz CQCUHTWFDLBIQV-IBGZPJMESA-N 1 0 334.419 3.414 20 70 EGIDRO CC(C)(C)C(=O)N1CCC(C[NH+]2CCN(c3cccs3)CC2)CC1 ZINC000160143794 527569210 /nfs/dbraw/zinc/56/92/10/527569210.db2.gz OKMWUTCDNRFKCI-UHFFFAOYSA-N 1 0 349.544 3.155 20 70 EGIDRO CCCNC(=O)[C@@H]1CCC[N@H+](Cc2ncc(-c3ccccc3F)o2)C1 ZINC000159874578 528432602 /nfs/dbraw/zinc/43/26/02/528432602.db2.gz RQGCYTSNBPMZKA-CQSZACIVSA-N 1 0 345.418 3.219 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)NCc1cccc(NC(=O)CC(C)C)c1 ZINC000161191666 528650625 /nfs/dbraw/zinc/65/06/25/528650625.db2.gz OFDQXDSFOFMHEY-UHFFFAOYSA-N 1 0 333.476 3.053 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)N[C@H](C)c2ccc(F)cc2Cl)CC1 ZINC000159881639 529031251 /nfs/dbraw/zinc/03/12/51/529031251.db2.gz GNKKSCFHOCORDN-GFCCVEGCSA-N 1 0 327.831 3.277 20 70 EGIDRO C[C@H](C(=O)Nc1ccc(Cl)c(Cl)c1)[N@H+](C)C[C@H](O)C1CC1 ZINC000160744009 546949964 /nfs/dbraw/zinc/94/99/64/546949964.db2.gz BKALTJWGMOKDNB-OTYXRUKQSA-N 1 0 331.243 3.023 20 70 EGIDRO CC(C)CC[NH+]1CCC(CNC(=O)C[C@H](C)c2ccncc2)CC1 ZINC000161050149 546952225 /nfs/dbraw/zinc/95/22/25/546952225.db2.gz KAFLPJOXKSZBOB-KRWDZBQOSA-N 1 0 331.504 3.450 20 70 EGIDRO C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000218721340 547240557 /nfs/dbraw/zinc/24/05/57/547240557.db2.gz UTHMISPTFDAWMT-TXPKVOOTSA-N 1 0 347.478 3.031 20 70 EGIDRO C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000217188833 287272242 /nfs/dbraw/zinc/27/22/42/287272242.db2.gz KQEFONSPMPHPQJ-FUMNGEBKSA-N 1 0 349.563 3.362 20 70 EGIDRO C[C@H](C[NH2+]C1CCN(CC(F)(F)F)CC1)N1CCc2ccccc21 ZINC000159907928 225300663 /nfs/dbraw/zinc/30/06/63/225300663.db2.gz DGYVZTKBXFNFSX-CQSZACIVSA-N 1 0 341.421 3.054 20 70 EGIDRO COCC[C@H](C)[NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC000159582138 225243773 /nfs/dbraw/zinc/24/37/73/225243773.db2.gz UOVDXIDGLHHAFL-QFBILLFUSA-N 1 0 326.440 3.251 20 70 EGIDRO C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H](O)c1ccccc1Cl ZINC000159593880 225244623 /nfs/dbraw/zinc/24/46/23/225244623.db2.gz BDDCOZVMIMMNNE-RHSMWYFYSA-N 1 0 338.879 3.144 20 70 EGIDRO O=C(CC1CC[NH2+]CC1)N[C@@H](c1ccc(Cl)cc1)C(F)(F)F ZINC000160691846 225454739 /nfs/dbraw/zinc/45/47/39/225454739.db2.gz PGYSPKJSARELEI-AWEZNQCLSA-N 1 0 334.769 3.449 20 70 EGIDRO Cc1ccccc1OCCNC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000160733591 307894194 /nfs/dbraw/zinc/89/41/94/307894194.db2.gz XFOMJUZRUDJZFM-UHFFFAOYSA-N 1 0 347.503 3.137 20 70 EGIDRO CC(C)CC[C@@](C)(O)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000159379369 455373834 /nfs/dbraw/zinc/37/38/34/455373834.db2.gz LQZCMQACCHPDCD-DNVCBOLYSA-N 1 0 334.460 3.481 20 70 EGIDRO Cc1ccc(CNC(=O)N(CC[NH+](C)C)C(C)C)c(OCC2CC2)c1 ZINC000159546130 455384559 /nfs/dbraw/zinc/38/45/59/455384559.db2.gz WWHKGMDXHWFOKA-UHFFFAOYSA-N 1 0 347.503 3.265 20 70 EGIDRO CC[C@@H](C)Oc1cc(C)ccc1CNC(=O)N1CCC[N@H+](CC)CC1 ZINC000159971345 455419131 /nfs/dbraw/zinc/41/91/31/455419131.db2.gz BVKOKXQRUZVECO-QGZVFWFLSA-N 1 0 347.503 3.410 20 70 EGIDRO CCC[C@H](C)[NH2+]C1CCN(C(=O)c2ccc(OC)cc2OC)CC1 ZINC000159985812 455420320 /nfs/dbraw/zinc/42/03/20/455420320.db2.gz YCYAIFQYFSFZTB-AWEZNQCLSA-N 1 0 334.460 3.087 20 70 EGIDRO C[C@@H]1C[C@@H](NC(=O)N(C)C(C2CC2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000160092569 455428154 /nfs/dbraw/zinc/42/81/54/455428154.db2.gz VVGMWVNZSDKSAH-DNVCBOLYSA-N 1 0 341.499 3.479 20 70 EGIDRO C[C@@H]1C[C@H](NC(=O)N(C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160377876 455452984 /nfs/dbraw/zinc/45/29/84/455452984.db2.gz HGZHGEJIDQPDHE-XLIONFOSSA-N 1 0 337.467 3.491 20 70 EGIDRO C[C@H]1C[C@@H](NC(=O)N(C)Cc2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000160378184 455453206 /nfs/dbraw/zinc/45/32/06/455453206.db2.gz HGZHGEJIDQPDHE-FXAWDEMLSA-N 1 0 337.467 3.491 20 70 EGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)Cc1csc(C(C)(C)C)n1 ZINC000160442169 455459119 /nfs/dbraw/zinc/45/91/19/455459119.db2.gz VYRWTMVNBBAQGQ-OAHLLOKOSA-N 1 0 337.533 3.220 20 70 EGIDRO O=C(CCc1ccc(Cl)cc1Cl)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000160687174 455488074 /nfs/dbraw/zinc/48/80/74/455488074.db2.gz LIWJVQHGKWKAQB-OKILXGFUSA-N 1 0 327.255 3.279 20 70 EGIDRO COc1cc2c(cc1C[NH2+][C@H]1[C@@H]3CCO[C@@H]3C13CCC3)O[C@@H](C)C2 ZINC000159537775 455383220 /nfs/dbraw/zinc/38/32/20/455383220.db2.gz HPANASUEORSUKR-IHUDTTQWSA-N 1 0 329.440 3.066 20 70 EGIDRO COC[C@H]([NH2+][C@H](Cc1ccccc1)C(=O)Nc1ccccc1)C(C)C ZINC000159577694 455386914 /nfs/dbraw/zinc/38/69/14/455386914.db2.gz ADCATKKEVBHTLV-UXHICEINSA-N 1 0 340.467 3.497 20 70 EGIDRO CCCCO[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1(C)C ZINC000159806120 455406166 /nfs/dbraw/zinc/40/61/66/455406166.db2.gz XRIUQKHGBRTKJI-QZTJIDSGSA-N 1 0 348.487 3.458 20 70 EGIDRO C[C@@H]1CCC[N@H+](CCNC(=O)Cc2c[nH]c3ccc(Cl)cc23)C1 ZINC000159899742 455413563 /nfs/dbraw/zinc/41/35/63/455413563.db2.gz NOSJJZCGKZCMGO-CYBMUJFWSA-N 1 0 333.863 3.212 20 70 EGIDRO CC[C@@H](C(=O)N1CCC([NH2+]Cc2cccnc2)CC1)c1ccccc1 ZINC000159912869 455414092 /nfs/dbraw/zinc/41/40/92/455414092.db2.gz LMQAODUXGWBACQ-HXUWFJFHSA-N 1 0 337.467 3.356 20 70 EGIDRO CCn1cc([C@@H](C)[NH2+]CCC2CCN(CC(F)(F)F)CC2)cn1 ZINC000160007120 455422444 /nfs/dbraw/zinc/42/24/44/455422444.db2.gz ZRGFANIDKQMVEY-CYBMUJFWSA-N 1 0 332.414 3.218 20 70 EGIDRO CCCn1nccc1CNCc1cc(Br)ccc1F ZINC000160115545 455429780 /nfs/dbraw/zinc/42/97/80/455429780.db2.gz NYUPHTXOSABRMN-UHFFFAOYSA-N 1 0 326.213 3.485 20 70 EGIDRO CC[N@H+](CCNC(=O)[C@H](C)c1ccc(Br)cc1)C1CC1 ZINC000160147193 455433247 /nfs/dbraw/zinc/43/32/47/455433247.db2.gz XFLGJNWWFOCUSS-GFCCVEGCSA-N 1 0 339.277 3.153 20 70 EGIDRO C[C@@H]([NH2+]CCOc1cccc(Cl)c1)c1ccc(-n2cnnn2)cc1 ZINC000160261615 455442493 /nfs/dbraw/zinc/44/24/93/455442493.db2.gz HPVLNIPYLRIWGB-CYBMUJFWSA-N 1 0 343.818 3.045 20 70 EGIDRO CC(=O)Nc1ccccc1C[NH2+]CCc1nc2c(cccc2F)n1C ZINC000160453723 455461324 /nfs/dbraw/zinc/46/13/24/455461324.db2.gz PFXYTEFFUNUBPI-UHFFFAOYSA-N 1 0 340.402 3.003 20 70 EGIDRO CCC(CC)n1ncc(C(=O)NC[C@@H](C)C[NH+]2CCCCC2)c1C ZINC000160527240 455469279 /nfs/dbraw/zinc/46/92/79/455469279.db2.gz OWLYXYQIQOBTBM-OAHLLOKOSA-N 1 0 334.508 3.404 20 70 EGIDRO C[C@H]([NH2+]CCS(=O)(=O)c1ccc(F)cc1)c1cccc(F)c1 ZINC000160559042 455473850 /nfs/dbraw/zinc/47/38/50/455473850.db2.gz PUKSKDDXWACUTJ-LBPRGKRZSA-N 1 0 325.380 3.089 20 70 EGIDRO CC[C@@H](C)C[N@H+](CC)[C@@H](C)C(=O)NCc1ccc(OC)c(OC)c1 ZINC000160571533 455475353 /nfs/dbraw/zinc/47/53/53/455475353.db2.gz CISQFHBJNHQAMU-CABCVRRESA-N 1 0 336.476 3.077 20 70 EGIDRO CC[C@@H]1c2ccsc2CCN1C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000160636930 455483197 /nfs/dbraw/zinc/48/31/97/455483197.db2.gz VCQKDKWRRWVNAW-GDBMZVCRSA-N 1 0 333.501 3.251 20 70 EGIDRO CC[C@H](C)N(Cc1ccccc1)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000160642404 455483445 /nfs/dbraw/zinc/48/34/45/455483445.db2.gz QHNQJYCITRCPPB-LPHOPBHVSA-N 1 0 329.488 3.481 20 70 EGIDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(OCc3ccc(Cl)cc3)c2)C1 ZINC000160713745 455491224 /nfs/dbraw/zinc/49/12/24/455491224.db2.gz BOCMDWCXBUBTDH-KRWDZBQOSA-N 1 0 344.842 3.353 20 70 EGIDRO CCc1c(C(=O)NC[C@H]2CCC[N@H+](CC(C)C)C2)cnn1CC(C)C ZINC000160853920 455505631 /nfs/dbraw/zinc/50/56/31/455505631.db2.gz WUUUPHKCXRITAC-QGZVFWFLSA-N 1 0 348.535 3.199 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000160912673 455513203 /nfs/dbraw/zinc/51/32/03/455513203.db2.gz WPHWEMWQUKDQFW-SFHVURJKSA-N 1 0 332.394 3.363 20 70 EGIDRO CC[C@@H](O)CCNC(=O)NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000160946903 455516438 /nfs/dbraw/zinc/51/64/38/455516438.db2.gz MDBAUONXLMZLJI-QFBILLFUSA-N 1 0 347.503 3.021 20 70 EGIDRO Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000161030049 455526126 /nfs/dbraw/zinc/52/61/26/455526126.db2.gz GVPCVXUKOFPPRD-LXGFNABISA-N 1 0 344.499 3.188 20 70 EGIDRO COc1cc(C2(C(=O)N[C@H]3CCC[C@H]([NH3+])C3)CCCC2)ccc1C ZINC000161045942 455527242 /nfs/dbraw/zinc/52/72/42/455527242.db2.gz MJMJKCGKKAXJIP-IRXDYDNUSA-N 1 0 330.472 3.202 20 70 EGIDRO Cc1c([C@H](C)N[C@@H]2CCC[C@H]([NH+](C)C)C2)nnn1-c1ccc(F)cc1 ZINC000161082903 455531048 /nfs/dbraw/zinc/53/10/48/455531048.db2.gz CVJCQYRYCBBINH-XCRHUMRWSA-N 1 0 345.466 3.238 20 70 EGIDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)CCOc2ccc(Cl)c(Cl)c2)C1 ZINC000161095870 455533100 /nfs/dbraw/zinc/53/31/00/455533100.db2.gz JZHLCFZHLCVNII-GHMZBOCLSA-N 1 0 331.243 3.148 20 70 EGIDRO C[C@@H]1CN(C(=O)CC[C@H]([NH3+])c2ccccc2)c2ccc(F)cc2O1 ZINC000161102285 455533524 /nfs/dbraw/zinc/53/35/24/455533524.db2.gz FBSJYSKQEDQHOD-CJNGLKHVSA-N 1 0 328.387 3.420 20 70 EGIDRO CS[C@H]1CCC[C@H](NC(=O)C2(c3ccccc3)CC[NH2+]CC2)C1 ZINC000161123170 455537102 /nfs/dbraw/zinc/53/71/02/455537102.db2.gz OANNUZOJGIFCFR-IRXDYDNUSA-N 1 0 332.513 3.098 20 70 EGIDRO C[C@H]([NH2+]CCc1ccc2c(c1)OCO2)c1ccc2c(c1)OCCCO2 ZINC000161151106 455540770 /nfs/dbraw/zinc/54/07/70/455540770.db2.gz MQWJMBGFCGJRIR-AWEZNQCLSA-N 1 0 341.407 3.470 20 70 EGIDRO CCC[N@H+](CCO)Cc1cc(Br)c(OCC)c(OC)c1 ZINC000161199085 455546964 /nfs/dbraw/zinc/54/69/64/455546964.db2.gz CYLBJOWAXJHORH-UHFFFAOYSA-N 1 0 346.265 3.061 20 70 EGIDRO CCC[N@H+](CCO)Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000161197452 455547103 /nfs/dbraw/zinc/54/71/03/455547103.db2.gz PFIASTMWNPGKBE-INIZCTEOSA-N 1 0 327.852 3.102 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)c2cncc(-c3ccc(Cl)cc3)c2)C1 ZINC000161413225 455568172 /nfs/dbraw/zinc/56/81/72/455568172.db2.gz XNFRFPREQZZYHW-IRXDYDNUSA-N 1 0 329.831 3.402 20 70 EGIDRO Cc1nc(Cc2ccc(F)cc2)sc1C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000161422718 455569110 /nfs/dbraw/zinc/56/91/10/455569110.db2.gz KWYLJZCGZORQAN-GJZGRUSLSA-N 1 0 347.459 3.181 20 70 EGIDRO CNS(=O)(=O)c1cccc([C@@H](C)[NH2+][C@@H](C)c2cccc(C)c2)c1 ZINC000161493047 455575714 /nfs/dbraw/zinc/57/57/14/455575714.db2.gz NABSYGALVYTPLB-LSDHHAIUSA-N 1 0 332.469 3.315 20 70 EGIDRO Cc1ccc(Br)c(C(=O)N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)c1 ZINC000217537852 456033662 /nfs/dbraw/zinc/03/36/62/456033662.db2.gz SXNJOYLBXGHOJJ-CABCVRRESA-N 1 0 337.261 3.114 20 70 EGIDRO Cc1c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cnn1CC(C)C ZINC000159538154 533786921 /nfs/dbraw/zinc/78/69/21/533786921.db2.gz CJWZYQWPPVSPGO-SFHVURJKSA-N 1 0 346.450 3.019 20 70 EGIDRO CC(C)([NH3+])CNC(=O)[C@@H]1CC=CC[C@@H]1c1nc2ccccc2s1 ZINC000159985902 527254343 /nfs/dbraw/zinc/25/43/43/527254343.db2.gz OHIFLPNNAILBPB-OLZOCXBDSA-N 1 0 329.469 3.200 20 70 EGIDRO CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000161145112 528034281 /nfs/dbraw/zinc/03/42/81/528034281.db2.gz NKVIBFFCUCHOMY-JLTOFOAXSA-N 1 0 346.471 3.146 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)N(C)Cc1cccc(OC(F)(F)F)c1 ZINC000161260207 528649336 /nfs/dbraw/zinc/64/93/36/528649336.db2.gz YBFUORHFNLCDNW-UHFFFAOYSA-N 1 0 332.366 3.309 20 70 EGIDRO CCC(CC)n1ncc(C(=O)NCC[N@H+](C)Cc2ccccc2)c1C ZINC000160890610 282302714 /nfs/dbraw/zinc/30/27/14/282302714.db2.gz PMFKRKVBIRTCNK-UHFFFAOYSA-N 1 0 342.487 3.414 20 70 EGIDRO C[C@H](CC(=O)NC[C@H]1CCC[N@@H+]1C)c1cccc(C(F)(F)F)c1 ZINC000160127889 533658515 /nfs/dbraw/zinc/65/85/15/533658515.db2.gz WXRSHGZQJIEGSE-IUODEOHRSA-N 1 0 328.378 3.409 20 70 EGIDRO C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000160129722 225345633 /nfs/dbraw/zinc/34/56/33/225345633.db2.gz ZDUWSNWUSWKVIP-IUODEOHRSA-N 1 0 328.378 3.094 20 70 EGIDRO [NH3+]C[C@H]1CCCN1C(=O)COc1ccc(-c2ccccc2)cc1Cl ZINC000160197544 225358849 /nfs/dbraw/zinc/35/88/49/225358849.db2.gz GETHAYABPXVZEH-MRXNPFEDSA-N 1 0 344.842 3.336 20 70 EGIDRO Cc1ccc(C[NH+]2CCC(CN(C)C(=O)OC(C)(C)C)CC2)nc1 ZINC000159849269 307880873 /nfs/dbraw/zinc/88/08/73/307880873.db2.gz IHPWJTAEEYWTQV-UHFFFAOYSA-N 1 0 333.476 3.469 20 70 EGIDRO C[C@H]([NH2+]CC(=O)NCC(F)(F)F)c1ccccc1C(F)(F)F ZINC000160576514 307891895 /nfs/dbraw/zinc/89/18/95/307891895.db2.gz ULKYCNNNJQUXMG-QMMMGPOBSA-N 1 0 328.256 3.035 20 70 EGIDRO Cc1cn(-c2ccccc2Cl)nc1C(=O)N(C)CC[NH+]1CCCC1 ZINC000161365844 307901886 /nfs/dbraw/zinc/90/18/86/307901886.db2.gz RUSRDELTYSOVBG-UHFFFAOYSA-N 1 0 346.862 3.002 20 70 EGIDRO O=C(NC[C@H]1CCC[NH2+]1)c1ccc2cc(Br)ccc2c1 ZINC000159645234 455392996 /nfs/dbraw/zinc/39/29/96/455392996.db2.gz PVGQYVCWISUJHB-OAHLLOKOSA-N 1 0 333.229 3.084 20 70 EGIDRO CCOCCC1(CNC(=O)NC[C@H]2CCCC[N@@H+]2CC)CCCC1 ZINC000160101127 455428883 /nfs/dbraw/zinc/42/88/83/455428883.db2.gz CYXIDESCPCTTGS-QGZVFWFLSA-N 1 0 339.524 3.147 20 70 EGIDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)Cc1cccc(C(F)(F)F)c1 ZINC000160183821 455435250 /nfs/dbraw/zinc/43/52/50/455435250.db2.gz DIIFSWZHURLHDJ-ZDUSSCGKSA-N 1 0 330.394 3.340 20 70 EGIDRO C[C@H](N(C)C(=O)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)C1(C)CC1 ZINC000160372450 455452139 /nfs/dbraw/zinc/45/21/39/455452139.db2.gz YGXJSOQNOCPEAD-RYRKJORJSA-N 1 0 329.488 3.479 20 70 EGIDRO C[C@H](Cc1cccc(Cl)c1)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000160378771 455452665 /nfs/dbraw/zinc/45/26/65/455452665.db2.gz QHFVRZKTRHCKEA-HFTRVMKXSA-N 1 0 334.891 3.461 20 70 EGIDRO O=C(CC1([NH+]2CCOCC2)CCCC1)N[C@H]1CCCc2sccc21 ZINC000160438394 455459056 /nfs/dbraw/zinc/45/90/56/455459056.db2.gz WLNAEHBUFYKIPT-INIZCTEOSA-N 1 0 348.512 3.277 20 70 EGIDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)c1ccc(F)cc1C(F)(F)F ZINC000160684100 455487843 /nfs/dbraw/zinc/48/78/43/455487843.db2.gz LTVGPQITHXZTJX-HZMBPMFUSA-N 1 0 332.341 3.257 20 70 EGIDRO OCCC[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)c1ccccc1 ZINC000160705687 455490043 /nfs/dbraw/zinc/49/00/43/455490043.db2.gz GCMAGUBEGDQHOJ-MRXNPFEDSA-N 1 0 330.394 3.117 20 70 EGIDRO O=C(N[C@H]1CC[N@H+](CC2CC2)C1)N(Cc1ccc(Cl)cc1)C1CC1 ZINC000160760906 455496095 /nfs/dbraw/zinc/49/60/95/455496095.db2.gz XGHWDDGWYHEVCR-KRWDZBQOSA-N 1 0 347.890 3.498 20 70 EGIDRO O=C(N[C@@H]1CC[N@H+](CC2CC2)C1)N1CCCCC[C@H]1c1ccncc1 ZINC000160759421 455496243 /nfs/dbraw/zinc/49/62/43/455496243.db2.gz FQRKURFEWCKJDY-MOPGFXCFSA-N 1 0 342.487 3.193 20 70 EGIDRO COc1ccc(CC[C@H]2CCCC[N@H+]2CC(OC)OC)cc1OC ZINC000160824905 455502950 /nfs/dbraw/zinc/50/29/50/455502950.db2.gz GPFMTALIQNMHFI-MRXNPFEDSA-N 1 0 337.460 3.110 20 70 EGIDRO Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)C2(C[NH3+])CCCC2)cc1 ZINC000159532110 455383189 /nfs/dbraw/zinc/38/31/89/455383189.db2.gz FHPKITKWLLSWCX-QZTJIDSGSA-N 1 0 330.472 3.098 20 70 EGIDRO O=C(NC[C@H]1CCc2ccccc21)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000159597952 455387876 /nfs/dbraw/zinc/38/78/76/455387876.db2.gz QMGBBXCHPFQSCP-RTBURBONSA-N 1 0 341.499 3.376 20 70 EGIDRO CC1CCN(c2cccc(NC(=O)NCC3CC[NH+](C)CC3)c2)CC1 ZINC000159690724 455396689 /nfs/dbraw/zinc/39/66/89/455396689.db2.gz OFAMONLKMGEKGU-UHFFFAOYSA-N 1 0 344.503 3.386 20 70 EGIDRO CC(C)CN(C(=O)C[N@H+](CCc1nccs1)C(C)C)C(C)C ZINC000159772834 455403059 /nfs/dbraw/zinc/40/30/59/455403059.db2.gz QNFLQSPHGREOMO-UHFFFAOYSA-N 1 0 325.522 3.289 20 70 EGIDRO CCCCO[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)c3ccco3)CC2)C1(C)C ZINC000159806250 455405858 /nfs/dbraw/zinc/40/58/58/455405858.db2.gz XRIUQKHGBRTKJI-MSOLQXFVSA-N 1 0 348.487 3.458 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCC(C)(C)c2ccccc2Cl)CC1 ZINC000159815116 455406578 /nfs/dbraw/zinc/40/65/78/455406578.db2.gz WBEWRKLYOUWXPZ-UHFFFAOYSA-N 1 0 337.895 3.355 20 70 EGIDRO CC[C@H](C(=O)NCCc1ccc(-c2csc(C)n2)s1)[NH+](C)C ZINC000160107667 455429608 /nfs/dbraw/zinc/42/96/08/455429608.db2.gz JRMSBXKNHBJEPJ-CQSZACIVSA-N 1 0 337.514 3.179 20 70 EGIDRO CC[C@@H](C(=O)NCCc1ccc(-c2csc(C)n2)s1)[NH+](C)C ZINC000160107534 455429817 /nfs/dbraw/zinc/42/98/17/455429817.db2.gz JRMSBXKNHBJEPJ-AWEZNQCLSA-N 1 0 337.514 3.179 20 70 EGIDRO CC(C)c1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)cn1 ZINC000160185568 455436466 /nfs/dbraw/zinc/43/64/66/455436466.db2.gz MZRPKALRGDOTHZ-UHFFFAOYSA-N 1 0 325.456 3.409 20 70 EGIDRO COc1ccc(C(=O)C2CCN(CCC[NH+]3CCCCC3)CC2)cc1 ZINC000160407770 455456048 /nfs/dbraw/zinc/45/60/48/455456048.db2.gz IXEBCUFYHQWFFM-UHFFFAOYSA-N 1 0 344.499 3.466 20 70 EGIDRO Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)COCc2cccs2)n1 ZINC000160452654 455460919 /nfs/dbraw/zinc/46/09/19/455460919.db2.gz OHOXYEAXWYFDOD-MAUKXSAKSA-N 1 0 332.469 3.166 20 70 EGIDRO CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCc1c[nH]c2ccccc12 ZINC000160457749 455461121 /nfs/dbraw/zinc/46/11/21/455461121.db2.gz RHGHGMBWKICNQD-QGZVFWFLSA-N 1 0 327.472 3.337 20 70 EGIDRO C[NH2+][C@@H]1CCN(C(=O)c2sc(-c3ccc(Cl)s3)nc2C)C1 ZINC000160528657 455469210 /nfs/dbraw/zinc/46/92/10/455469210.db2.gz MFIFLMPHYSVDER-SECBINFHSA-N 1 0 341.889 3.267 20 70 EGIDRO c1ccc(-c2noc(C3CC[NH+](CCOCC4CC4)CC3)n2)cc1 ZINC000160587050 455477247 /nfs/dbraw/zinc/47/72/47/455477247.db2.gz NGXROXJAMNHKHA-UHFFFAOYSA-N 1 0 327.428 3.343 20 70 EGIDRO Cc1nn(CC(=O)OC(C)C)c(C)c1C[N@H+](C)Cc1ccc(C)cc1 ZINC000160637481 455483345 /nfs/dbraw/zinc/48/33/45/455483345.db2.gz BZPBICDQUSECNX-UHFFFAOYSA-N 1 0 343.471 3.392 20 70 EGIDRO [NH3+][C@H]1CC[C@@H](C(=O)N[C@@H](Cc2ccccc2)c2ccccc2F)C1 ZINC000160724719 455491721 /nfs/dbraw/zinc/49/17/21/455491721.db2.gz DGPSETODPRNRSW-GJYPPUQNSA-N 1 0 326.415 3.353 20 70 EGIDRO [NH3+][C@H]1CCC[C@H](NC(=O)CCCc2ccc(Br)s2)C1 ZINC000160901218 455510593 /nfs/dbraw/zinc/51/05/93/455510593.db2.gz HYGCLPHBBOGIHI-QWRGUYRKSA-N 1 0 345.306 3.219 20 70 EGIDRO COc1cc([C@H](C)[NH2+]Cc2ccc(C)s2)ccc1S(C)(=O)=O ZINC000160922734 455513759 /nfs/dbraw/zinc/51/37/59/455513759.db2.gz CXKYEOAOYBNDBR-LBPRGKRZSA-N 1 0 339.482 3.319 20 70 EGIDRO CS(=O)(=O)Cc1ccccc1C[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000160928254 455514757 /nfs/dbraw/zinc/51/47/57/455514757.db2.gz KZHWOGMAIKGGJW-FQEVSTJZSA-N 1 0 343.492 3.342 20 70 EGIDRO CC(C)NC(=O)C[NH2+][C@@H]1CCSc2ccc(Br)cc21 ZINC000160964628 455518553 /nfs/dbraw/zinc/51/85/53/455518553.db2.gz QQHRAXLQYRAJOP-GFCCVEGCSA-N 1 0 343.290 3.100 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)CCc2ccc(OC)c(Cl)c2)CC1 ZINC000160995917 455520942 /nfs/dbraw/zinc/52/09/42/455520942.db2.gz FDHLCRVOMRLPCV-UHFFFAOYSA-N 1 0 338.879 3.129 20 70 EGIDRO Cc1ccc(C(=O)N2CCC([NH2+][C@@H](C)c3cncc(F)c3)CC2)cc1 ZINC000161024164 455525131 /nfs/dbraw/zinc/52/51/31/455525131.db2.gz IQEBSMVYMRCMQG-HNNXBMFYSA-N 1 0 341.430 3.485 20 70 EGIDRO CS[C@H](C)CC(=O)Nc1cccc(N2CC[NH+](CC3CC3)CC2)c1 ZINC000161033455 455526015 /nfs/dbraw/zinc/52/60/15/455526015.db2.gz LHRNYSKWROUMJH-OAHLLOKOSA-N 1 0 347.528 3.299 20 70 EGIDRO CC[C@@H](C)NC(=O)c1cccc(C[NH2+][C@H](CC)c2cnn(C)c2)c1 ZINC000161049824 455527526 /nfs/dbraw/zinc/52/75/26/455527526.db2.gz XJSMKSAXNNRUGI-RDTXWAMCSA-N 1 0 328.460 3.189 20 70 EGIDRO CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccc(-c2cccc(OC)c2)cc1 ZINC000161080413 455530806 /nfs/dbraw/zinc/53/08/06/455530806.db2.gz ZBOMPAMFSPKADT-KUHUBIRLSA-N 1 0 326.440 3.352 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)c2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000161081096 455531044 /nfs/dbraw/zinc/53/10/44/455531044.db2.gz POYSLZLCRUCDIC-UHFFFAOYSA-N 1 0 346.862 3.192 20 70 EGIDRO CC[NH2+]CC1CCN(C(=O)COc2ccc(C(C)C)c(C)c2)CC1 ZINC000161115336 455536443 /nfs/dbraw/zinc/53/64/43/455536443.db2.gz QTGKDGJRRGMGIA-UHFFFAOYSA-N 1 0 332.488 3.345 20 70 EGIDRO CCC(CC)(C[NH3+])C(=O)Nc1ccc(O[C@H]2CCCC[C@@H]2O)cc1 ZINC000161233908 455551487 /nfs/dbraw/zinc/55/14/87/455551487.db2.gz SLGJYXPXLKDPCC-IRXDYDNUSA-N 1 0 334.460 3.073 20 70 EGIDRO CC[NH+](CC)[C@@H](CNC(=O)N[C@H]1CCOC(C)(C)C1)c1ccccc1 ZINC000161256476 455552776 /nfs/dbraw/zinc/55/27/76/455552776.db2.gz LEMHPRJQMKYTRR-ROUUACIJSA-N 1 0 347.503 3.326 20 70 EGIDRO CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H](C)C1CCOCC1 ZINC000161266958 455553693 /nfs/dbraw/zinc/55/36/93/455553693.db2.gz MCNWTUBONJIWCT-HOCLYGCPSA-N 1 0 328.497 3.331 20 70 EGIDRO COc1cccc([C@@H](O)C[NH2+][C@H]2CCCOc3ccc(OC)cc32)c1 ZINC000161301310 455557112 /nfs/dbraw/zinc/55/71/12/455557112.db2.gz JGNRBZKRUYYNFT-OALUTQOASA-N 1 0 343.423 3.241 20 70 EGIDRO CC(C)(C)C(=O)N1CCC(C[N@@H+]2CCc3cc(F)ccc3C2)CC1 ZINC000161371271 455563889 /nfs/dbraw/zinc/56/38/89/455563889.db2.gz WRVBUSHHLWYWSX-UHFFFAOYSA-N 1 0 332.463 3.469 20 70 EGIDRO COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCC(=O)c2ccc(C)cc2)C1 ZINC000161392968 455565558 /nfs/dbraw/zinc/56/55/58/455565558.db2.gz CLQXYKYTQNBIOH-KRWDZBQOSA-N 1 0 331.456 3.479 20 70 EGIDRO CCOc1ccc(-c2nc(C(=O)N[C@@H]3CCC[C@@H]([NH3+])C3)cs2)cc1 ZINC000161421700 455569015 /nfs/dbraw/zinc/56/90/15/455569015.db2.gz HKPVZQDHYAVDCT-ZIAGYGMSSA-N 1 0 345.468 3.209 20 70 EGIDRO CC(=O)NC1CCC([NH2+]CCOc2ccccc2C(F)(F)F)CC1 ZINC000161449580 455571371 /nfs/dbraw/zinc/57/13/71/455571371.db2.gz ZGCIGHXPTZLBFI-UHFFFAOYSA-N 1 0 344.377 3.121 20 70 EGIDRO C[C@H](c1ccccc1)N1CCC([NH2+]C2CCC3(CC2)OCCO3)CC1 ZINC000161507971 455576474 /nfs/dbraw/zinc/57/64/74/455576474.db2.gz FFIUTKLEGMIPNW-QGZVFWFLSA-N 1 0 344.499 3.487 20 70 EGIDRO COc1ccc(CN(C)C(=O)C[N@@H+]2CCC[C@H]3CCCC[C@@H]32)cc1 ZINC000216627877 456030442 /nfs/dbraw/zinc/03/04/42/456030442.db2.gz KHOCGPCRRNYPJT-MJGOQNOKSA-N 1 0 330.472 3.308 20 70 EGIDRO CC(=O)NC[C@@H]1CCC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000159729868 526770953 /nfs/dbraw/zinc/77/09/53/526770953.db2.gz ZDTDMGNQOJAPOU-ZDUSSCGKSA-N 1 0 345.270 3.220 20 70 EGIDRO CCOc1ccc2c(c1)[C@@H]([NH2+]C[C@@](C)(O)c1ccsc1)CCO2 ZINC000159948655 528621397 /nfs/dbraw/zinc/62/13/97/528621397.db2.gz XFUNLYOONOFWNQ-FUHWJXTLSA-N 1 0 333.453 3.468 20 70 EGIDRO CC[N@@H+]1CCCN(C(=O)NCc2cccc(COC(C)(C)C)c2)CC1 ZINC000159798742 529026738 /nfs/dbraw/zinc/02/67/38/529026738.db2.gz STZDGLPYKIMGFH-UHFFFAOYSA-N 1 0 347.503 3.239 20 70 EGIDRO Cc1cccc(OCC[NH2+][C@@H](CN2CCOCC2)c2ccccc2)c1 ZINC000216772464 574808811 /nfs/dbraw/zinc/80/88/11/574808811.db2.gz IPIOKCYGXWJLPJ-NRFANRHFSA-N 1 0 340.467 3.037 20 70 EGIDRO